#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gyr s PRO 38 N 0.00 4.21 -0.51 0.00 0.04 -1.26 -2.03 135.00 135.45 3gyr s PRO 38 Ca 0.00 2.40 0.00 0.00 0.04 0.00 0.00 61.00 63.44 3gyr s PRO 38 Cb 0.00 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3gyr s PRO 38 CO 0.00 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.86 3gyr n GLY 39 N 3.30 0.60 3.53 0.56 0.00 -1.26 -5.04 105.19 106.88 3gyr n GLY 39 Ca 0.12 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 3gyr n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gyr s GLU 40 N -2.95 2.47 0.32 1.61 2.02 -0.86 -4.82 118.70 116.49 3gyr s GLU 40 Ca 0.00 -0.74 -0.28 0.00 0.02 0.00 0.00 54.97 53.97 3gyr s GLU 40 Cb 0.00 -2.41 -0.09 0.00 0.10 0.00 0.00 34.13 31.73 3gyr s GLU 40 CO 0.00 0.61 1.11 -0.51 0.02 0.00 0.00 175.26 176.49 3gyr s LEU 41 N -1.09 4.42 -0.29 1.80 1.43 -1.26 -4.81 118.68 118.87 3gyr s LEU 41 Ca 0.14 2.27 -0.29 0.00 -1.03 0.00 0.00 54.13 55.22 3gyr s LEU 41 Cb -0.11 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 42.34 3gyr s LEU 41 CO 0.04 -0.31 1.11 -0.89 0.23 0.00 0.00 176.35 176.53 3gyr s THR 42 N -1.29 4.48 0.64 5.49 2.01 -1.26 -5.02 115.64 120.69 3gyr s THR 42 Ca 0.49 1.73 -0.17 0.00 0.31 0.00 0.00 61.69 64.05 3gyr s THR 42 Cb -0.30 -4.33 -0.01 0.00 0.01 0.00 0.00 72.50 67.86 3gyr s THR 42 CO 0.39 -0.40 1.17 -2.16 -0.69 0.00 0.00 174.62 172.93 3gyr s PRO 43 N 3.62 2.79 -1.10 4.92 0.04 -1.26 -3.69 135.00 140.31 3gyr s PRO 43 Ca 0.47 1.66 -0.07 0.00 0.04 0.00 0.00 61.00 63.10 3gyr s PRO 43 Cb -0.14 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.48 3gyr s PRO 43 CO 0.14 -1.31 0.96 1.19 0.04 0.00 0.00 177.00 178.02 3gyr n PHE 44 N -2.04 -2.32 0.07 0.56 0.99 0.73 -4.93 117.46 110.52 3gyr n PHE 44 Ca 0.12 0.83 0.11 0.00 -0.00 0.00 0.00 57.45 58.51 3gyr n PHE 44 Cb 0.51 -4.30 -0.05 0.00 -1.00 0.00 0.00 39.48 34.63 3gyr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3gyr n ALA 45 N -4.49 2.58 -2.74 4.37 0.00 -1.24 -4.67 120.51 114.31 3gyr n ALA 45 Ca -0.01 -0.33 -0.17 0.00 0.00 0.00 0.00 53.44 52.94 3gyr n ALA 45 Cb 0.55 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.88 3gyr n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gyr s ALA 46 N -3.39 0.96 0.54 0.00 0.00 -1.26 -4.95 121.76 113.66 3gyr s ALA 46 Ca -0.03 -0.86 -0.18 0.00 0.00 0.00 0.00 51.96 50.89 3gyr s ALA 46 Cb 0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 23.12 23.09 3gyr s ALA 46 CO 0.82 0.12 1.07 -1.25 0.00 0.00 0.00 175.76 176.52 3gyr s PRO 47 N -1.49 3.50 0.42 0.00 0.04 -1.26 -1.82 135.00 134.38 3gyr s PRO 47 Ca -0.03 1.38 -0.26 0.00 0.04 0.00 0.00 61.00 62.12 3gyr s PRO 47 Cb -0.09 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 3gyr s PRO 47 CO 0.01 -0.69 1.47 -1.17 0.04 0.00 0.00 177.00 176.66 3gyr s LEU 48 N -3.93 4.19 0.40 -3.56 2.96 0.96 -4.76 118.68 114.95 3gyr s LEU 48 Ca 0.68 3.01 0.07 0.00 -0.22 0.00 0.00 54.13 57.67 3gyr s LEU 48 Cb -0.18 -3.82 -0.07 0.00 0.50 0.00 0.00 46.19 42.62 3gyr s LEU 48 CO 0.28 -1.08 0.07 0.42 -1.32 0.00 0.00 176.35 174.72 3gyr s THR 49 N -1.16 2.17 0.04 3.68 -4.23 -1.26 -5.00 115.64 109.88 3gyr s THR 49 Ca 0.58 -1.89 0.04 0.00 -1.18 0.00 0.00 61.69 59.24 3gyr s THR 49 Cb -0.46 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.39 3gyr s THR 49 CO 0.60 -0.02 -0.12 0.68 -0.54 0.00 0.00 174.62 175.22 3gyr s VAL 50 N -2.65 0.92 0.66 2.29 -7.23 -1.26 -4.79 120.40 108.34 3gyr s VAL 50 Ca 0.37 -0.98 -0.16 0.00 -1.81 0.00 0.00 61.98 59.40 3gyr s VAL 50 Cb 0.07 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 36.14 3gyr s VAL 50 CO 0.20 -0.10 1.16 -2.84 -0.31 0.00 0.00 175.10 173.21 3gyr s PRO 51 N -1.21 2.67 0.68 4.82 0.02 -1.26 -4.96 135.00 135.75 3gyr s PRO 51 Ca -0.01 1.61 -0.17 0.00 0.02 0.00 0.00 61.00 62.44 3gyr s PRO 51 Cb -0.08 -1.91 0.01 0.00 0.02 0.00 0.00 34.50 32.54 3gyr s PRO 51 CO 0.01 -1.39 1.26 -1.25 -0.33 0.00 0.00 177.00 175.30 3gyr s PRO 52 N -3.82 2.35 -0.12 5.54 0.04 -1.26 -4.50 135.00 133.22 3gyr s PRO 52 Ca 0.72 1.96 -0.14 0.00 0.04 0.00 0.00 61.00 63.57 3gyr s PRO 52 Cb -0.25 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 3gyr s PRO 52 CO 0.40 -1.72 0.33 0.08 0.04 0.00 0.00 177.00 176.13 3gyr s VAL 53 N -1.62 5.25 -0.12 -0.36 1.01 -1.26 -1.50 120.40 121.80 3gyr s VAL 53 Ca 0.80 0.64 0.02 0.00 0.00 0.00 0.00 61.98 63.44 3gyr s VAL 53 Cb -0.34 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3gyr s VAL 53 CO 0.42 0.43 -0.19 -0.22 0.00 0.00 0.00 175.10 175.54 3gyr s LEU 54 N 0.12 2.36 -0.40 3.92 2.96 0.13 -4.94 118.68 122.82 3gyr s LEU 54 Ca 0.19 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3gyr s LEU 54 Cb -0.14 -1.50 0.11 0.00 0.50 0.00 0.00 46.19 45.16 3gyr s LEU 54 CO 0.07 0.15 0.12 -0.13 -1.32 0.00 0.00 176.35 175.24 3gyr s ARG 55 N 0.40 1.62 0.13 1.98 0.52 -1.26 -0.85 118.95 121.49 3gyr s ARG 55 Ca -0.14 -2.11 0.27 0.00 -0.52 0.00 0.00 55.73 53.22 3gyr s ARG 55 Cb -0.17 -3.20 0.86 0.00 0.52 0.00 0.00 34.95 32.96 3gyr s ARG 55 CO 0.07 -1.00 1.75 -0.35 0.02 0.00 0.00 175.30 175.78 3gyr n PRO 56 N 3.87 0.17 -1.77 3.54 -0.04 -1.26 -4.90 135.00 134.61 3gyr n PRO 56 Ca 0.04 0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.21 3gyr n PRO 56 Cb 0.39 -1.69 -0.03 0.00 -0.04 0.00 0.00 33.50 32.13 3gyr n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gyr s ALA 57 N -3.07 3.85 0.31 0.55 0.00 -1.26 -4.90 121.76 117.24 3gyr s ALA 57 Ca 0.11 1.49 0.03 0.00 0.00 0.00 0.00 51.96 53.59 3gyr s ALA 57 Cb 0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3gyr s ALA 57 CO 0.60 -0.99 0.13 -1.54 0.00 0.00 0.00 175.76 173.96 3gyr s SER 58 N 1.65 1.74 0.21 0.00 1.04 -1.26 -5.06 113.70 112.02 3gyr s SER 58 Ca 0.75 -1.51 -0.00 0.00 0.48 0.00 0.00 55.95 55.67 3gyr s SER 58 Cb -0.47 0.30 0.18 0.00 0.10 0.00 0.00 66.02 66.12 3gyr s SER 58 CO 0.33 -0.83 1.54 0.44 0.98 0.00 0.00 173.24 175.70 3gyr h ASP 59 N 2.18 0.50 -3.27 7.02 3.32 -1.98 -3.40 116.42 120.78 3gyr h ASP 59 Ca -0.36 -0.27 -0.74 0.00 0.02 0.00 0.00 57.03 55.69 3gyr h ASP 59 Cb 1.25 -0.14 -0.22 0.00 0.22 0.00 0.00 39.33 40.43 3gyr h ASP 59 CO 0.57 0.95 -0.29 -1.61 -1.72 0.00 0.00 179.24 177.13 3gyr s GLU 60 N -3.95 2.99 0.59 3.56 2.02 -1.26 -4.94 118.70 117.70 3gyr s GLU 60 Ca -0.06 -1.36 0.29 0.00 0.02 0.00 0.00 54.97 53.85 3gyr s GLU 60 Cb 0.12 -4.15 1.77 0.00 0.10 0.00 0.00 34.13 31.97 3gyr s GLU 60 CO 0.82 -1.08 2.22 -0.24 0.02 0.00 0.00 175.26 177.01 3gyr h VAL 61 N 5.78 0.53 0.00 2.63 3.04 -1.91 -1.98 116.25 124.34 3gyr h VAL 61 Ca -0.29 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 3gyr h VAL 61 Cb 1.11 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 3gyr h VAL 61 CO 0.90 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.81 3gyr n THR 62 N -3.86 0.05 -3.00 3.17 -2.24 -1.26 -4.45 114.28 102.69 3gyr n THR 62 Ca -0.02 0.01 -0.44 0.00 -2.27 0.00 0.00 64.05 61.33 3gyr n THR 62 Cb 0.13 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 3gyr n THR 62 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3gyr s ARG 63 N -2.70 3.17 0.64 -0.78 3.52 -0.75 -5.04 118.95 117.02 3gyr s ARG 63 Ca 0.23 -1.24 -0.16 0.00 -0.13 0.00 0.00 55.73 54.43 3gyr s ARG 63 Cb 0.19 -4.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.22 3gyr s ARG 63 CO 0.46 -1.67 1.12 -1.21 -0.81 0.00 0.00 175.30 173.19 3gyr s GLU 64 N 3.12 2.86 -0.29 5.12 2.02 -1.26 -4.84 118.70 125.42 3gyr s GLU 64 Ca 0.19 1.46 -0.16 0.00 0.02 0.00 0.00 54.97 56.48 3gyr s GLU 64 Cb -0.18 -1.95 -0.02 0.00 0.10 0.00 0.00 34.13 32.07 3gyr s GLU 64 CO 0.05 -1.21 0.44 0.99 0.02 0.00 0.00 175.26 175.54 3gyr s THR 65 N -2.19 5.11 -0.03 3.63 2.01 -0.43 -4.92 115.64 118.82 3gyr s THR 65 Ca 0.69 0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 3gyr s THR 65 Cb -0.22 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 3gyr s THR 65 CO 0.39 0.03 1.05 -0.70 -0.69 0.00 0.00 174.62 174.70 3gyr s GLU 66 N 2.19 4.47 -0.33 4.92 2.12 -1.26 -1.68 118.70 129.13 3gyr s GLU 66 Ca 0.17 1.49 -0.02 0.00 0.36 0.00 0.00 54.97 56.97 3gyr s GLU 66 Cb -0.16 -3.48 0.07 0.00 0.26 0.00 0.00 34.13 30.82 3gyr s GLU 66 CO 0.11 -0.21 0.07 0.42 -0.54 0.00 0.00 175.26 175.10 3gyr s ILE 67 N 1.49 3.14 -0.25 -3.70 1.01 -0.21 -4.94 121.20 117.74 3gyr s ILE 67 Ca 0.52 -1.55 -0.14 0.00 0.00 0.00 0.00 60.65 59.48 3gyr s ILE 67 Cb -0.22 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3gyr s ILE 67 CO 0.24 -0.28 0.34 0.00 0.00 0.00 0.00 174.94 175.24 3gyr s ALA 68 N 1.23 3.57 -0.03 9.38 0.00 -1.26 -1.10 121.76 133.54 3gyr s ALA 68 Ca -0.01 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 3gyr s ALA 68 Cb -0.20 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 3gyr s ALA 68 CO -0.02 -0.51 1.22 -0.51 0.00 0.00 0.00 175.76 175.94 3gyr s LEU 69 N 1.76 4.30 0.01 0.00 1.02 0.53 0.51 118.68 126.80 3gyr s LEU 69 Ca 0.14 1.87 -0.00 0.00 0.02 0.00 0.00 54.13 56.16 3gyr s LEU 69 Cb -0.15 -3.56 -0.01 0.00 0.02 0.00 0.00 46.19 42.49 3gyr s LEU 69 CO 0.09 -0.58 -0.01 -0.13 0.02 0.00 0.00 176.35 175.74 3gyr s ARG 70 N 2.05 0.16 0.69 1.70 0.52 -0.72 -0.87 118.95 122.49 3gyr s ARG 70 Ca 0.57 -0.29 -0.17 0.00 -0.52 0.00 0.00 55.73 55.32 3gyr s ARG 70 Cb -0.26 0.06 0.01 0.00 0.52 0.00 0.00 34.95 35.28 3gyr s ARG 70 CO 0.24 -0.03 1.25 -1.25 0.02 0.00 0.00 175.30 175.53 3gyr s PRO 71 N -0.72 2.35 0.06 3.54 0.04 -1.26 -1.54 135.00 137.46 3gyr s PRO 71 Ca -0.08 1.93 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 3gyr s PRO 71 Cb -0.05 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.69 3gyr s PRO 71 CO -0.00 -1.72 0.41 -0.08 0.04 0.00 0.00 177.00 175.65 3gyr s THR 72 N -1.66 0.06 -0.22 1.26 -1.32 0.93 -4.84 115.64 109.85 3gyr s THR 72 Ca 0.79 -0.48 -0.07 0.00 -1.21 0.00 0.00 61.69 60.72 3gyr s THR 72 Cb -0.34 -0.99 -0.03 0.00 -1.51 0.00 0.00 72.50 69.64 3gyr s THR 72 CO 0.42 -0.27 0.04 0.26 -2.21 0.00 0.00 174.62 172.87 3gyr s TRP 73 N -2.69 3.09 -0.12 9.09 0.52 -1.26 -0.44 118.94 127.13 3gyr s TRP 73 Ca -0.04 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.73 3gyr s TRP 73 Cb -0.00 -2.17 -0.01 0.00 -1.15 0.00 0.00 33.47 30.15 3gyr s TRP 73 CO -0.04 -0.26 -0.19 0.08 0.02 0.00 0.00 176.95 176.56 3gyr s VAL 74 N 1.25 2.48 -0.84 4.03 1.01 -0.18 -4.85 120.40 123.30 3gyr s VAL 74 Ca 0.04 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 3gyr s VAL 74 Cb -0.15 -2.00 0.11 0.00 0.00 0.00 0.00 36.38 34.35 3gyr s VAL 74 CO 0.03 0.54 1.08 -0.60 0.00 0.00 0.00 175.10 176.15 3gyr s ARG 75 N 0.38 3.43 0.45 2.72 6.06 -1.26 -0.10 118.95 130.62 3gyr s ARG 75 Ca -0.15 -1.43 0.12 0.00 -2.50 0.00 0.00 55.73 51.77 3gyr s ARG 75 Cb -0.17 -4.71 1.03 0.00 0.06 0.00 0.00 34.95 31.16 3gyr s ARG 75 CO 0.07 -1.80 2.05 -0.07 -2.50 0.00 0.00 175.30 173.05 3gyr h LEU 76 N 10.81 0.31 -7.00 -0.88 3.38 -1.84 -3.46 115.31 116.64 3gyr h LEU 76 Ca 0.01 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3gyr h LEU 76 Cb 1.04 -0.07 -0.24 0.00 0.09 0.00 0.00 40.66 41.48 3gyr h LEU 76 CO 1.15 0.21 0.31 -2.28 0.09 0.00 0.00 178.44 177.92 3gyr s HIS 77 N -5.34 -0.61 0.45 1.13 5.04 -1.26 -1.04 115.29 113.65 3gyr s HIS 77 Ca -0.07 1.47 0.17 0.00 -1.54 0.00 0.00 55.06 55.09 3gyr s HIS 77 Cb 0.18 0.33 1.11 0.00 0.04 0.00 0.00 32.58 34.24 3gyr s HIS 77 CO 0.72 -0.30 1.95 -1.35 -2.34 0.00 0.00 174.74 173.42 3gyr h PRO 78 N 4.49 0.33 -0.21 2.88 0.11 -1.92 0.47 132.00 138.14 3gyr h PRO 78 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3gyr h PRO 78 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3gyr h PRO 78 CO 0.09 0.22 0.00 1.04 -0.21 0.00 0.00 178.00 179.14 3gyr n GLN 79 N -4.46 1.51 -4.26 1.05 6.02 -1.26 -4.80 117.38 111.19 3gyr n GLN 79 Ca 0.12 -0.80 -0.24 0.00 -0.01 0.00 0.00 57.00 56.08 3gyr n GLN 79 Cb 0.51 -1.20 -0.07 0.00 1.02 0.00 0.00 30.24 30.50 3gyr n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gyr s LEU 80 N -1.08 3.27 0.84 1.08 1.43 0.17 -5.05 118.68 119.34 3gyr s LEU 80 Ca 0.17 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 3gyr s LEU 80 Cb 0.09 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.57 3gyr s LEU 80 CO 0.12 0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.65 3gyr s PRO 81 N -3.49 1.72 0.71 1.29 0.04 -1.26 -4.75 135.00 129.25 3gyr s PRO 81 Ca 0.30 0.97 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 3gyr s PRO 81 Cb -0.07 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3gyr s PRO 81 CO 0.20 -1.96 1.02 -2.30 0.04 0.00 0.00 177.00 174.00 3gyr n PRO 82 N -3.71 0.59 -4.60 0.56 -0.02 -1.26 -4.70 135.00 121.86 3gyr n PRO 82 Ca 0.08 0.26 -0.33 0.00 -2.02 0.00 0.00 63.50 61.49 3gyr n PRO 82 Cb 0.54 -2.27 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 3gyr n PRO 82 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gyr s THR 83 N -1.76 2.80 0.18 3.45 2.01 0.85 -4.81 115.64 118.36 3gyr s THR 83 Ca 0.75 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 61.71 3gyr s THR 83 Cb -0.35 -2.18 -0.09 0.00 0.01 0.00 0.00 72.50 69.88 3gyr s THR 83 CO 0.49 0.51 1.45 -0.22 -0.69 0.00 0.00 174.62 176.16 3gyr s LEU 84 N 0.69 4.38 0.21 4.42 2.96 -1.26 -1.01 118.68 129.06 3gyr s LEU 84 Ca -0.07 2.52 -0.06 0.00 -0.22 0.00 0.00 54.13 56.31 3gyr s LEU 84 Cb -0.16 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 3gyr s LEU 84 CO 0.02 -0.71 0.26 -0.04 -1.32 0.00 0.00 176.35 174.56 3gyr s MET 85 N 0.59 1.30 -0.17 1.98 -1.94 0.41 -4.80 119.30 116.67 3gyr s MET 85 Ca 0.64 -1.45 -0.04 0.00 -1.71 0.00 0.00 55.69 53.13 3gyr s MET 85 Cb -0.40 0.34 -0.02 0.00 2.01 0.00 0.00 34.83 36.76 3gyr s MET 85 CO 0.35 -0.47 -0.04 -1.58 -0.01 0.00 0.00 175.02 173.27 3gyr s TRP 86 N -4.09 2.99 0.03 -0.03 0.51 -0.24 -0.05 118.94 118.07 3gyr s TRP 86 Ca 0.31 -0.44 0.05 0.00 -2.12 0.00 0.00 56.10 53.90 3gyr s TRP 86 Cb 0.04 -1.99 -0.02 0.00 -0.81 0.00 0.00 33.47 30.69 3gyr s TRP 86 CO 0.09 -0.15 -0.14 0.20 -0.51 0.00 0.00 176.95 176.44 3gyr s GLY 87 N 0.62 0.79 0.14 0.98 0.00 -0.59 -3.13 107.32 106.13 3gyr s GLY 87 Ca -0.03 -0.81 -0.31 0.00 0.00 0.00 0.00 44.72 43.57 3gyr s GLY 87 CO 0.02 -0.78 1.36 -0.19 0.00 0.00 0.00 173.10 173.52 3gyr s TYR 88 N -0.80 3.25 -0.69 1.90 2.02 -1.14 -1.25 117.35 120.64 3gyr s TYR 88 Ca 0.02 1.04 0.00 0.00 -0.37 0.00 0.00 57.07 57.76 3gyr s TYR 88 Cb -0.08 -3.66 0.00 0.00 -0.40 0.00 0.00 41.96 37.83 3gyr s TYR 88 CO 0.01 -2.22 0.00 -0.25 -1.57 0.00 0.00 175.55 171.52 3gyr n ASP 89 N 3.56 -2.72 -0.94 2.29 8.00 0.18 -1.16 116.55 125.76 3gyr n ASP 89 Ca 0.10 0.29 -0.12 0.00 0.71 0.00 0.00 54.79 55.77 3gyr n ASP 89 Cb 0.42 -2.41 -0.05 0.00 -0.02 0.00 0.00 41.12 39.06 3gyr n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gyr n GLY 90 N -0.62 1.32 3.52 0.44 0.00 -0.38 -4.98 105.19 104.50 3gyr n GLY 90 Ca -0.09 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 3gyr n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gyr s GLN 91 N -3.00 2.35 -0.14 1.61 -1.52 -0.31 -4.79 119.66 113.86 3gyr s GLN 91 Ca 0.00 -0.82 -0.01 0.00 -1.95 0.00 0.00 55.36 52.58 3gyr s GLN 91 Cb 0.00 -2.36 0.03 0.00 -0.22 0.00 0.00 33.01 30.47 3gyr s GLN 91 CO 0.00 0.58 -0.06 0.08 -0.25 0.00 0.00 175.29 175.64 3gyr s VAL 92 N -0.93 1.04 0.98 1.09 1.01 -1.26 -2.88 120.40 119.45 3gyr s VAL 92 Ca 0.15 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 3gyr s VAL 92 Cb -0.11 -1.14 0.18 0.00 0.00 0.00 0.00 36.38 35.31 3gyr s VAL 92 CO 0.06 0.25 1.08 -2.84 0.00 0.00 0.00 175.10 173.65 3gyr s PRO 93 N 1.68 0.56 1.12 2.72 0.02 -1.26 -4.35 135.00 135.50 3gyr s PRO 93 Ca 0.03 0.85 -0.13 0.00 0.02 0.00 0.00 61.00 61.77 3gyr s PRO 93 Cb -0.14 -1.73 0.23 0.00 0.02 0.00 0.00 34.50 32.88 3gyr s PRO 93 CO -0.08 -2.73 0.83 0.41 -0.33 0.00 0.00 177.00 175.10 3gyr n GLY 94 N -0.52 -1.86 3.67 0.52 0.00 0.88 -4.84 105.19 103.04 3gyr n GLY 94 Ca 0.06 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 3gyr n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gyr n PRO 95 N -4.21 1.35 -2.29 1.61 -0.02 -1.26 -4.55 135.00 125.63 3gyr n PRO 95 Ca 0.04 0.50 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 3gyr n PRO 95 Cb 0.55 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 3gyr n PRO 95 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gyr s THR 96 N -1.36 3.92 0.03 3.45 2.01 -0.56 -4.29 115.64 118.85 3gyr s THR 96 Ca 0.71 1.03 -0.25 0.00 0.31 0.00 0.00 61.69 63.48 3gyr s THR 96 Cb -0.45 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 3gyr s THR 96 CO 0.50 -0.45 0.79 -0.63 -0.69 0.00 0.00 174.62 174.14 3gyr s ILE 97 N 4.90 4.76 -0.10 1.82 1.01 -0.60 -0.70 121.20 132.31 3gyr s ILE 97 Ca 0.63 1.67 0.02 0.00 0.00 0.00 0.00 60.65 62.97 3gyr s ILE 97 Cb -0.19 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.15 3gyr s ILE 97 CO 0.27 0.34 -0.17 -0.70 0.00 0.00 0.00 174.94 174.68 3gyr s GLU 98 N 0.11 2.32 0.10 2.79 2.12 -0.03 0.27 118.70 126.38 3gyr s GLU 98 Ca 0.40 -0.61 -0.01 0.00 0.36 0.00 0.00 54.97 55.11 3gyr s GLU 98 Cb -0.20 -1.88 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 3gyr s GLU 98 CO 0.23 0.02 0.01 0.14 -0.54 0.00 0.00 175.26 175.12 3gyr s VAL 99 N 0.73 0.24 -0.05 3.70 -7.23 -0.78 -4.29 120.40 112.72 3gyr s VAL 99 Ca -0.12 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 3gyr s VAL 99 Cb -0.16 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 3gyr s VAL 99 CO 0.02 -0.70 0.16 -0.13 -0.31 0.00 0.00 175.10 174.14 3gyr s ARG 100 N -3.97 3.43 -0.31 4.82 0.52 -1.26 -0.85 118.95 121.33 3gyr s ARG 100 Ca 0.17 -0.25 -0.44 0.00 -0.52 0.00 0.00 55.73 54.69 3gyr s ARG 100 Cb 0.07 -3.12 -0.19 0.00 0.52 0.00 0.00 34.95 32.23 3gyr s ARG 100 CO -0.03 0.72 1.45 -2.13 0.02 0.00 0.00 175.30 175.33 3gyr n ARG 101 N 1.37 0.18 0.00 3.54 0.63 0.99 -1.13 116.66 122.24 3gyr n ARG 101 Ca -0.15 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 3gyr n ARG 101 Cb 0.54 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.85 3gyr n ARG 101 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gyr n GLY 102 N 3.25 1.02 3.55 5.14 0.00 0.16 -4.97 105.19 113.34 3gyr n GLY 102 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 3gyr n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gyr s GLN 103 N -1.00 2.79 0.09 1.61 -0.21 -0.29 -4.92 119.66 117.73 3gyr s GLN 103 Ca 0.00 -0.01 -0.31 0.00 0.02 0.00 0.00 55.36 55.06 3gyr s GLN 103 Cb 0.00 -4.70 -0.10 0.00 1.00 0.00 0.00 33.01 29.21 3gyr s GLN 103 CO 0.00 -2.82 1.89 0.50 -2.12 0.00 0.00 175.29 172.75 3gyr s ARG 104 N 6.62 4.14 -0.01 2.91 3.52 -1.25 -4.62 118.95 130.26 3gyr s ARG 104 Ca 0.61 2.61 0.04 0.00 -0.13 0.00 0.00 55.73 58.86 3gyr s ARG 104 Cb -0.09 -3.84 -0.01 0.00 -1.56 0.00 0.00 34.95 29.45 3gyr s ARG 104 CO 0.09 -0.89 -0.14 0.08 -0.81 0.00 0.00 175.30 173.63 3gyr s VAL 105 N 3.50 1.07 -0.10 7.11 1.01 -0.50 -4.74 120.40 127.74 3gyr s VAL 105 Ca 0.84 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.26 3gyr s VAL 105 Cb -0.45 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.04 3gyr s VAL 105 CO 0.39 0.29 -0.22 -0.13 0.00 0.00 0.00 175.10 175.42 3gyr s ARG 106 N -0.36 2.84 -0.05 2.72 0.52 -1.26 -0.39 118.95 122.97 3gyr s ARG 106 Ca 0.05 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 54.50 3gyr s ARG 106 Cb -0.05 -2.19 -0.00 0.00 0.52 0.00 0.00 34.95 33.22 3gyr s ARG 106 CO -0.00 0.11 -0.19 0.42 0.02 0.00 0.00 175.30 175.66 3gyr s ILE 107 N 0.50 1.56 -0.51 1.52 1.01 0.78 -1.31 121.20 124.75 3gyr s ILE 107 Ca -0.16 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 59.56 3gyr s ILE 107 Cb -0.17 -1.34 0.11 0.00 0.01 0.00 0.00 42.46 41.07 3gyr s ILE 107 CO 0.06 0.45 0.44 0.00 0.00 0.00 0.00 174.94 175.88 3gyr s ALA 108 N 0.05 3.58 -0.68 9.38 0.00 -0.67 -0.47 121.76 132.94 3gyr s ALA 108 Ca -0.05 -2.40 -0.26 0.00 0.00 0.00 0.00 51.96 49.25 3gyr s ALA 108 Cb -0.12 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 19.90 3gyr s ALA 108 CO 0.03 -1.91 1.19 -1.58 0.00 0.00 0.00 175.76 173.49 3gyr s TRP 109 N 1.57 2.44 -0.18 0.00 0.52 0.76 -1.04 118.94 123.02 3gyr s TRP 109 Ca 0.04 -0.04 -0.01 0.00 0.02 0.00 0.00 56.10 56.10 3gyr s TRP 109 Cb -0.28 -4.51 -0.00 0.00 -1.15 0.00 0.00 33.47 27.53 3gyr s TRP 109 CO 0.04 -1.86 -0.12 0.99 0.02 0.00 0.00 176.95 176.01 3gyr s THR 110 N 5.19 2.83 -0.57 2.01 2.01 -0.26 -0.60 115.64 126.24 3gyr s THR 110 Ca 0.34 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 61.38 3gyr s THR 110 Cb -0.10 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.22 3gyr s THR 110 CO 0.16 0.49 1.10 0.21 -0.69 0.00 0.00 174.62 175.90 3gyr s ASN 111 N 1.10 6.41 -0.27 3.53 3.84 -0.59 -0.35 114.94 128.62 3gyr s ASN 111 Ca 0.00 -0.04 0.09 0.00 0.21 0.00 0.00 52.86 53.12 3gyr s ASN 111 Cb -0.14 -2.51 0.46 0.00 -0.55 0.00 0.00 41.25 38.50 3gyr s ASN 111 CO -0.03 -1.39 1.32 0.54 -2.79 0.00 0.00 177.10 174.74 3gyr n ARG 112 N 8.09 2.17 -3.09 0.43 5.12 -0.05 -0.05 116.66 129.28 3gyr n ARG 112 Ca 0.06 -3.48 -0.44 0.00 -1.93 0.00 0.00 57.85 52.07 3gyr n ARG 112 Cb 0.48 -1.86 -0.06 0.00 -1.16 0.00 0.00 32.46 29.87 3gyr n ARG 112 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3gyr s ILE 113 N -3.62 4.78 0.47 0.55 1.01 -1.14 -4.65 121.20 118.59 3gyr s ILE 113 Ca 0.44 -0.37 -0.23 0.00 0.00 0.00 0.00 60.65 60.49 3gyr s ILE 113 Cb 0.40 -4.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.42 3gyr s ILE 113 CO -0.02 -0.88 1.07 -2.65 0.00 0.00 0.00 174.94 172.46 3gyr n PRO 114 N 6.43 1.40 -1.72 2.79 -0.02 -1.26 -4.53 135.00 138.09 3gyr n PRO 114 Ca -0.05 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.55 3gyr n PRO 114 Cb 0.46 -2.17 0.04 0.00 -0.02 0.00 0.00 33.50 31.81 3gyr n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gyr n LYS 115 N -0.18 1.52 -0.12 -0.52 5.02 -1.26 -1.92 118.16 120.71 3gyr n LYS 115 Ca 0.10 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 3gyr n LYS 115 Cb 0.41 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 3gyr n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gyr n GLY 116 N 0.86 1.49 3.76 0.72 0.00 -1.26 -5.02 105.19 105.74 3gyr n GLY 116 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3gyr n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gyr s SER 117 N -3.09 6.64 0.13 1.61 0.01 -0.81 -4.93 113.70 113.27 3gyr s SER 117 Ca 0.00 2.76 -0.31 0.00 1.31 0.00 0.00 55.95 59.71 3gyr s SER 117 Cb 0.00 -2.65 -0.10 0.00 0.21 0.00 0.00 66.02 63.48 3gyr s SER 117 CO 0.00 -0.66 1.73 -0.70 0.41 0.00 0.00 173.24 174.02 3gyr s GLU 118 N -1.41 4.16 0.04 12.44 2.56 -1.26 -4.90 118.70 130.33 3gyr s GLU 118 Ca 0.53 2.50 -0.30 0.00 0.00 0.00 0.00 54.97 57.70 3gyr s GLU 118 Cb -0.42 -3.43 -0.06 0.00 2.00 0.00 0.00 34.13 32.22 3gyr s GLU 118 CO 0.52 -0.77 1.38 -0.47 -0.56 0.00 0.00 175.26 175.36 3gyr s TYR 119 N 2.19 3.01 0.15 5.30 5.04 -1.26 -4.93 117.35 126.85 3gyr s TYR 119 Ca 0.77 0.90 0.27 0.00 -2.44 0.00 0.00 57.07 56.56 3gyr s TYR 119 Cb -0.45 -3.64 1.07 0.00 0.35 0.00 0.00 41.96 39.29 3gyr s TYR 119 CO 0.34 -2.31 1.89 -1.35 -1.34 0.00 0.00 175.55 172.77 3gyr h PRO 120 N 7.46 0.00 -5.32 4.97 0.11 -1.93 -3.43 132.00 133.86 3gyr h PRO 120 Ca -0.39 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.07 3gyr h PRO 120 Cb 1.19 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.07 3gyr h PRO 120 CO 0.88 0.16 -0.70 0.08 -0.21 0.00 0.00 178.00 178.21 3gyr s VAL 121 N -3.70 3.57 -0.11 3.15 1.01 -1.26 -4.14 120.40 118.92 3gyr s VAL 121 Ca 0.00 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 3gyr s VAL 121 Cb 0.10 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3gyr s VAL 121 CO 0.61 0.51 0.45 -0.89 0.00 0.00 0.00 175.10 175.78 3gyr s THR 122 N 0.33 5.18 -0.14 3.92 2.01 -0.46 -4.70 115.64 121.78 3gyr s THR 122 Ca -0.07 0.90 -0.01 0.00 0.31 0.00 0.00 61.69 62.82 3gyr s THR 122 Cb -0.15 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 3gyr s THR 122 CO 0.04 0.36 -0.10 -0.55 -0.69 0.00 0.00 174.62 173.68 3gyr s SER 123 N 0.43 4.27 0.11 3.53 0.15 -1.26 0.12 113.70 121.05 3gyr s SER 123 Ca 0.25 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.67 3gyr s SER 123 Cb -0.15 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 3gyr s SER 123 CO 0.10 0.16 -0.11 0.68 1.20 0.00 0.00 173.24 175.27 3gyr s VAL 124 N 0.39 1.03 -0.13 4.45 -7.23 -0.46 -0.54 120.40 117.92 3gyr s VAL 124 Ca -0.08 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 3gyr s VAL 124 Cb -0.15 -1.45 -0.01 0.00 0.56 0.00 0.00 36.38 35.33 3gyr s VAL 124 CO 0.04 -0.55 -0.17 -1.61 -0.31 0.00 0.00 175.10 172.50 3gyr s GLU 125 N -2.88 3.25 0.06 4.82 2.02 -1.26 -1.99 118.70 122.72 3gyr s GLU 125 Ca 0.07 -0.75 0.07 0.00 0.02 0.00 0.00 54.97 54.38 3gyr s GLU 125 Cb -0.03 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 3gyr s GLU 125 CO 0.01 0.14 -0.14 0.14 0.02 0.00 0.00 175.26 175.43 3gyr s VAL 126 N 0.50 3.09 0.95 2.63 -7.23 0.11 -4.88 120.40 115.57 3gyr s VAL 126 Ca -0.11 -1.19 -0.10 0.00 -1.81 0.00 0.00 61.98 58.76 3gyr s VAL 126 Cb -0.16 -2.37 0.17 0.00 0.56 0.00 0.00 36.38 34.57 3gyr s VAL 126 CO 0.05 0.25 1.13 -2.84 -0.31 0.00 0.00 175.10 173.38 3gyr s PRO 127 N -1.75 0.72 0.11 4.82 0.02 -1.26 -0.23 135.00 137.43 3gyr s PRO 127 Ca 0.17 1.47 -0.31 0.00 0.02 0.00 0.00 61.00 62.35 3gyr s PRO 127 Cb -0.11 -1.70 -0.11 0.00 0.02 0.00 0.00 34.50 32.60 3gyr s PRO 127 CO 0.09 -2.81 1.50 -0.07 -0.33 0.00 0.00 177.00 175.38 3gyr h LEU 128 N -2.00 -1.61 0.00 -5.54 3.38 -1.93 -3.44 115.31 104.18 3gyr h LEU 128 Ca -0.46 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3gyr h LEU 128 Cb 1.28 0.64 0.00 0.00 0.09 0.00 0.00 40.66 42.66 3gyr h LEU 128 CO 0.42 -0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3gyr n GLY 129 N -1.38 -1.84 3.70 0.83 0.00 -1.26 -4.48 105.19 100.76 3gyr n GLY 129 Ca -0.05 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 3gyr n GLY 129 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gyr n PRO 130 N -1.36 2.20 -1.69 1.61 -0.02 -1.26 -4.94 135.00 129.53 3gyr n PRO 130 Ca 0.00 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 61.92 3gyr n PRO 130 Cb 0.00 -2.41 0.06 0.00 -0.02 0.00 0.00 33.50 31.13 3gyr n PRO 130 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3gyr s PRO 131 N -1.30 2.61 0.00 0.52 0.02 -1.26 -2.68 135.00 132.91 3gyr s PRO 131 Ca 0.60 1.56 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3gyr s PRO 131 Cb -0.58 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.03 3gyr s PRO 131 CO 0.57 -1.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 3gyr n GLY 132 N -0.08 0.43 3.79 0.52 0.00 -1.26 -5.02 105.19 103.58 3gyr n GLY 132 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3gyr n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gyr s THR 133 N -2.22 4.30 0.14 2.61 -4.23 -1.09 -5.06 115.64 110.09 3gyr s THR 133 Ca 0.00 -1.41 -0.35 0.00 -1.18 0.00 0.00 61.69 58.75 3gyr s THR 133 Cb 0.00 -3.30 -0.15 0.00 1.34 0.00 0.00 72.50 70.39 3gyr s THR 133 CO 0.00 -0.30 1.42 -2.65 -0.54 0.00 0.00 174.62 172.55 3gyr n PRO 134 N -0.96 1.62 -1.45 3.99 -0.02 -1.26 -4.91 135.00 132.01 3gyr n PRO 134 Ca -0.08 0.58 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 3gyr n PRO 134 Cb 0.57 -2.26 0.05 0.00 -0.02 0.00 0.00 33.50 31.84 3gyr n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gyr n ALA 135 N 2.68 -0.87 0.35 3.55 0.00 -1.26 -4.89 120.51 120.07 3gyr n ALA 135 Ca 0.17 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.66 3gyr n ALA 135 Cb 0.25 -1.91 0.55 0.00 0.00 0.00 0.00 19.45 18.34 3gyr n ALA 135 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3gyr h PRO 136 N 0.13 0.00 0.00 0.00 0.11 -1.89 -2.17 132.00 128.18 3gyr h PRO 136 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gyr h PRO 136 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3gyr h PRO 136 CO 0.47 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.53 3gyr n ASN 137 N -2.41 0.00 -0.27 -2.05 0.23 -1.26 -1.67 115.26 107.82 3gyr n ASN 137 Ca 0.01 -1.67 0.11 0.00 -0.53 0.00 0.00 54.58 52.50 3gyr n ASN 137 Cb 0.22 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.88 3gyr n ASN 137 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3gyr n THR 138 N -0.55 0.00 -4.27 5.53 -1.04 -0.82 -3.99 114.28 109.14 3gyr n THR 138 Ca 0.02 -0.14 -0.19 0.00 -2.04 0.00 0.00 64.05 61.70 3gyr n THR 138 Cb 0.01 1.11 -0.11 0.00 -1.82 0.00 0.00 70.33 69.52 3gyr n THR 138 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gyr s GLU 139 N -2.71 1.09 0.90 -2.82 2.02 -0.67 -4.74 118.70 111.77 3gyr s GLU 139 Ca 0.14 -1.27 -0.12 0.00 0.02 0.00 0.00 54.97 53.73 3gyr s GLU 139 Cb 0.17 -1.05 0.13 0.00 0.10 0.00 0.00 34.13 33.49 3gyr s GLU 139 CO 0.70 0.21 1.13 -1.25 0.02 0.00 0.00 175.26 176.07 3gyr s PRO 140 N -2.64 1.20 0.00 0.39 0.04 -1.26 -4.94 135.00 127.78 3gyr s PRO 140 Ca 0.10 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.46 3gyr s PRO 140 Cb -0.05 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3gyr s PRO 140 CO 0.04 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.33 3gyr n GLY 141 N -2.18 -1.34 0.26 0.56 0.00 0.16 -4.75 105.19 97.90 3gyr n GLY 141 Ca 0.07 -1.57 0.14 0.00 0.00 0.00 0.00 46.02 44.65 3gyr n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gyr n ARG 142 N -1.03 1.11 -3.47 1.61 1.74 -1.26 -4.91 116.66 110.44 3gyr n ARG 142 Ca 0.00 -0.51 -0.25 0.00 -0.77 0.00 0.00 57.85 56.32 3gyr n ARG 142 Cb 0.00 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.00 3gyr n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gyr n GLY 143 N 1.22 -0.52 2.76 -0.13 0.00 -1.26 -1.44 105.19 105.80 3gyr n GLY 143 Ca 0.17 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3gyr n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 144 N -1.71 1.87 3.72 -0.02 0.00 -1.26 -5.01 105.19 102.78 3gyr n GLY 144 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3gyr n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyr s VAL 145 N -3.38 5.04 0.46 1.61 1.01 -0.52 -5.04 120.40 119.58 3gyr s VAL 145 Ca 0.00 1.40 -0.21 0.00 0.00 0.00 0.00 61.98 63.16 3gyr s VAL 145 Cb 0.00 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 3gyr s VAL 145 CO 0.00 0.27 1.05 -1.83 0.00 0.00 0.00 175.10 174.59 3gyr s GLU 146 N 0.69 3.90 0.11 2.72 -1.05 -1.26 -4.82 118.70 118.99 3gyr s GLU 146 Ca 0.36 1.43 -0.36 0.00 -0.15 0.00 0.00 54.97 56.25 3gyr s GLU 146 Cb -0.18 -2.23 -0.16 0.00 -0.44 0.00 0.00 34.13 31.12 3gyr s GLU 146 CO 0.18 -0.36 1.31 -2.30 0.95 0.00 0.00 175.26 175.04 3gyr n PRO 147 N -0.69 1.21 -1.60 -4.83 -0.02 -1.26 -4.82 135.00 122.98 3gyr n PRO 147 Ca 0.08 0.44 -0.51 0.00 -2.02 0.00 0.00 63.50 61.49 3gyr n PRO 147 Cb 0.51 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 3gyr n PRO 147 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3gyr n ASN 148 N 2.45 2.76 0.08 2.55 2.85 0.30 -4.87 115.26 121.38 3gyr n ASN 148 Ca 0.17 0.76 0.00 0.00 -0.11 0.00 0.00 54.58 55.41 3gyr n ASN 148 Cb 0.21 -1.29 0.30 0.00 1.24 0.00 0.00 39.78 40.24 3gyr n ASN 148 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3gyr h LYS 149 N 10.20 0.30 -0.36 1.20 1.79 -1.90 -1.88 116.57 125.92 3gyr h LYS 149 Ca -0.40 -0.09 -0.08 0.00 -2.18 0.00 0.00 60.65 57.89 3gyr h LYS 149 Cb 1.30 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 3gyr h LYS 149 CO 0.98 0.51 -0.08 -0.44 -1.08 0.00 0.00 179.45 179.33 3gyr h ASP 150 N 0.28 0.70 0.45 0.86 3.45 -1.99 -0.82 116.42 119.35 3gyr h ASP 150 Ca 0.05 -0.36 -0.02 0.00 0.43 0.00 0.00 57.03 57.12 3gyr h ASP 150 Cb 0.54 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 3gyr h ASP 150 CO 0.04 0.90 -0.22 0.58 -1.57 0.00 0.00 179.24 178.97 3gyr h VAL 151 N 0.49 0.54 -0.30 -1.35 2.07 -1.90 -2.85 116.25 112.95 3gyr h VAL 151 Ca 0.09 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.49 3gyr h VAL 151 Cb 0.59 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3gyr h VAL 151 CO 0.04 0.04 0.50 0.00 0.02 0.00 0.00 177.57 178.16 3gyr h ALA 152 N -0.24 1.92 0.00 1.67 0.00 -1.24 -0.10 119.26 121.28 3gyr h ALA 152 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gyr h ALA 152 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3gyr h ALA 152 CO 0.10 -0.66 -0.22 0.00 0.00 0.00 0.00 179.25 178.47 3gyr n ALA 153 N -2.14 2.53 -1.68 0.00 0.00 -0.32 -4.42 120.51 114.47 3gyr n ALA 153 Ca 0.05 -0.11 -0.45 0.00 0.00 0.00 0.00 53.44 52.93 3gyr n ALA 153 Cb 0.64 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 3gyr n ALA 153 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gyr n LEU 154 N -2.16 3.36 -4.81 0.00 4.77 -0.05 -5.02 117.00 113.09 3gyr n LEU 154 Ca 0.05 1.09 -0.29 0.00 -0.03 0.00 0.00 56.01 56.82 3gyr n LEU 154 Cb 0.43 -1.47 0.12 0.00 -2.33 0.00 0.00 43.42 40.17 3gyr n LEU 154 CO 0.32 -0.17 0.72 -2.16 -1.33 0.00 0.00 177.39 174.77 3gyr s PRO 155 N 0.81 1.51 -0.09 3.23 0.04 -1.26 -4.66 135.00 134.58 3gyr s PRO 155 Ca 0.76 0.35 -0.29 0.00 0.04 0.00 0.00 61.00 61.86 3gyr s PRO 155 Cb -0.63 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 3gyr s PRO 155 CO 0.38 -1.96 1.78 0.00 0.04 0.00 0.00 177.00 177.24 3gyr s ALA 156 N -3.29 3.43 -0.26 8.56 0.00 -1.26 -4.94 121.76 123.99 3gyr s ALA 156 Ca 0.63 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 53.47 3gyr s ALA 156 Cb -0.14 -3.83 0.13 0.00 0.00 0.00 0.00 23.12 19.27 3gyr s ALA 156 CO 0.53 -1.73 0.29 -0.46 0.00 0.00 0.00 175.76 174.39 3gyr s TRP 157 N 4.90 -0.48 0.03 0.00 -0.00 -1.26 -4.01 118.94 118.10 3gyr s TRP 157 Ca 0.80 0.06 0.02 0.00 -0.00 0.00 0.00 56.10 56.97 3gyr s TRP 157 Cb -0.33 -0.37 -0.02 0.00 -0.00 0.00 0.00 33.47 32.75 3gyr s TRP 157 CO 0.33 -0.83 -0.06 0.45 -0.00 0.00 0.00 176.95 176.84 3gyr s SER 158 N 2.38 0.69 -0.07 5.86 0.15 -0.89 -4.78 113.70 117.03 3gyr s SER 158 Ca 0.09 -0.42 -0.07 0.00 0.70 0.00 0.00 55.95 56.25 3gyr s SER 158 Cb -0.14 0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 3gyr s SER 158 CO -0.26 -0.15 0.20 0.54 1.20 0.00 0.00 173.24 174.76 3gyr s VAL 159 N -1.07 -0.00 -0.13 4.45 0.11 -1.26 -0.28 120.40 122.22 3gyr s VAL 159 Ca -0.08 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 58.96 3gyr s VAL 159 Cb -0.08 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 3gyr s VAL 159 CO 0.00 0.00 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.82 3gyr s THR 160 N 0.17 3.68 -0.12 5.04 2.01 -1.26 0.24 115.64 125.40 3gyr s THR 160 Ca -0.01 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.56 3gyr s THR 160 Cb -0.02 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 3gyr s THR 160 CO -0.00 0.53 -0.17 -2.28 -0.69 0.00 0.00 174.62 172.00 3gyr s HIS 161 N 0.06 2.71 -0.71 4.92 5.04 -0.08 -4.02 115.29 123.21 3gyr s HIS 161 Ca -0.01 -0.79 -0.21 0.00 -1.54 0.00 0.00 55.06 52.52 3gyr s HIS 161 Cb -0.14 -1.79 0.10 0.00 0.04 0.00 0.00 32.58 30.79 3gyr s HIS 161 CO 0.03 -0.28 0.93 -1.17 -2.34 0.00 0.00 174.74 171.91 3gyr s LEU 162 N 0.32 4.85 -0.05 8.88 2.96 -1.26 -1.88 118.68 132.49 3gyr s LEU 162 Ca -0.13 -1.38 -0.30 0.00 -0.22 0.00 0.00 54.13 52.09 3gyr s LEU 162 Cb -0.17 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 3gyr s LEU 162 CO 0.07 -1.25 1.37 -2.28 -1.32 0.00 0.00 176.35 172.94 3gyr s HIS 163 N 3.31 2.79 0.00 5.38 5.65 0.18 -2.32 115.29 130.28 3gyr s HIS 163 Ca 0.22 0.84 0.00 0.00 0.25 0.00 0.00 55.06 56.37 3gyr s HIS 163 Cb -0.16 -3.62 0.00 0.00 -1.18 0.00 0.00 32.58 27.62 3gyr s HIS 163 CO 0.04 -2.29 0.00 0.41 -0.65 0.00 0.00 174.74 172.25 3gyr n GLY 164 N 3.66 2.96 3.74 1.59 0.00 -1.26 -3.09 105.19 112.77 3gyr n GLY 164 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3gyr n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyr s ALA 165 N -2.63 3.45 -0.59 4.61 0.00 -0.98 -4.82 121.76 120.81 3gyr s ALA 165 Ca 0.00 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 52.70 3gyr s ALA 165 Cb 0.00 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.74 3gyr s ALA 165 CO 0.00 -0.41 0.95 -1.14 0.00 0.00 0.00 175.76 175.16 3gyr s GLN 166 N -0.10 3.25 0.26 0.00 0.74 -1.26 -4.22 119.66 118.33 3gyr s GLN 166 Ca 0.54 -0.46 -0.21 0.00 0.05 0.00 0.00 55.36 55.28 3gyr s GLN 166 Cb -0.33 -4.11 0.03 0.00 1.10 0.00 0.00 33.01 29.69 3gyr s GLN 166 CO 0.36 -1.61 0.70 -0.08 -0.55 0.00 0.00 175.29 174.11 3gyr s THR 167 N 4.01 0.00 0.71 -0.34 -1.32 -1.26 -4.49 115.64 112.94 3gyr s THR 167 Ca 0.27 -0.83 -0.11 0.00 -1.21 0.00 0.00 61.69 59.81 3gyr s THR 167 Cb -0.14 -1.83 0.01 0.00 -1.51 0.00 0.00 72.50 69.04 3gyr s THR 167 CO 0.16 -0.00 1.07 -0.83 -2.21 0.00 0.00 174.62 172.81 3gyr s GLY 168 N -2.89 1.65 0.56 6.08 0.00 -1.26 -4.70 107.32 106.76 3gyr s GLY 168 Ca 0.09 -0.07 0.24 0.00 0.00 0.00 0.00 44.72 44.99 3gyr s GLY 168 CO 0.04 0.27 2.14 -1.33 0.00 0.00 0.00 173.10 174.21 3gyr h GLY 169 N -0.73 0.00 2.00 0.20 0.00 -1.27 -0.21 103.07 103.07 3gyr h GLY 169 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3gyr h GLY 169 CO 0.59 0.00 -0.04 -1.33 0.00 0.00 0.00 176.54 175.76 3gyr h GLY 170 N 0.00 0.00 -0.53 4.60 0.00 -1.88 -3.04 103.07 102.22 3gyr h GLY 170 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3gyr h GLY 170 CO -0.00 0.00 -0.26 0.70 0.00 0.00 0.00 176.54 176.98 3gyr n ASN 171 N -3.59 1.32 0.13 0.19 3.02 -0.12 -4.66 115.26 111.56 3gyr n ASN 171 Ca -0.02 -1.16 0.13 0.00 -0.03 0.00 0.00 54.58 53.49 3gyr n ASN 171 Cb 0.14 0.48 0.30 0.00 -0.61 0.00 0.00 39.78 40.09 3gyr n ASN 171 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3gyr h ASP 172 N 1.29 0.00 -1.69 6.41 -0.00 -1.36 -3.45 116.42 117.63 3gyr h ASP 172 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.03 57.01 3gyr h ASP 172 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.73 3gyr h ASP 172 CO 0.00 0.01 0.00 0.61 -0.00 0.00 0.00 179.24 179.86 3gyr n GLY 173 N 1.25 0.63 3.61 -0.78 0.00 -1.26 -4.21 105.19 104.43 3gyr n GLY 173 Ca 0.05 -0.38 -0.51 0.00 0.00 0.00 0.00 46.02 45.18 3gyr n GLY 173 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3gyr n TRP 174 N -0.84 1.66 0.07 1.61 -0.00 -1.26 -4.69 117.44 113.99 3gyr n TRP 174 Ca 0.00 0.57 0.14 0.00 -0.00 0.00 0.00 57.50 58.21 3gyr n TRP 174 Cb 0.36 -2.37 0.64 0.00 -0.00 0.00 0.00 31.31 29.93 3gyr n TRP 174 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3gyr h ALA 175 N 4.77 2.23 0.00 5.87 0.00 -1.96 -0.42 119.26 129.76 3gyr h ALA 175 Ca -0.47 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 3gyr h ALA 175 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3gyr h ALA 175 CO 0.80 -0.33 -0.45 -0.44 0.00 0.00 0.00 179.25 178.83 3gyr h ASP 176 N 0.08 0.00 -0.46 0.00 3.32 -1.88 0.26 116.42 117.74 3gyr h ASP 176 Ca 0.17 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.92 3gyr h ASP 176 Cb 0.57 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.98 3gyr h ASP 176 CO -0.01 0.45 0.39 0.59 -1.72 0.00 0.00 179.24 178.93 3gyr n ASN 177 N -3.36 5.95 -4.82 6.45 5.03 -0.17 -4.90 115.26 119.45 3gyr n ASN 177 Ca 0.01 -3.00 -0.32 0.00 0.87 0.00 0.00 54.58 52.14 3gyr n ASN 177 Cb 0.63 -1.00 0.03 0.00 -1.02 0.00 0.00 39.78 38.42 3gyr n ASN 177 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gyr s ALA 178 N -1.73 2.75 0.08 5.41 0.00 -1.25 -4.77 121.76 122.25 3gyr s ALA 178 Ca 0.29 0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.54 3gyr s ALA 178 Cb 0.23 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 3gyr s ALA 178 CO 0.00 -0.96 -0.22 0.14 0.00 0.00 0.00 175.76 174.72 3gyr s VAL 179 N -2.79 1.80 0.39 0.00 -7.23 0.62 -4.75 120.40 108.44 3gyr s VAL 179 Ca 0.60 -1.45 -0.02 0.00 -1.81 0.00 0.00 61.98 59.30 3gyr s VAL 179 Cb -0.14 -1.60 0.08 0.00 0.56 0.00 0.00 36.38 35.28 3gyr s VAL 179 CO 0.46 0.08 0.53 0.61 -0.31 0.00 0.00 175.10 176.47 3gyr n GLY 180 N 1.36 0.22 3.59 2.32 0.00 -1.26 -2.10 105.19 109.32 3gyr n GLY 180 Ca -0.18 -1.92 -0.49 0.00 0.00 0.00 0.00 46.02 43.43 3gyr n GLY 180 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3gyr n PHE 181 N -2.31 1.48 0.00 1.61 7.35 -1.26 -2.28 117.46 122.06 3gyr n PHE 181 Ca 0.08 0.63 0.00 0.00 -0.76 0.00 0.00 57.45 57.40 3gyr n PHE 181 Cb 0.29 -2.32 0.00 0.00 0.35 0.00 0.00 39.48 37.80 3gyr n PHE 181 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gyr n GLY 182 N 2.21 3.01 3.96 7.13 0.00 0.93 -5.02 105.19 117.41 3gyr n GLY 182 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3gyr n GLY 182 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gyr s ASP 183 N 0.71 6.14 0.12 1.61 1.01 -0.97 -4.86 116.67 120.43 3gyr s ASP 183 Ca 0.00 0.16 0.08 0.00 0.71 0.00 0.00 52.55 53.50 3gyr s ASP 183 Cb 0.00 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 3gyr s ASP 183 CO 0.00 -0.33 -0.19 0.00 0.21 0.00 0.00 175.17 174.86 3gyr s ALA 184 N -2.22 1.82 -0.23 5.23 0.00 -1.26 -1.53 121.76 123.57 3gyr s ALA 184 Ca 0.41 -1.31 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 3gyr s ALA 184 Cb -0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3gyr s ALA 184 CO 0.33 0.30 0.07 -1.14 0.00 0.00 0.00 175.76 175.32 3gyr s GLN 185 N -2.22 3.74 -0.23 0.00 0.74 0.23 -4.96 119.66 116.95 3gyr s GLN 185 Ca 0.09 -0.44 -0.09 0.00 0.05 0.00 0.00 55.36 54.97 3gyr s GLN 185 Cb -0.08 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.70 3gyr s GLN 185 CO 0.05 -0.06 0.11 -0.51 -0.55 0.00 0.00 175.29 174.33 3gyr s LEU 186 N 1.26 3.81 -0.06 3.68 1.43 -1.26 -0.17 118.68 127.38 3gyr s LEU 186 Ca 0.05 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 3gyr s LEU 186 Cb -0.15 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 3gyr s LEU 186 CO 0.03 0.05 -0.18 -0.44 0.23 0.00 0.00 176.35 176.04 3gyr s SER 187 N 1.13 2.34 -0.18 2.29 0.01 0.39 -4.74 113.70 114.93 3gyr s SER 187 Ca 0.06 -0.39 -0.08 0.00 1.31 0.00 0.00 55.95 56.84 3gyr s SER 187 Cb -0.14 -0.77 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 3gyr s SER 187 CO 0.04 0.15 0.08 -0.70 0.41 0.00 0.00 173.24 173.22 3gyr s GLU 188 N 0.14 3.97 -0.27 12.44 2.12 -1.26 -0.15 118.70 135.69 3gyr s GLU 188 Ca -0.07 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 54.97 3gyr s GLU 188 Cb -0.13 -3.25 0.07 0.00 0.26 0.00 0.00 34.13 31.08 3gyr s GLU 188 CO 0.03 0.32 -0.06 0.71 -0.54 0.00 0.00 175.26 175.73 3gyr s TYR 189 N 0.26 3.05 -0.12 5.30 2.02 0.48 -4.74 117.35 123.59 3gyr s TYR 189 Ca 0.05 -2.27 0.29 0.00 -0.37 0.00 0.00 57.07 54.77 3gyr s TYR 189 Cb -0.12 -2.00 0.90 0.00 -0.40 0.00 0.00 41.96 40.34 3gyr s TYR 189 CO -0.00 -0.86 1.81 -1.35 -1.57 0.00 0.00 175.55 173.58 3gyr h PRO 190 N 7.81 0.00 -2.56 -1.71 0.11 -1.84 -1.32 132.00 132.48 3gyr h PRO 190 Ca -0.16 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.58 3gyr h PRO 190 Cb 1.04 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3gyr h PRO 190 CO 0.46 0.02 -0.47 0.09 -0.21 0.00 0.00 178.00 177.89 3gyr n ASN 191 N -3.11 -5.39 -3.70 -2.05 5.03 -1.26 -3.96 115.26 100.81 3gyr n ASN 191 Ca 0.02 0.01 -0.42 0.00 0.87 0.00 0.00 54.58 55.06 3gyr n ASN 191 Cb 0.41 -4.45 -0.00 0.00 -1.02 0.00 0.00 39.78 34.71 3gyr n ASN 191 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3gyr n ASP 192 N -1.54 5.41 -3.66 6.41 4.64 -1.26 -0.66 116.55 125.89 3gyr n ASP 192 Ca -0.22 -2.94 -0.15 0.00 -1.38 0.00 0.00 54.79 50.09 3gyr n ASP 192 Cb 0.67 -1.54 -0.08 0.00 -1.04 0.00 0.00 41.12 39.13 3gyr n ASP 192 CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 3gyr s HIS 193 N 1.51 -0.38 0.77 -0.67 2.46 -1.26 -5.00 115.29 112.71 3gyr s HIS 193 Ca 0.48 0.64 -0.12 0.00 0.47 0.00 0.00 55.06 56.54 3gyr s HIS 193 Cb 0.13 0.22 0.06 0.00 -0.13 0.00 0.00 32.58 32.87 3gyr s HIS 193 CO -0.05 -0.47 1.11 1.14 -2.47 0.00 0.00 174.74 174.00 3gyr s GLN 194 N -1.22 2.17 0.30 2.88 -2.07 -1.26 -4.63 119.66 115.83 3gyr s GLN 194 Ca -0.12 1.30 -0.29 0.00 -1.82 0.00 0.00 55.36 54.43 3gyr s GLN 194 Cb -0.03 -1.88 -0.13 0.00 -1.09 0.00 0.00 33.01 29.88 3gyr s GLN 194 CO 0.06 -1.73 1.28 0.00 -1.32 0.00 0.00 175.29 173.59 3gyr n ALA 195 N -3.36 0.98 -3.90 2.60 0.00 -1.26 -4.88 120.51 110.68 3gyr n ALA 195 Ca 0.10 0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.90 3gyr n ALA 195 Cb 0.52 -2.22 0.02 0.00 0.00 0.00 0.00 19.45 17.77 3gyr n ALA 195 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gyr s THR 196 N -0.76 0.00 -0.30 0.00 -1.32 -0.94 -4.17 115.64 108.16 3gyr s THR 196 Ca 0.60 -0.53 -0.08 0.00 -1.21 0.00 0.00 61.69 60.47 3gyr s THR 196 Cb -0.62 -2.90 -0.01 0.00 -1.51 0.00 0.00 72.50 67.46 3gyr s THR 196 CO 0.58 0.00 0.12 -1.58 -2.21 0.00 0.00 174.62 171.53 3gyr s GLN 197 N -2.14 3.32 0.49 7.08 0.74 -1.26 -1.12 119.66 126.77 3gyr s GLN 197 Ca 0.23 -0.72 0.08 0.00 0.05 0.00 0.00 55.36 55.01 3gyr s GLN 197 Cb -0.02 -3.48 0.04 0.00 1.10 0.00 0.00 33.01 30.65 3gyr s GLN 197 CO 0.05 -0.39 0.67 -1.58 -0.55 0.00 0.00 175.29 173.49 3gyr s TRP 198 N 1.58 2.23 0.02 1.67 0.51 0.66 -4.85 118.94 120.76 3gyr s TRP 198 Ca 0.04 -0.51 -0.14 0.00 -2.12 0.00 0.00 56.10 53.37 3gyr s TRP 198 Cb -0.17 -2.34 0.02 0.00 -0.81 0.00 0.00 33.47 30.17 3gyr s TRP 198 CO 0.05 -0.75 0.29 1.67 -0.51 0.00 0.00 176.95 177.70 3gyr s TRP 199 N -2.51 -0.12 0.02 -1.98 1.48 -1.18 -1.03 118.94 113.62 3gyr s TRP 199 Ca 0.58 0.07 0.07 0.00 -1.06 0.00 0.00 56.10 55.75 3gyr s TRP 199 Cb -0.08 0.08 -0.02 0.00 -1.16 0.00 0.00 33.47 32.29 3gyr s TRP 199 CO 0.36 -0.45 -0.20 1.52 -4.06 0.00 0.00 176.95 174.12 3gyr s TYR 200 N -2.03 1.78 0.16 1.66 -0.85 0.22 0.47 117.35 118.77 3gyr s TYR 200 Ca -0.09 -0.36 -0.20 0.00 -0.52 0.00 0.00 57.07 55.91 3gyr s TYR 200 Cb -0.03 -1.10 0.05 0.00 0.38 0.00 0.00 41.96 41.26 3gyr s TYR 200 CO -0.00 0.04 0.53 -3.38 -1.52 0.00 0.00 175.55 171.22 3gyr s HIS 201 N -0.65 -0.35 0.44 -3.49 -3.43 -0.79 -0.94 115.29 106.08 3gyr s HIS 201 Ca 0.07 0.07 -0.25 0.00 -0.80 0.00 0.00 55.06 54.15 3gyr s HIS 201 Cb -0.08 0.45 -0.09 0.00 -1.43 0.00 0.00 32.58 31.43 3gyr s HIS 201 CO 0.01 -0.84 1.37 -3.47 -2.00 0.00 0.00 174.74 169.81 3gyr n ASP 202 N -0.33 3.00 -0.71 7.38 -0.08 -0.94 -0.90 116.55 123.98 3gyr n ASP 202 Ca -0.15 1.11 0.03 0.00 -1.51 0.00 0.00 54.79 54.28 3gyr n ASP 202 Cb 0.64 -1.56 0.05 0.00 2.34 0.00 0.00 41.12 42.59 3gyr n ASP 202 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 3gyr n HIS 203 N -0.22 0.00 -1.79 -0.67 -0.00 0.14 -4.73 115.22 107.95 3gyr n HIS 203 Ca 0.06 -0.46 -0.41 0.00 0.46 0.00 0.00 57.72 57.36 3gyr n HIS 203 Cb 0.41 -0.11 -0.01 0.00 -0.12 0.00 0.00 29.99 30.15 3gyr n HIS 203 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3gyr s ALA 204 N -0.83 3.72 0.12 1.57 0.00 -1.26 -4.20 121.76 120.88 3gyr s ALA 204 Ca 0.19 1.56 -0.34 0.00 0.00 0.00 0.00 51.96 53.37 3gyr s ALA 204 Cb 0.19 -3.64 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 3gyr s ALA 204 CO -0.05 -0.98 1.64 -0.12 0.00 0.00 0.00 175.76 176.25 3gyr n MET 205 N 1.99 2.19 0.00 0.00 1.56 0.93 -2.17 117.12 121.62 3gyr n MET 205 Ca 0.07 0.79 0.00 0.00 -0.27 0.00 0.00 57.70 58.29 3gyr n MET 205 Cb 0.38 -2.58 0.00 0.00 2.15 0.00 0.00 33.22 33.17 3gyr n MET 205 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3gyr n ASN 206 N 4.09 0.00 -0.05 6.12 3.02 -1.26 -4.69 115.26 122.49 3gyr n ASN 206 Ca 0.18 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.75 3gyr n ASN 206 Cb 0.29 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.49 3gyr n ASN 206 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3gyr n ILE 207 N -0.94 0.96 -0.23 2.41 -5.35 -1.03 -4.74 119.36 110.45 3gyr n ILE 207 Ca 0.00 -1.05 0.11 0.00 -0.27 0.00 0.00 62.75 61.54 3gyr n ILE 207 Cb 0.00 0.42 0.38 0.00 -1.74 0.00 0.00 39.64 38.70 3gyr n ILE 207 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3gyr h THR 208 N 1.00 0.89 -0.09 7.28 2.02 -1.71 -0.79 112.91 121.50 3gyr h THR 208 Ca 0.00 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 66.97 3gyr h THR 208 Cb 0.76 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3gyr h THR 208 CO 0.00 0.12 0.08 0.08 0.37 0.00 0.00 175.52 176.17 3gyr h ARG 209 N 0.68 0.00 0.00 6.66 0.11 -1.85 -1.70 114.38 118.29 3gyr h ARG 209 Ca 0.40 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 60.11 3gyr h ARG 209 Cb 0.59 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.61 3gyr h ARG 209 CO -0.16 0.00 -2.38 0.91 0.10 0.00 0.00 179.97 178.44 3gyr n TRP 210 N -4.21 0.00 -0.22 4.08 8.01 -0.48 -3.71 117.44 120.92 3gyr n TRP 210 Ca -0.01 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.12 3gyr n TRP 210 Cb 0.19 -0.94 0.04 0.00 -2.01 0.00 0.00 31.31 28.59 3gyr n TRP 210 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 3gyr h ASN 211 N 0.00 0.73 -0.16 -0.99 2.35 -1.05 0.12 115.58 116.58 3gyr h ASN 211 Ca -0.54 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.14 3gyr h ASN 211 Cb 1.86 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 40.04 3gyr h ASN 211 CO -0.08 0.57 0.03 0.58 -1.65 0.00 0.00 177.43 176.87 3gyr h VAL 212 N 0.84 1.22 -0.11 2.81 2.07 -1.53 -2.89 116.25 118.65 3gyr h VAL 212 Ca 0.22 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.07 3gyr h VAL 212 Cb -0.04 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3gyr h VAL 212 CO -0.04 0.21 0.09 -0.03 0.02 0.00 0.00 177.57 177.82 3gyr h MET 213 N 0.04 0.00 0.00 1.57 1.85 -1.58 -0.52 114.93 116.30 3gyr h MET 213 Ca 0.05 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 3gyr h MET 213 Cb 0.30 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.33 3gyr h MET 213 CO 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.51 3gyr h ALA 214 N 1.93 1.00 0.00 0.39 0.00 -0.55 -3.46 119.26 118.57 3gyr h ALA 214 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gyr h ALA 214 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3gyr h ALA 214 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3gyr n GLY 215 N -0.74 0.47 3.19 0.00 0.00 -0.21 -1.08 105.19 106.82 3gyr n GLY 215 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3gyr n GLY 215 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gyr n LEU 216 N 0.00 5.87 -3.73 0.99 4.77 -1.17 -4.53 117.00 119.19 3gyr n LEU 216 Ca 0.00 -4.42 -0.12 0.00 -0.03 0.00 0.00 56.01 51.44 3gyr n LEU 216 Cb 0.00 -1.59 -0.08 0.00 -2.33 0.00 0.00 43.42 39.42 3gyr n LEU 216 CO 0.00 0.92 0.06 -0.72 -1.33 0.00 0.00 177.39 176.32 3gyr s TYR 217 N 1.69 -0.17 0.15 -1.77 -0.85 -1.26 -2.21 117.35 112.93 3gyr s TYR 217 Ca 0.44 0.14 -0.25 0.00 -0.52 0.00 0.00 57.07 56.88 3gyr s TYR 217 Cb 0.04 0.13 0.07 0.00 0.38 0.00 0.00 41.96 42.58 3gyr s TYR 217 CO 0.00 -0.48 0.99 0.20 -1.52 0.00 0.00 175.55 174.74 3gyr s GLY 218 N -1.79 -0.21 0.33 5.49 0.00 -0.12 -0.08 107.32 110.94 3gyr s GLY 218 Ca -0.08 0.12 0.10 0.00 0.00 0.00 0.00 44.72 44.86 3gyr s GLY 218 CO -0.00 0.20 -0.11 -1.08 0.00 0.00 0.00 173.10 172.10 3gyr s THR 219 N -3.12 2.31 -0.23 0.90 -1.32 -1.26 -0.61 115.64 112.31 3gyr s THR 219 Ca 0.13 -2.24 -0.03 0.00 -1.21 0.00 0.00 61.69 58.34 3gyr s THR 219 Cb -0.01 -2.58 0.13 0.00 -1.51 0.00 0.00 72.50 68.53 3gyr s THR 219 CO 0.02 -0.25 0.35 -0.47 -2.21 0.00 0.00 174.62 172.06 3gyr s TYR 220 N -2.58 -0.72 -0.19 9.09 6.14 -0.20 -1.55 117.35 127.34 3gyr s TYR 220 Ca 0.32 0.72 -0.07 0.00 0.64 0.00 0.00 57.07 58.68 3gyr s TYR 220 Cb 0.01 -0.05 -0.04 0.00 0.42 0.00 0.00 41.96 42.30 3gyr s TYR 220 CO 0.16 -0.69 0.07 -0.51 0.64 0.00 0.00 175.55 175.21 3gyr s LEU 221 N 2.50 3.79 -0.19 6.97 1.43 0.14 -0.24 118.68 133.08 3gyr s LEU 221 Ca 0.11 0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 3gyr s LEU 221 Cb -0.15 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 3gyr s LEU 221 CO -0.15 0.15 0.10 -0.69 0.23 0.00 0.00 176.35 175.99 3gyr s VAL 222 N 0.52 5.10 0.10 -1.59 1.01 -0.28 -1.87 120.40 123.40 3gyr s VAL 222 Ca 0.03 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.14 3gyr s VAL 222 Cb -0.13 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3gyr s VAL 222 CO 0.01 0.45 0.05 -0.13 0.00 0.00 0.00 175.10 175.47 3gyr s ARG 223 N 0.39 2.72 0.31 2.72 1.81 -0.03 -2.21 118.95 124.66 3gyr s ARG 223 Ca 0.06 -0.80 -0.07 0.00 -1.72 0.00 0.00 55.73 53.20 3gyr s ARG 223 Cb -0.12 -2.62 0.00 0.00 -0.45 0.00 0.00 34.95 31.77 3gyr s ARG 223 CO -0.01 0.54 0.49 0.16 -0.68 0.00 0.00 175.30 175.80 3gyr s ASP 224 N -2.48 0.47 0.30 0.23 1.47 -1.26 -0.01 116.67 115.39 3gyr s ASP 224 Ca 0.28 -1.27 0.13 0.00 1.18 0.00 0.00 52.55 52.86 3gyr s ASP 224 Cb -0.12 0.64 0.44 0.00 -0.34 0.00 0.00 42.92 43.55 3gyr s ASP 224 CO 0.20 -1.26 1.65 0.44 0.68 0.00 0.00 175.17 176.88 3gyr h ASP 225 N 2.17 0.00 0.60 2.11 3.45 -1.99 -2.03 116.42 120.73 3gyr h ASP 225 Ca -0.28 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.15 3gyr h ASP 225 Cb 1.24 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.02 3gyr h ASP 225 CO 0.39 0.55 -0.29 -0.08 -1.57 0.00 0.00 179.24 178.24 3gyr h GLU 226 N 0.00 -0.77 -0.71 3.56 4.81 -2.00 -1.81 114.58 117.66 3gyr h GLU 226 Ca -0.01 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 3gyr h GLU 226 Cb 1.03 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 3gyr h GLU 226 CO 0.07 -0.49 0.37 1.49 -0.73 0.00 0.00 179.01 179.72 3gyr h GLU 227 N -0.88 0.61 -0.79 1.92 4.81 -1.95 -2.32 114.58 115.97 3gyr h GLU 227 Ca -0.08 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3gyr h GLU 227 Cb 0.64 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 3gyr h GLU 227 CO 0.13 0.40 0.49 -0.44 -0.73 0.00 0.00 179.01 178.86 3gyr h ASP 228 N 0.63 0.77 0.03 1.04 3.32 -1.17 -1.57 116.42 119.46 3gyr h ASP 228 Ca 0.35 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3gyr h ASP 228 Cb 0.34 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3gyr h ASP 228 CO -0.26 0.51 0.00 0.00 -1.72 0.00 0.00 179.24 177.77 3gyr n ALA 229 N -2.34 1.04 0.77 3.45 0.00 -0.70 -1.07 120.51 121.66 3gyr n ALA 229 Ca 0.10 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.70 3gyr n ALA 229 Cb 0.15 -1.06 0.30 0.00 0.00 0.00 0.00 19.45 18.84 3gyr n ALA 229 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gyr n LEU 230 N -1.62 0.55 -3.66 0.00 4.77 -0.59 -4.97 117.00 111.48 3gyr n LEU 230 Ca -0.00 0.26 -0.23 0.00 -0.03 0.00 0.00 56.01 56.01 3gyr n LEU 230 Cb 0.01 -0.27 0.06 0.00 -2.33 0.00 0.00 43.42 40.89 3gyr n LEU 230 CO 0.02 -0.02 0.13 0.61 -1.33 0.00 0.00 177.39 176.80 3gyr n GLY 231 N 1.40 -0.45 3.78 -0.72 0.00 -0.23 -4.94 105.19 104.04 3gyr n GLY 231 Ca 0.05 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3gyr n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gyr s LEU 232 N -6.97 3.50 0.39 0.99 1.43 -1.26 -4.95 118.68 111.80 3gyr s LEU 232 Ca 0.37 2.01 -0.25 0.00 -1.03 0.00 0.00 54.13 55.22 3gyr s LEU 232 Cb -0.17 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.38 3gyr s LEU 232 CO 0.77 -1.44 0.93 -2.65 0.23 0.00 0.00 176.35 174.20 3gyr n PRO 233 N -2.07 1.22 -2.87 1.29 -0.02 -1.26 -4.95 135.00 126.34 3gyr n PRO 233 Ca 0.10 0.43 -0.08 0.00 -2.02 0.00 0.00 63.50 61.94 3gyr n PRO 233 Cb 0.52 -1.90 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 3gyr n PRO 233 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gyr n SER 234 N 0.81 -0.67 0.00 2.55 3.41 -1.26 -4.40 113.62 114.06 3gyr n SER 234 Ca 0.10 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3gyr n SER 234 Cb 0.37 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 3gyr n SER 234 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gyr n GLY 235 N -0.30 3.61 0.34 5.00 0.00 -1.26 -1.03 105.19 111.53 3gyr n GLY 235 Ca 0.01 0.18 0.19 0.00 0.00 0.00 0.00 46.02 46.40 3gyr n GLY 235 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gyr h ASP 236 N 0.00 0.00 -0.48 1.61 3.32 -2.03 -2.26 116.42 116.59 3gyr h ASP 236 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gyr h ASP 236 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3gyr h ASP 236 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 3gyr n ARG 237 N -3.15 2.82 -3.92 3.56 1.74 -0.20 -4.76 116.66 112.74 3gyr n ARG 237 Ca -0.02 -2.26 -0.35 0.00 -0.77 0.00 0.00 57.85 54.46 3gyr n ARG 237 Cb 0.23 -1.37 -0.14 0.00 -1.02 0.00 0.00 32.46 30.16 3gyr n ARG 237 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3gyr s GLU 238 N -1.00 3.02 -0.22 5.56 2.12 -0.85 -0.09 118.70 127.24 3gyr s GLU 238 Ca 0.32 -0.86 0.01 0.00 0.36 0.00 0.00 54.97 54.80 3gyr s GLU 238 Cb 0.17 -3.03 0.05 0.00 0.26 0.00 0.00 34.13 31.57 3gyr s GLU 238 CO 0.22 -0.34 -0.10 0.42 -0.54 0.00 0.00 175.26 174.91 3gyr s ILE 239 N 1.39 1.76 0.22 -3.70 1.01 -0.01 -4.77 121.20 117.10 3gyr s ILE 239 Ca 0.02 -1.19 -0.30 0.00 0.00 0.00 0.00 60.65 59.18 3gyr s ILE 239 Cb -0.16 -1.87 -0.10 0.00 0.01 0.00 0.00 42.46 40.35 3gyr s ILE 239 CO -0.03 0.09 1.43 -2.84 0.00 0.00 0.00 174.94 173.59 3gyr s PRO 240 N 1.32 4.28 -0.27 2.79 0.02 -1.26 -1.51 135.00 140.37 3gyr s PRO 240 Ca -0.03 2.26 0.03 0.00 0.02 0.00 0.00 61.00 63.27 3gyr s PRO 240 Cb -0.17 -3.14 0.07 0.00 0.02 0.00 0.00 34.50 31.28 3gyr s PRO 240 CO -0.07 -0.42 -0.06 -0.51 -0.33 0.00 0.00 177.00 175.61 3gyr s LEU 241 N -0.04 3.52 -0.45 -5.54 1.43 -0.21 -4.86 118.68 112.53 3gyr s LEU 241 Ca 0.61 -1.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.07 3gyr s LEU 241 Cb -0.41 -1.47 0.10 0.00 0.03 0.00 0.00 46.19 44.44 3gyr s LEU 241 CO 0.40 -0.25 0.32 -0.76 0.23 0.00 0.00 176.35 176.29 3gyr s LEU 242 N 1.13 5.48 -0.01 1.79 1.02 -1.26 -1.13 118.68 125.70 3gyr s LEU 242 Ca -0.03 -1.67 -0.02 0.00 0.02 0.00 0.00 54.13 52.43 3gyr s LEU 242 Cb -0.19 -2.03 -0.04 0.00 0.02 0.00 0.00 46.19 43.95 3gyr s LEU 242 CO -0.07 -0.63 0.13 0.27 0.02 0.00 0.00 176.35 176.07 3gyr s ILE 243 N 1.43 5.07 -0.29 -0.59 -4.36 -0.73 -1.17 121.20 120.56 3gyr s ILE 243 Ca 0.04 -0.28 -0.14 0.00 -0.26 0.00 0.00 60.65 60.01 3gyr s ILE 243 Cb -0.25 -3.34 0.11 0.00 1.25 0.00 0.00 42.46 40.23 3gyr s ILE 243 CO 0.01 0.35 0.74 0.00 0.24 0.00 0.00 174.94 176.28 3gyr s ALA 244 N -1.25 -2.03 0.51 2.27 0.00 -0.57 0.09 121.76 120.78 3gyr s ALA 244 Ca 0.25 2.35 -0.19 0.00 0.00 0.00 0.00 51.96 54.37 3gyr s ALA 244 Cb -0.12 -1.60 -0.07 0.00 0.00 0.00 0.00 23.12 21.33 3gyr s ALA 244 CO 0.16 -0.55 1.06 0.16 0.00 0.00 0.00 175.76 176.59 3gyr s ASP 245 N 1.96 6.14 0.04 0.00 -4.77 -1.26 -0.43 116.67 118.35 3gyr s ASP 245 Ca -0.08 1.95 0.00 0.00 -3.30 0.00 0.00 52.55 51.12 3gyr s ASP 245 Cb -0.07 -2.56 -0.03 0.00 -1.09 0.00 0.00 42.92 39.18 3gyr s ASP 245 CO -0.19 -0.92 -0.04 -0.13 0.70 0.00 0.00 175.17 174.58 3gyr s ARG 246 N -3.39 0.48 0.22 2.11 1.81 0.76 -4.79 118.95 116.14 3gyr s ARG 246 Ca 0.67 -0.87 0.10 0.00 -1.72 0.00 0.00 55.73 53.92 3gyr s ARG 246 Cb -0.17 0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.31 3gyr s ARG 246 CO 0.24 -0.04 -0.13 1.21 -0.68 0.00 0.00 175.30 175.90 3gyr s ASN 247 N -2.02 4.02 0.05 0.23 3.84 -1.25 -2.03 114.94 117.78 3gyr s ASN 247 Ca -0.06 -0.73 0.07 0.00 0.21 0.00 0.00 52.86 52.35 3gyr s ASN 247 Cb -0.04 -0.57 -0.03 0.00 -0.55 0.00 0.00 41.25 40.07 3gyr s ASN 247 CO -0.03 0.08 -0.20 -0.76 -2.79 0.00 0.00 177.10 173.40 3gyr s LEU 248 N -3.08 2.18 0.81 3.21 1.43 -1.26 -1.34 118.68 120.63 3gyr s LEU 248 Ca 0.26 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 3gyr s LEU 248 Cb -0.07 -0.90 0.08 0.00 0.03 0.00 0.00 46.19 45.32 3gyr s LEU 248 CO 0.15 0.13 1.12 -0.62 0.23 0.00 0.00 176.35 177.35 3gyr s ASP 249 N -1.23 4.42 0.21 2.29 2.15 0.20 -0.66 116.67 124.05 3gyr s ASP 249 Ca 0.06 1.13 0.06 0.00 0.43 0.00 0.00 52.55 54.24 3gyr s ASP 249 Cb -0.09 -1.81 -0.05 0.00 -0.30 0.00 0.00 42.92 40.67 3gyr s ASP 249 CO 0.02 -2.00 -0.10 0.42 -0.17 0.00 0.00 175.17 173.34 3gyr s THR 250 N -3.27 1.52 0.80 1.71 -4.23 -1.26 -1.22 115.64 109.68 3gyr s THR 250 Ca 0.61 -2.14 -0.07 0.00 -1.18 0.00 0.00 61.69 58.91 3gyr s THR 250 Cb -0.14 -2.13 0.14 0.00 1.34 0.00 0.00 72.50 71.71 3gyr s THR 250 CO 0.53 -0.53 1.11 -1.81 -0.54 0.00 0.00 174.62 173.38 3gyr s ASP 251 N -3.31 4.05 0.50 3.99 1.01 0.62 -4.84 116.67 118.69 3gyr s ASP 251 Ca 0.24 0.04 0.24 0.00 0.71 0.00 0.00 52.55 53.77 3gyr s ASP 251 Cb 0.02 -0.38 1.33 0.00 1.01 0.00 0.00 42.92 44.90 3gyr s ASP 251 CO 0.07 -2.08 2.05 -0.33 0.21 0.00 0.00 175.17 175.09 3gyr h GLU 252 N -0.91 0.00 -0.22 8.23 5.08 -2.02 0.62 114.58 125.36 3gyr h GLU 252 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3gyr h GLU 252 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3gyr h GLU 252 CO 0.44 0.14 0.00 -0.40 -1.00 0.00 0.00 179.01 178.19 3gyr n ASP 253 N -3.84 1.37 0.00 1.42 5.75 -1.26 -4.90 116.55 115.09 3gyr n ASP 253 Ca -0.02 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 3gyr n ASP 253 Cb 0.24 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3gyr n ASP 253 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gyr n GLY 254 N 0.96 0.76 3.73 6.12 0.00 0.22 -5.03 105.19 111.95 3gyr n GLY 254 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3gyr n GLY 254 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 255 N -0.29 4.38 0.17 1.61 0.52 -1.25 -4.71 118.95 119.38 3gyr s ARG 255 Ca 0.00 2.01 -0.32 0.00 -0.52 0.00 0.00 55.73 56.91 3gyr s ARG 255 Cb 0.00 -3.23 -0.10 0.00 0.52 0.00 0.00 34.95 32.14 3gyr s ARG 255 CO 0.00 -0.29 1.64 -0.51 0.02 0.00 0.00 175.30 176.16 3gyr s LEU 256 N 0.33 4.37 0.00 2.53 1.43 -1.26 -0.28 118.68 125.80 3gyr s LEU 256 Ca 0.59 2.69 0.14 0.00 -1.03 0.00 0.00 54.13 56.52 3gyr s LEU 256 Cb -0.35 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.37 3gyr s LEU 256 CO 0.35 -0.89 0.92 -0.46 0.23 0.00 0.00 176.35 176.51 3gyr n ASN 257 N 4.23 2.09 0.00 2.29 0.23 -0.36 -4.86 115.26 118.88 3gyr n ASN 257 Ca 0.15 -1.54 0.00 0.00 -0.53 0.00 0.00 54.58 52.65 3gyr n ASN 257 Cb 0.38 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 3gyr n ASN 257 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gyr n GLY 258 N 0.83 2.32 3.69 4.83 0.00 -1.26 -4.71 105.19 110.87 3gyr n GLY 258 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3gyr n GLY 258 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 259 N -0.41 4.22 0.18 1.61 0.52 -1.26 -4.57 118.95 119.24 3gyr s ARG 259 Ca 0.00 2.20 -0.33 0.00 -0.52 0.00 0.00 55.73 57.07 3gyr s ARG 259 Cb 0.00 -3.63 -0.13 0.00 0.52 0.00 0.00 34.95 31.70 3gyr s ARG 259 CO 0.00 -0.70 1.59 1.28 0.02 0.00 0.00 175.30 177.49 3gyr n LEU 260 N 5.70 3.30 -3.81 2.53 4.77 -1.26 -0.63 117.00 127.60 3gyr n LEU 260 Ca 0.15 1.09 -0.26 0.00 -0.03 0.00 0.00 56.01 56.96 3gyr n LEU 260 Cb 0.42 -1.46 -0.17 0.00 -2.33 0.00 0.00 43.42 39.88 3gyr n LEU 260 CO 0.61 -0.21 -0.40 -0.22 -1.33 0.00 0.00 177.39 175.85 3gyr s LEU 261 N 0.83 1.10 -0.59 2.23 2.96 -0.45 -1.36 118.68 123.40 3gyr s LEU 261 Ca 0.77 -0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 54.03 3gyr s LEU 261 Cb -0.64 -0.67 0.10 0.00 0.50 0.00 0.00 46.19 45.49 3gyr s LEU 261 CO 0.38 -0.21 0.71 -2.28 -1.32 0.00 0.00 176.35 173.64 3gyr s HIS 262 N 1.81 2.99 -0.22 5.38 5.65 0.12 -3.77 115.29 127.25 3gyr s HIS 262 Ca 0.02 -0.95 0.00 0.00 0.25 0.00 0.00 55.06 54.38 3gyr s HIS 262 Cb -0.14 -4.03 0.03 0.00 -1.18 0.00 0.00 32.58 27.26 3gyr s HIS 262 CO -0.07 -1.31 -0.13 0.21 -0.65 0.00 0.00 174.74 172.80 3gyr s LYS 263 N 2.72 2.85 0.32 2.88 2.20 -1.26 -1.35 119.74 128.10 3gyr s LYS 263 Ca 0.12 -0.94 0.09 0.00 -0.36 0.00 0.00 55.97 54.87 3gyr s LYS 263 Cb -0.24 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.24 3gyr s LYS 263 CO 0.06 -0.33 0.08 0.95 -0.36 0.00 0.00 175.35 175.76 3gyr s THR 264 N 1.29 3.12 -0.19 3.43 -4.23 -0.84 -4.52 115.64 113.69 3gyr s THR 264 Ca 0.01 -1.79 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 3gyr s THR 264 Cb -0.15 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 3gyr s THR 264 CO -0.08 -0.24 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.06 3gyr s VAL 265 N -2.40 3.89 -0.18 2.29 1.01 -1.26 -0.71 120.40 123.04 3gyr s VAL 265 Ca 0.35 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 3gyr s VAL 265 Cb -0.03 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3gyr s VAL 265 CO 0.21 0.44 1.55 -0.63 0.00 0.00 0.00 175.10 176.67 3gyr s ILE 266 N 0.92 3.79 -0.33 2.22 1.01 0.68 -1.84 121.20 127.65 3gyr s ILE 266 Ca 0.01 0.91 0.16 0.00 0.00 0.00 0.00 60.65 61.73 3gyr s ILE 266 Cb -0.14 -3.72 -0.21 0.00 0.01 0.00 0.00 42.46 38.39 3gyr s ILE 266 CO 0.02 -0.23 0.48 1.33 0.00 0.00 0.00 174.94 176.54 3gyr n VAL 267 N 6.02 0.00 -3.66 2.92 0.24 -0.34 -3.43 118.33 120.07 3gyr n VAL 267 Ca 0.17 -0.27 -0.27 0.00 -2.04 0.00 0.00 64.34 61.94 3gyr n VAL 267 Cb 0.45 0.51 -0.16 0.00 -1.47 0.00 0.00 33.84 33.16 3gyr n VAL 267 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3gyr s GLN 268 N -2.83 0.36 0.20 7.34 0.74 -0.84 -5.01 119.66 119.63 3gyr s GLN 268 Ca -0.01 -0.33 -0.08 0.00 0.05 0.00 0.00 55.36 54.99 3gyr s GLN 268 Cb 0.11 -1.89 0.14 0.00 1.10 0.00 0.00 33.01 32.47 3gyr s GLN 268 CO 0.65 -0.71 1.75 0.37 -0.55 0.00 0.00 175.29 176.80 3gyr h GLN 269 N 8.33 1.15 -2.82 1.67 5.75 -1.87 -0.66 115.11 126.65 3gyr h GLN 269 Ca -0.16 -0.23 -0.36 0.00 -0.15 0.00 0.00 58.65 57.75 3gyr h GLN 269 Cb 1.12 -0.17 -0.38 0.00 1.07 0.00 0.00 27.48 29.11 3gyr h GLN 269 CO 0.34 0.96 -0.67 0.45 -2.65 0.00 0.00 178.83 177.25 3gyr s SER 270 N -6.36 1.59 0.15 -0.69 0.15 -1.26 -3.41 113.70 103.88 3gyr s SER 270 Ca -0.12 -0.25 -0.31 0.00 0.70 0.00 0.00 55.95 55.97 3gyr s SER 270 Cb 0.15 0.14 -0.08 0.00 -1.71 0.00 0.00 66.02 64.52 3gyr s SER 270 CO 0.84 -0.32 1.37 0.21 1.20 0.00 0.00 173.24 176.54 3gyr s ASN 271 N 2.25 6.83 0.59 5.45 2.47 -0.06 -4.90 114.94 127.58 3gyr s ASN 271 Ca 0.05 2.37 0.29 0.00 0.42 0.00 0.00 52.86 55.99 3gyr s ASN 271 Cb -0.15 -2.60 1.70 0.00 -1.45 0.00 0.00 41.25 38.75 3gyr s ASN 271 CO -0.10 -0.62 2.14 -0.65 -3.72 0.00 0.00 177.10 174.15 3gyr h PRO 272 N 6.27 0.00 0.12 0.43 0.11 -1.94 -2.58 132.00 134.41 3gyr h PRO 272 Ca -0.43 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.33 3gyr h PRO 272 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3gyr h PRO 272 CO 0.83 0.00 -1.87 0.93 -0.21 0.00 0.00 178.00 177.69 3gyr h GLU 273 N 0.00 0.26 -5.91 1.05 5.08 -1.93 -3.48 114.58 109.65 3gyr h GLU 273 Ca 0.06 -0.45 -0.58 0.00 -1.00 0.00 0.00 59.36 57.39 3gyr h GLU 273 Cb 0.37 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 3gyr h GLU 273 CO -0.00 1.14 -0.31 0.95 -1.00 0.00 0.00 179.01 179.79 3gyr s THR 274 N -2.57 1.67 0.21 1.13 -4.23 -0.97 -5.02 115.64 105.85 3gyr s THR 274 Ca -0.18 -1.51 0.28 0.00 -1.18 0.00 0.00 61.69 59.11 3gyr s THR 274 Cb 0.06 -2.17 0.29 0.00 1.34 0.00 0.00 72.50 72.03 3gyr s THR 274 CO 0.80 0.00 1.94 1.23 -0.54 0.00 0.00 174.62 178.05 3gyr h GLY 275 N 0.78 0.00 -2.72 3.99 0.00 -1.93 -3.37 103.07 99.82 3gyr h GLY 275 Ca -0.37 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.50 3gyr h GLY 275 CO 0.58 0.00 -0.25 0.54 0.00 0.00 0.00 176.54 177.41 3gyr s LYS 276 N -3.80 3.33 0.80 4.80 1.02 -1.26 -4.40 119.74 120.23 3gyr s LYS 276 Ca -0.00 -0.57 -0.11 0.00 0.02 0.00 0.00 55.97 55.30 3gyr s LYS 276 Cb 0.11 -2.72 0.07 0.00 -0.52 0.00 0.00 37.83 34.77 3gyr s LYS 276 CO 0.59 0.11 1.10 -2.14 -0.92 0.00 0.00 175.35 174.09 3gyr s PRO 277 N -4.27 2.08 -0.07 -1.68 0.02 -1.22 -0.88 135.00 128.99 3gyr s PRO 277 Ca 0.41 0.66 -0.00 0.00 0.02 0.00 0.00 61.00 62.09 3gyr s PRO 277 Cb -0.10 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.53 3gyr s PRO 277 CO 0.34 -1.63 -0.03 0.08 -0.33 0.00 0.00 177.00 175.44 3gyr s VAL 278 N -3.14 0.55 0.29 3.83 1.01 -0.25 -4.88 120.40 117.80 3gyr s VAL 278 Ca 0.61 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.64 3gyr s VAL 278 Cb -0.14 -0.63 -0.06 0.00 0.00 0.00 0.00 36.38 35.55 3gyr s VAL 278 CO 0.54 0.27 -0.12 -0.94 0.00 0.00 0.00 175.10 174.84 3gyr s SER 279 N 1.53 3.30 0.86 3.32 1.04 -1.26 -1.20 113.70 121.29 3gyr s SER 279 Ca -0.01 -1.12 -0.09 0.00 0.48 0.00 0.00 55.95 55.21 3gyr s SER 279 Cb -0.13 -0.26 0.18 0.00 0.10 0.00 0.00 66.02 65.91 3gyr s SER 279 CO -0.04 -0.16 1.18 0.27 0.98 0.00 0.00 173.24 175.48 3gyr s ILE 280 N -2.73 2.02 1.10 -1.02 -4.36 -0.77 -4.92 121.20 110.53 3gyr s ILE 280 Ca 0.30 -0.30 -0.17 0.00 -0.26 0.00 0.00 60.65 60.22 3gyr s ILE 280 Cb 0.00 -2.72 0.24 0.00 1.25 0.00 0.00 42.46 41.23 3gyr s ILE 280 CO 0.14 0.00 1.15 -2.84 0.24 0.00 0.00 174.94 173.63 3gyr s PRO 281 N -5.56 -0.39 0.07 0.37 0.02 -1.26 -4.51 135.00 123.75 3gyr s PRO 281 Ca 0.72 -0.01 -0.30 0.00 0.02 0.00 0.00 61.00 61.42 3gyr s PRO 281 Cb -0.04 -1.69 -0.05 0.00 0.02 0.00 0.00 34.50 32.74 3gyr s PRO 281 CO 0.49 -3.17 1.10 0.12 -0.33 0.00 0.00 177.00 175.22 3gyr s PHE 282 N -3.20 3.56 -0.01 6.54 5.36 -1.26 -4.72 117.98 124.25 3gyr s PHE 282 Ca 0.70 1.52 0.00 0.00 -0.96 0.00 0.00 56.93 58.19 3gyr s PHE 282 Cb -0.10 -3.28 0.01 0.00 -0.34 0.00 0.00 43.02 39.31 3gyr s PHE 282 CO 0.55 -0.66 -0.01 -0.06 -1.46 0.00 0.00 175.22 173.58 3gyr s PHE 283 N 0.67 0.15 0.15 10.12 0.08 -1.26 -3.93 117.98 123.96 3gyr s PHE 283 Ca 0.54 -0.00 0.04 0.00 0.12 0.00 0.00 56.93 57.63 3gyr s PHE 283 Cb -0.27 -0.16 -0.05 0.00 -0.57 0.00 0.00 43.02 41.98 3gyr s PHE 283 CO 0.30 -0.03 -0.08 0.20 -0.10 0.00 0.00 175.22 175.51 3gyr s GLY 284 N 0.28 1.11 0.35 4.36 0.00 -1.26 -4.77 107.32 107.39 3gyr s GLY 284 Ca -0.02 -1.52 0.19 0.00 0.00 0.00 0.00 44.72 43.36 3gyr s GLY 284 CO -0.01 -1.58 1.58 -0.56 0.00 0.00 0.00 173.10 172.53 3gyr h PRO 285 N 2.75 0.00 -5.52 2.90 0.13 -1.67 -3.40 132.00 127.19 3gyr h PRO 285 Ca -0.37 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.12 3gyr h PRO 285 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 3gyr h PRO 285 CO 0.64 0.36 -0.61 0.71 -0.23 0.00 0.00 178.00 178.86 3gyr s TYR 286 N -3.20 3.16 -0.31 1.56 1.51 -0.86 -4.30 117.35 114.90 3gyr s TYR 286 Ca 0.03 0.00 -0.12 0.00 -1.01 0.00 0.00 57.07 55.98 3gyr s TYR 286 Cb 0.08 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.96 3gyr s TYR 286 CO 0.70 0.21 0.21 0.99 -1.11 0.00 0.00 175.55 176.56 3gyr s THR 287 N -0.08 5.22 0.03 -0.71 2.01 -1.26 -0.17 115.64 120.67 3gyr s THR 287 Ca 0.04 -0.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.77 3gyr s THR 287 Cb -0.13 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 3gyr s THR 287 CO 0.02 0.10 0.53 0.42 -0.69 0.00 0.00 174.62 174.99 3gyr s THR 288 N 1.73 4.86 -0.17 -0.82 -4.23 0.43 -1.88 115.64 115.57 3gyr s THR 288 Ca 0.06 1.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.69 3gyr s THR 288 Cb -0.17 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 69.84 3gyr s THR 288 CO 0.10 0.53 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.82 3gyr s VAL 289 N -0.86 2.16 -1.65 2.29 1.01 0.14 -1.52 120.40 121.97 3gyr s VAL 289 Ca 0.28 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 3gyr s VAL 289 Cb -0.18 -1.89 0.12 0.00 0.00 0.00 0.00 36.38 34.43 3gyr s VAL 289 CO 0.17 0.54 0.64 0.59 0.00 0.00 0.00 175.10 177.03 3gyr n ASN 290 N 4.40 -2.26 -0.19 3.32 3.02 -0.32 -1.25 115.26 121.98 3gyr n ASN 290 Ca -0.20 -1.05 -0.02 0.00 -0.03 0.00 0.00 54.58 53.27 3gyr n ASN 290 Cb 0.51 -2.61 -0.01 0.00 -0.61 0.00 0.00 39.78 37.05 3gyr n ASN 290 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gyr n GLY 291 N -1.57 0.58 3.11 7.41 0.00 -1.26 -4.37 105.19 109.09 3gyr n GLY 291 Ca -0.03 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 3gyr n GLY 291 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 292 N -1.81 1.24 -0.00 1.61 0.52 -0.38 -4.51 118.95 115.61 3gyr s ARG 292 Ca 0.00 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.40 3gyr s ARG 292 Cb 0.00 -1.17 -0.05 0.00 0.52 0.00 0.00 34.95 34.24 3gyr s ARG 292 CO 0.00 0.29 1.39 0.42 0.02 0.00 0.00 175.30 177.42 3gyr s ILE 293 N -0.24 3.74 -1.11 1.52 1.01 -0.21 0.29 121.20 126.19 3gyr s ILE 293 Ca 0.04 1.12 -0.25 0.00 0.00 0.00 0.00 60.65 61.56 3gyr s ILE 293 Cb -0.07 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.71 3gyr s ILE 293 CO -0.00 -0.00 0.68 0.79 0.00 0.00 0.00 174.94 176.41 3gyr n TRP 294 N 5.36 -1.64 -1.85 3.97 8.01 -0.78 -4.72 117.44 125.79 3gyr n TRP 294 Ca 0.13 0.31 -0.30 0.00 -1.31 0.00 0.00 57.50 56.33 3gyr n TRP 294 Cb 0.44 -2.89 0.05 0.00 -2.01 0.00 0.00 31.31 26.89 3gyr n TRP 294 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 3gyr s PRO 295 N -6.59 2.79 0.06 -0.99 0.04 -1.26 -0.19 135.00 128.86 3gyr s PRO 295 Ca 0.37 0.48 0.04 0.00 0.04 0.00 0.00 61.00 61.93 3gyr s PRO 295 Cb -0.19 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3gyr s PRO 295 CO 0.94 -1.09 -0.03 1.52 0.04 0.00 0.00 177.00 178.38 3gyr s TYR 296 N -3.34 2.95 -0.12 0.56 -0.85 -0.76 -2.00 117.35 113.78 3gyr s TYR 296 Ca 0.58 -0.03 0.02 0.00 -0.52 0.00 0.00 57.07 57.13 3gyr s TYR 296 Cb -0.11 -1.55 0.00 0.00 0.38 0.00 0.00 41.96 40.67 3gyr s TYR 296 CO 0.52 0.45 -0.20 0.00 -1.52 0.00 0.00 175.55 174.79 3gyr s ALA 297 N -1.20 2.31 -0.15 9.51 0.00 0.18 -0.03 121.76 132.37 3gyr s ALA 297 Ca 0.23 -1.00 -0.24 0.00 0.00 0.00 0.00 51.96 50.94 3gyr s ALA 297 Cb -0.11 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 3gyr s ALA 297 CO 0.14 0.15 0.78 -0.51 0.00 0.00 0.00 175.76 176.33 3gyr s ASP 298 N 0.54 6.93 0.13 0.00 1.01 -1.26 -0.45 116.67 123.56 3gyr s ASP 298 Ca -0.12 1.13 0.03 0.00 0.71 0.00 0.00 52.55 54.30 3gyr s ASP 298 Cb -0.17 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3gyr s ASP 298 CO 0.04 -0.33 -0.08 0.68 0.21 0.00 0.00 175.17 175.69 3gyr s VAL 299 N 1.88 0.96 0.42 -1.27 -7.23 -0.54 -4.93 120.40 109.69 3gyr s VAL 299 Ca 0.37 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.49 3gyr s VAL 299 Cb -0.17 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 3gyr s VAL 299 CO 0.13 -0.78 0.69 -1.81 -0.31 0.00 0.00 175.10 173.03 3gyr s ASP 300 N -3.12 6.31 -0.95 4.85 1.01 -1.26 -0.15 116.67 123.36 3gyr s ASP 300 Ca 0.15 0.78 -0.17 0.00 0.71 0.00 0.00 52.55 54.02 3gyr s ASP 300 Cb 0.04 -2.18 -0.10 0.00 1.01 0.00 0.00 42.92 41.69 3gyr s ASP 300 CO -0.01 -0.45 2.05 -0.90 0.21 0.00 0.00 175.17 176.07 3gyr n ASP 301 N -1.93 3.37 -1.44 0.27 5.75 -0.77 -4.77 116.55 117.03 3gyr n ASP 301 Ca -0.01 -2.65 -0.03 0.00 -0.01 0.00 0.00 54.79 52.09 3gyr n ASP 301 Cb 0.55 -1.23 -0.01 0.00 -1.03 0.00 0.00 41.12 39.41 3gyr n ASP 301 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gyr n GLY 302 N 4.29 2.92 3.73 6.12 0.00 -1.26 -3.77 105.19 117.23 3gyr n GLY 302 Ca 0.50 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 3gyr n GLY 302 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gyr s TRP 303 N -4.55 3.64 0.13 1.61 0.52 -1.26 -1.57 118.94 117.46 3gyr s TRP 303 Ca 0.06 1.32 0.09 0.00 0.02 0.00 0.00 56.10 57.60 3gyr s TRP 303 Cb -0.00 -2.79 -0.04 0.00 -1.15 0.00 0.00 33.47 29.49 3gyr s TRP 303 CO 0.05 0.18 -0.22 0.71 0.02 0.00 0.00 176.95 177.69 3gyr s TYR 304 N 0.40 1.91 -0.21 -1.98 1.51 -0.82 -4.79 117.35 113.38 3gyr s TYR 304 Ca 0.37 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.99 3gyr s TYR 304 Cb -0.19 -1.02 -0.00 0.00 -0.11 0.00 0.00 41.96 40.64 3gyr s TYR 304 CO 0.20 0.27 -0.08 0.50 -1.11 0.00 0.00 175.55 175.33 3gyr s ARG 305 N -2.16 3.30 -0.15 -0.62 3.52 0.87 -0.55 118.95 123.15 3gyr s ARG 305 Ca 0.10 -0.67 -0.04 0.00 -0.13 0.00 0.00 55.73 54.99 3gyr s ARG 305 Cb -0.09 -2.90 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 3gyr s ARG 305 CO 0.05 -0.18 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.84 3gyr s LEU 306 N 1.38 3.39 -0.88 -0.88 1.43 0.32 -0.83 118.68 122.60 3gyr s LEU 306 Ca 0.05 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 3gyr s LEU 306 Cb -0.14 -1.82 0.23 0.00 0.03 0.00 0.00 46.19 44.49 3gyr s LEU 306 CO -0.05 0.19 0.82 -0.13 0.23 0.00 0.00 176.35 177.41 3gyr s ARG 307 N 0.24 3.63 -0.26 1.70 1.81 -0.57 -0.37 118.95 125.14 3gyr s ARG 307 Ca -0.01 -2.71 -0.19 0.00 -1.72 0.00 0.00 55.73 51.09 3gyr s ARG 307 Cb -0.14 -4.36 -0.02 0.00 -0.45 0.00 0.00 34.95 29.98 3gyr s ARG 307 CO 0.02 -1.26 0.57 -1.17 -0.68 0.00 0.00 175.30 172.78 3gyr s LEU 308 N -0.32 4.06 -0.04 2.53 2.96 -0.07 -1.05 118.68 126.75 3gyr s LEU 308 Ca 0.22 0.60 0.04 0.00 -0.22 0.00 0.00 54.13 54.78 3gyr s LEU 308 Cb -0.11 -2.75 -0.00 0.00 0.50 0.00 0.00 46.19 43.83 3gyr s LEU 308 CO -0.08 -0.33 -0.18 0.54 -1.32 0.00 0.00 176.35 174.98 3gyr s VAL 309 N 2.40 1.46 -0.48 1.68 0.11 -0.28 0.14 120.40 125.42 3gyr s VAL 309 Ca 0.23 -0.74 -0.25 0.00 -2.93 0.00 0.00 61.98 58.30 3gyr s VAL 309 Cb -0.16 -1.25 0.03 0.00 -1.53 0.00 0.00 36.38 33.48 3gyr s VAL 309 CO 0.09 0.42 0.91 0.21 -3.33 0.00 0.00 175.10 173.39 3gyr s ASN 310 N -0.02 6.45 -0.21 3.54 3.84 -1.21 -1.78 114.94 125.56 3gyr s ASN 310 Ca -0.03 -0.01 0.15 0.00 0.21 0.00 0.00 52.86 53.19 3gyr s ASN 310 Cb -0.11 -2.44 0.77 0.00 -0.55 0.00 0.00 41.25 38.92 3gyr s ASN 310 CO 0.02 -1.06 1.69 0.00 -2.79 0.00 0.00 177.10 174.96 3gyr n ALA 311 N 7.15 3.63 -1.76 1.71 0.00 0.11 -0.15 120.51 131.20 3gyr n ALA 311 Ca 0.05 -1.90 -0.37 0.00 0.00 0.00 0.00 53.44 51.22 3gyr n ALA 311 Cb 0.48 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.89 3gyr n ALA 311 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gyr s SER 312 N -0.93 5.73 0.24 0.00 0.01 -1.24 -4.85 113.70 112.67 3gyr s SER 312 Ca 0.53 2.42 -0.06 0.00 1.31 0.00 0.00 55.95 60.15 3gyr s SER 312 Cb 0.39 -2.61 0.43 0.00 0.21 0.00 0.00 66.02 64.44 3gyr s SER 312 CO 0.17 -1.22 1.71 0.78 0.41 0.00 0.00 173.24 175.08 3gyr h ASN 313 N 1.62 0.11 0.00 2.44 4.21 -1.88 -3.44 115.58 118.64 3gyr h ASN 313 Ca -0.50 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.14 3gyr h ASN 313 Cb 1.27 0.15 0.00 0.00 -1.12 0.00 0.00 38.32 38.62 3gyr h ASN 313 CO 0.58 0.02 0.00 0.00 -1.29 0.00 0.00 177.43 176.75 3gyr n ALA 314 N -2.59 0.61 -1.69 -0.83 0.00 -1.25 -1.08 120.51 113.68 3gyr n ALA 314 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.13 3gyr n ALA 314 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 3gyr n ALA 314 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3gyr n ARG 315 N -0.61 2.22 -3.35 0.00 0.63 -1.26 -4.70 116.66 109.60 3gyr n ARG 315 Ca 0.00 0.79 -0.39 0.00 -0.92 0.00 0.00 57.85 57.33 3gyr n ARG 315 Cb 0.00 -2.50 -0.08 0.00 0.45 0.00 0.00 32.46 30.32 3gyr n ARG 315 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3gyr s ILE 316 N 0.19 5.15 -0.11 5.15 1.01 -1.26 -3.80 121.20 127.54 3gyr s ILE 316 Ca 0.70 0.71 -0.24 0.00 0.00 0.00 0.00 60.65 61.82 3gyr s ILE 316 Cb -0.62 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 3gyr s ILE 316 CO 0.46 0.17 0.72 -0.31 0.00 0.00 0.00 174.94 175.99 3gyr s TYR 317 N 1.85 3.51 -0.81 3.97 2.02 -0.39 -4.90 117.35 122.59 3gyr s TYR 317 Ca 0.18 1.21 -0.08 0.00 -0.37 0.00 0.00 57.07 58.01 3gyr s TYR 317 Cb -0.15 -2.86 0.21 0.00 -0.40 0.00 0.00 41.96 38.76 3gyr s TYR 317 CO 0.09 -0.03 0.71 -0.80 -1.57 0.00 0.00 175.55 173.95 3gyr s ASN 318 N 0.95 6.24 0.26 2.29 -0.87 -1.26 0.15 114.94 122.69 3gyr s ASN 318 Ca 0.37 -3.00 -0.29 0.00 -1.57 0.00 0.00 52.86 48.36 3gyr s ASN 318 Cb -0.17 -2.06 -0.09 0.00 -0.02 0.00 0.00 41.25 38.91 3gyr s ASN 318 CO 0.16 -0.42 0.95 -0.76 -2.57 0.00 0.00 177.10 174.45 3gyr s LEU 319 N -0.30 4.59 -0.01 0.60 1.43 0.94 -0.96 118.68 124.97 3gyr s LEU 319 Ca 0.21 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.26 3gyr s LEU 319 Cb -0.13 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.42 3gyr s LEU 319 CO -0.07 0.11 -0.02 -0.69 0.23 0.00 0.00 176.35 175.90 3gyr s VAL 320 N -1.25 0.23 -0.16 -1.59 1.01 -0.39 -0.80 120.40 117.44 3gyr s VAL 320 Ca 0.43 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 3gyr s VAL 320 Cb -0.25 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3gyr s VAL 320 CO 0.31 0.09 0.49 -0.22 0.00 0.00 0.00 175.10 175.77 3gyr s LEU 321 N 0.24 4.20 0.13 3.92 2.96 -1.26 -0.89 118.68 127.98 3gyr s LEU 321 Ca -0.02 0.72 0.06 0.00 -0.22 0.00 0.00 54.13 54.66 3gyr s LEU 321 Cb -0.05 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 3gyr s LEU 321 CO -0.01 -0.09 -0.13 0.27 -1.32 0.00 0.00 176.35 175.07 3gyr s ILE 322 N 1.16 1.28 0.00 6.68 -4.36 -0.04 -1.20 121.20 124.73 3gyr s ILE 322 Ca 0.24 -1.77 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 3gyr s ILE 322 Cb -0.15 -1.57 0.00 0.00 1.25 0.00 0.00 42.46 41.99 3gyr s ILE 322 CO 0.10 -0.48 0.00 -0.90 0.24 0.00 0.00 174.94 173.89 3gyr n ASP 323 N 0.40 0.00 0.28 4.36 5.68 -0.10 -0.41 116.55 126.76 3gyr n ASP 323 Ca -0.14 -0.96 0.17 0.00 -0.50 0.00 0.00 54.79 53.36 3gyr n ASP 323 Cb 0.58 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.33 3gyr n ASP 323 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3gyr h GLU 324 N 0.00 0.00 -0.54 0.11 3.07 -1.89 0.20 114.58 115.54 3gyr h GLU 324 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gyr h GLU 324 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3gyr h GLU 324 CO 0.00 0.03 0.00 -0.25 -1.40 0.00 0.00 179.01 177.39 3gyr n ASP 325 N -3.17 2.87 0.00 1.42 8.00 -1.26 -4.94 116.55 119.47 3gyr n ASP 325 Ca -0.00 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.48 3gyr n ASP 325 Cb 0.27 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3gyr n ASP 325 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gyr n ASP 326 N 1.04 -2.28 -4.69 -2.24 9.92 0.06 -5.01 116.55 113.35 3gyr n ASP 326 Ca 0.18 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.01 3gyr n ASP 326 Cb 0.46 -1.12 -0.03 0.00 -0.64 0.00 0.00 41.12 39.79 3gyr n ASP 326 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3gyr s ARG 327 N -0.47 4.30 0.34 -1.24 3.52 -1.26 -4.71 118.95 119.43 3gyr s ARG 327 Ca 0.00 1.91 -0.28 0.00 -0.13 0.00 0.00 55.73 57.23 3gyr s ARG 327 Cb 0.00 -3.57 -0.12 0.00 -1.56 0.00 0.00 34.95 29.70 3gyr s ARG 327 CO 0.00 -0.55 1.29 -2.30 -0.81 0.00 0.00 175.30 172.93 3gyr n PRO 328 N 5.32 2.13 -3.56 5.12 -0.02 -1.26 -0.92 135.00 141.81 3gyr n PRO 328 Ca 0.13 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.94 3gyr n PRO 328 Cb 0.44 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 3gyr n PRO 328 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gyr s VAL 329 N -1.10 4.37 0.73 -1.45 1.01 -0.34 -4.88 120.40 118.75 3gyr s VAL 329 Ca 0.55 -1.43 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 3gyr s VAL 329 Cb -0.57 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.14 3gyr s VAL 329 CO 0.62 -0.57 1.09 -2.16 0.00 0.00 0.00 175.10 174.08 3gyr s PRO 330 N 1.44 2.63 -0.81 2.72 0.04 -1.26 -4.47 135.00 135.30 3gyr s PRO 330 Ca 0.04 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.69 3gyr s PRO 330 Cb -0.24 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3gyr s PRO 330 CO 0.02 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.24 3gyr n GLY 331 N -2.52 0.45 0.00 0.56 0.00 -1.26 -4.82 105.19 97.61 3gyr n GLY 331 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3gyr n GLY 331 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gyr n VAL 332 N -3.47 0.00 -4.12 1.61 0.31 -1.26 -4.91 118.33 106.48 3gyr n VAL 332 Ca -0.09 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.88 3gyr n VAL 332 Cb 0.45 -0.42 -0.09 0.00 -0.91 0.00 0.00 33.84 32.87 3gyr n VAL 332 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3gyr s VAL 333 N -1.58 4.76 -0.03 2.52 1.01 -1.26 -0.20 120.40 125.62 3gyr s VAL 333 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.92 3gyr s VAL 333 Cb 0.00 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.33 3gyr s VAL 333 CO 0.00 0.56 -0.01 -1.00 0.00 0.00 0.00 175.10 174.64 3gyr s HIS 334 N -0.44 0.41 -0.13 5.22 3.76 0.01 -0.89 115.29 123.23 3gyr s HIS 334 Ca 0.09 -0.05 -0.20 0.00 -0.15 0.00 0.00 55.06 54.76 3gyr s HIS 334 Cb -0.12 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 33.07 3gyr s HIS 334 CO 0.02 -0.14 0.55 -1.14 -0.85 0.00 0.00 174.74 173.18 3gyr s GLN 335 N 0.96 4.32 0.00 1.40 0.74 0.82 -0.06 119.66 127.84 3gyr s GLN 335 Ca -0.10 0.56 0.05 0.00 0.05 0.00 0.00 55.36 55.91 3gyr s GLN 335 Cb -0.14 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.47 3gyr s GLN 335 CO -0.01 0.04 0.33 0.44 -0.55 0.00 0.00 175.29 175.53 3gyr n ILE 336 N 3.97 0.00 -3.87 -2.34 -5.35 0.84 -0.60 119.36 112.00 3gyr n ILE 336 Ca -0.05 -0.42 -0.07 0.00 -0.27 0.00 0.00 62.75 61.94 3gyr n ILE 336 Cb 0.51 1.03 -0.02 0.00 -1.74 0.00 0.00 39.64 39.42 3gyr n ILE 336 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3gyr s GLY 337 N -1.17 0.02 0.00 3.28 0.00 -1.05 -0.62 107.32 107.78 3gyr s GLY 337 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.34 3gyr s GLY 337 CO 0.16 -0.17 0.00 -1.14 0.00 0.00 0.00 173.10 171.95 3gyr n SER 338 N -0.53 0.00 -0.37 1.64 3.41 -0.70 -1.73 113.62 115.34 3gyr n SER 338 Ca -0.04 -0.74 -0.01 0.00 -0.26 0.00 0.00 58.87 57.82 3gyr n SER 338 Cb 0.59 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.58 3gyr n SER 338 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gyr n ASP 339 N -1.61 -0.63 -1.29 4.04 8.00 -1.19 -1.73 116.55 122.14 3gyr n ASP 339 Ca 0.00 1.68 0.10 0.00 0.71 0.00 0.00 54.79 57.28 3gyr n ASP 339 Cb 0.00 -0.38 0.31 0.00 -0.02 0.00 0.00 41.12 41.02 3gyr n ASP 339 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gyr n GLY 340 N -1.45 2.61 0.00 0.44 0.00 -0.59 -4.37 105.19 101.82 3gyr n GLY 340 Ca 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3gyr n GLY 340 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 341 N 1.37 0.63 3.63 -0.02 0.00 -0.71 -4.79 105.19 105.31 3gyr n GLY 341 Ca 0.23 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 3gyr n GLY 341 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gyr n LEU 342 N 0.00 2.67 -4.85 0.99 4.77 -1.26 -1.72 117.00 117.60 3gyr n LEU 342 Ca 0.00 1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 56.80 3gyr n LEU 342 Cb 0.00 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 3gyr n LEU 342 CO 0.00 -1.14 0.71 -0.76 -1.33 0.00 0.00 177.39 174.87 3gyr s LEU 343 N -0.40 3.34 0.29 2.23 1.43 0.21 -4.67 118.68 121.12 3gyr s LEU 343 Ca 0.59 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 3gyr s LEU 343 Cb -0.60 -4.49 0.51 0.00 0.03 0.00 0.00 46.19 41.64 3gyr s LEU 343 CO 0.59 -0.86 1.89 -0.65 0.23 0.00 0.00 176.35 177.56 3gyr h PRO 344 N 0.02 1.03 -3.38 1.29 0.10 -1.89 -3.27 132.00 125.89 3gyr h PRO 344 Ca -0.45 -0.06 -0.14 0.00 0.10 0.00 0.00 66.00 65.45 3gyr h PRO 344 Cb 1.19 -0.23 -0.21 0.00 0.10 0.00 0.00 31.00 31.85 3gyr h PRO 344 CO 0.61 0.68 -0.44 1.03 0.10 0.00 0.00 178.00 179.98 3gyr s ARG 345 N -5.94 0.50 0.53 1.05 0.52 -1.26 -0.77 118.95 113.58 3gyr s ARG 345 Ca -0.12 -0.28 -0.22 0.00 -0.52 0.00 0.00 55.73 54.59 3gyr s ARG 345 Cb 0.20 0.21 -0.06 0.00 0.52 0.00 0.00 34.95 35.83 3gyr s ARG 345 CO 0.80 -0.12 1.20 -0.35 0.02 0.00 0.00 175.30 176.86 3gyr n PRO 346 N 1.58 1.46 -3.97 3.54 -0.04 -1.26 -4.90 135.00 131.40 3gyr n PRO 346 Ca -0.21 0.54 -0.34 0.00 -0.04 0.00 0.00 63.50 63.44 3gyr n PRO 346 Cb 0.56 -2.38 -0.14 0.00 -0.04 0.00 0.00 33.50 31.50 3gyr n PRO 346 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gyr s VAL 347 N -1.34 2.81 0.24 0.52 1.01 0.24 -4.93 120.40 118.95 3gyr s VAL 347 Ca 0.71 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 3gyr s VAL 347 Cb -0.44 -2.46 -0.10 0.00 0.00 0.00 0.00 36.38 33.38 3gyr s VAL 347 CO 0.50 0.15 1.39 -2.16 0.00 0.00 0.00 175.10 174.98 3gyr s PRO 348 N 1.30 4.31 -0.50 2.72 0.04 -1.26 -0.13 135.00 141.48 3gyr s PRO 348 Ca -0.01 2.23 -0.01 0.00 0.04 0.00 0.00 61.00 63.24 3gyr s PRO 348 Cb -0.17 -3.13 0.13 0.00 0.04 0.00 0.00 34.50 31.37 3gyr s PRO 348 CO -0.04 -0.35 0.28 0.08 0.04 0.00 0.00 177.00 177.01 3gyr s VAL 349 N -0.10 3.26 -2.31 -0.36 1.01 -0.07 -4.89 120.40 116.93 3gyr s VAL 349 Ca 0.57 -2.59 0.19 0.00 0.00 0.00 0.00 61.98 60.16 3gyr s VAL 349 Cb -0.40 -3.21 0.13 0.00 0.00 0.00 0.00 36.38 32.91 3gyr s VAL 349 CO 0.43 -0.77 1.09 0.47 0.00 0.00 0.00 175.10 176.32 3gyr n ASP 350 N 3.95 2.50 -3.65 3.32 8.00 -1.26 -4.19 116.55 125.22 3gyr n ASP 350 Ca 0.03 -1.75 -0.23 0.00 0.71 0.00 0.00 54.79 53.55 3gyr n ASP 350 Cb 0.39 0.06 0.06 0.00 -0.02 0.00 0.00 41.12 41.61 3gyr n ASP 350 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gyr n PHE 351 N 0.94 -2.41 -2.02 1.24 3.01 -0.96 -4.14 117.46 113.12 3gyr n PHE 351 Ca 0.11 0.94 0.00 0.00 1.01 0.00 0.00 57.45 59.51 3gyr n PHE 351 Cb 0.47 -4.69 0.00 0.00 -0.01 0.00 0.00 39.48 35.25 3gyr n PHE 351 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3gyr n ASP 352 N -3.01 0.09 0.09 4.37 3.85 -1.20 -4.79 116.55 115.97 3gyr n ASP 352 Ca -0.11 0.00 -0.17 0.00 -0.71 0.00 0.00 54.79 53.81 3gyr n ASP 352 Cb 0.60 0.00 -0.14 0.00 -1.35 0.00 0.00 41.12 40.23 3gyr n ASP 352 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3gyr h ASP 353 N 0.00 0.44 -0.77 -1.12 3.32 -1.96 0.28 116.42 116.60 3gyr h ASP 353 Ca 0.00 -0.50 0.19 0.00 0.02 0.00 0.00 57.03 56.74 3gyr h ASP 353 Cb 0.00 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 3gyr h ASP 353 CO 0.00 1.40 0.53 0.74 -1.72 0.00 0.00 179.24 180.19 3gyr h THR 354 N 0.08 0.69 -0.68 0.35 2.02 -2.01 -3.38 112.91 109.98 3gyr h THR 354 Ca -0.17 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 3gyr h THR 354 Cb 2.00 0.46 -0.16 0.00 -1.74 0.00 0.00 68.15 68.71 3gyr h THR 354 CO 0.20 0.04 -0.34 -0.22 0.37 0.00 0.00 175.52 175.56 3gyr s LEU 355 N -9.03 -0.99 0.29 2.58 2.96 -1.20 -4.83 118.68 108.46 3gyr s LEU 355 Ca -0.07 -1.08 0.14 0.00 -0.22 0.00 0.00 54.13 52.90 3gyr s LEU 355 Cb 0.21 1.29 0.39 0.00 0.50 0.00 0.00 46.19 48.58 3gyr s LEU 355 CO 0.76 -0.05 1.61 1.55 -1.32 0.00 0.00 176.35 178.90 3gyr h PRO 356 N 4.93 0.00 -4.72 0.98 0.13 -0.64 -2.52 132.00 130.15 3gyr h PRO 356 Ca 0.03 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.84 3gyr h PRO 356 Cb 1.14 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.04 3gyr h PRO 356 CO -0.03 0.56 -0.75 0.14 -0.23 0.00 0.00 178.00 177.69 3gyr s VAL 357 N -3.45 0.67 -0.55 1.56 -7.23 -1.26 -4.50 120.40 105.63 3gyr s VAL 357 Ca -0.00 -0.93 -0.25 0.00 -1.81 0.00 0.00 61.98 58.99 3gyr s VAL 357 Cb 0.11 -0.67 0.04 0.00 0.56 0.00 0.00 36.38 36.42 3gyr s VAL 357 CO 0.74 -0.21 0.99 -0.22 -0.31 0.00 0.00 175.10 176.09 3gyr s LEU 358 N -1.25 3.97 -0.47 1.32 2.96 0.02 -4.86 118.68 120.37 3gyr s LEU 358 Ca -0.05 -0.25 -0.20 0.00 -0.22 0.00 0.00 54.13 53.42 3gyr s LEU 358 Cb -0.08 -2.91 0.04 0.00 0.50 0.00 0.00 46.19 43.74 3gyr s LEU 358 CO 0.01 -1.27 0.62 -0.55 -1.32 0.00 0.00 176.35 173.84 3gyr s SER 359 N 2.84 6.26 -0.50 3.68 0.15 -1.26 -0.04 113.70 124.83 3gyr s SER 359 Ca 0.33 -0.63 -0.10 0.00 0.70 0.00 0.00 55.95 56.25 3gyr s SER 359 Cb -0.11 -2.30 0.13 0.00 -1.71 0.00 0.00 66.02 62.02 3gyr s SER 359 CO 0.21 -0.83 0.39 0.00 1.20 0.00 0.00 173.24 174.21 3gyr s ALA 360 N 2.71 3.47 0.57 5.45 0.00 0.12 -4.96 121.76 129.12 3gyr s ALA 360 Ca 0.18 -2.60 -0.15 0.00 0.00 0.00 0.00 51.96 49.39 3gyr s ALA 360 Cb -0.17 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 3gyr s ALA 360 CO 0.15 -1.95 1.02 0.00 0.00 0.00 0.00 175.76 174.98 3gyr s ALA 361 N 1.30 2.94 -0.17 0.00 0.00 -1.26 -1.27 121.76 123.30 3gyr s ALA 361 Ca 0.06 0.19 -0.42 0.00 0.00 0.00 0.00 51.96 51.79 3gyr s ALA 361 Cb -0.26 -3.15 -0.20 0.00 0.00 0.00 0.00 23.12 19.51 3gyr s ALA 361 CO -0.01 -0.56 1.24 -2.30 0.00 0.00 0.00 175.76 174.13 3gyr n PRO 362 N -2.04 0.00 0.00 0.00 -0.02 -1.25 -1.87 135.00 129.82 3gyr n PRO 362 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3gyr n PRO 362 Cb 0.54 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 3gyr n PRO 362 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gyr n ALA 363 N 2.34 0.00 -1.76 3.55 0.00 0.78 -4.95 120.51 120.46 3gyr n ALA 363 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.29 3gyr n ALA 363 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.49 3gyr n ALA 363 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gyr s GLU 364 N -0.10 3.65 0.02 0.00 2.02 -0.78 -4.87 118.70 118.64 3gyr s GLU 364 Ca 0.00 2.00 0.05 0.00 0.02 0.00 0.00 54.97 57.04 3gyr s GLU 364 Cb 0.00 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.74 3gyr s GLU 364 CO 0.00 -0.70 -0.13 1.03 0.02 0.00 0.00 175.26 175.48 3gyr s ARG 365 N -2.63 2.32 -0.15 1.61 0.52 -1.26 -3.35 118.95 116.01 3gyr s ARG 365 Ca 0.64 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 55.00 3gyr s ARG 365 Cb -0.34 -2.34 0.04 0.00 0.52 0.00 0.00 34.95 32.83 3gyr s ARG 365 CO 0.42 0.57 -0.04 -0.06 0.02 0.00 0.00 175.30 176.21 3gyr s PHE 366 N -0.94 1.55 -0.51 -0.53 0.08 0.12 -3.56 117.98 114.19 3gyr s PHE 366 Ca 0.16 -0.96 -0.20 0.00 0.12 0.00 0.00 56.93 56.04 3gyr s PHE 366 Cb -0.11 -1.25 0.05 0.00 -0.57 0.00 0.00 43.02 41.15 3gyr s PHE 366 CO 0.06 -0.58 0.70 0.34 -0.10 0.00 0.00 175.22 175.63 3gyr s ASP 367 N 1.68 6.26 -0.10 1.36 -1.08 -0.71 -0.89 116.67 123.20 3gyr s ASP 367 Ca 0.01 -0.71 0.01 0.00 -0.52 0.00 0.00 52.55 51.35 3gyr s ASP 367 Cb -0.15 -2.33 -0.02 0.00 -1.46 0.00 0.00 42.92 38.96 3gyr s ASP 367 CO -0.08 -0.95 -0.12 -0.76 0.52 0.00 0.00 175.17 173.78 3gyr s LEU 368 N 2.95 2.82 -0.06 -1.34 1.43 0.50 -0.12 118.68 124.86 3gyr s LEU 368 Ca 0.20 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3gyr s LEU 368 Cb -0.17 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3gyr s LEU 368 CO 0.15 0.24 0.14 -0.76 0.23 0.00 0.00 176.35 176.34 3gyr s LEU 369 N -0.07 4.28 -0.10 1.79 1.43 0.91 0.12 118.68 127.04 3gyr s LEU 369 Ca -0.02 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3gyr s LEU 369 Cb -0.14 -2.31 0.04 0.00 0.03 0.00 0.00 46.19 43.81 3gyr s LEU 369 CO 0.04 0.33 0.02 -0.69 0.23 0.00 0.00 176.35 176.28 3gyr s VAL 370 N -1.17 0.30 -0.72 -1.59 1.01 0.29 -0.81 120.40 117.72 3gyr s VAL 370 Ca 0.21 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 3gyr s VAL 370 Cb -0.12 -0.57 0.14 0.00 0.00 0.00 0.00 36.38 35.83 3gyr s VAL 370 CO 0.11 0.13 0.80 -0.62 0.00 0.00 0.00 175.10 175.52 3gyr s ASP 371 N 1.99 6.43 -0.02 3.32 2.15 0.71 -1.94 116.67 129.31 3gyr s ASP 371 Ca 0.04 -1.92 0.13 0.00 0.43 0.00 0.00 52.55 51.24 3gyr s ASP 371 Cb -0.13 -2.29 0.43 0.00 -0.30 0.00 0.00 42.92 40.62 3gyr s ASP 371 CO -0.06 -0.95 1.33 0.49 -0.17 0.00 0.00 175.17 175.82 3gyr n PHE 372 N 5.69 0.73 0.13 -5.34 3.72 -0.61 -4.54 117.46 117.24 3gyr n PHE 372 Ca 0.03 -0.33 0.08 0.00 -0.05 0.00 0.00 57.45 57.17 3gyr n PHE 372 Cb 0.45 -0.06 0.55 0.00 -0.94 0.00 0.00 39.48 39.49 3gyr n PHE 372 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gyr h ARG 373 N 2.68 0.22 -1.00 -1.08 3.08 -1.73 -1.44 114.38 115.11 3gyr h ARG 373 Ca 0.00 -0.01 -0.43 0.00 0.07 0.00 0.00 59.98 59.60 3gyr h ARG 373 Cb 0.75 -0.05 -0.26 0.00 0.08 0.00 0.00 29.97 30.49 3gyr h ARG 373 CO 0.05 0.15 0.55 0.00 -1.07 0.00 0.00 179.97 179.65 3gyr n ALA 374 N -2.52 5.09 -1.57 0.04 0.00 -1.26 -4.48 120.51 115.81 3gyr n ALA 374 Ca 0.01 -2.41 0.01 0.00 0.00 0.00 0.00 53.44 51.05 3gyr n ALA 374 Cb 0.13 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.22 3gyr n ALA 374 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gyr n LEU 375 N -0.87 0.41 -4.60 0.00 4.77 -0.54 -5.06 117.00 111.10 3gyr n LEU 375 Ca 0.50 -1.12 -0.41 0.00 -0.03 0.00 0.00 56.01 54.94 3gyr n LEU 375 Cb 1.48 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 42.52 3gyr n LEU 375 CO 0.51 0.27 0.57 0.61 -1.33 0.00 0.00 177.39 178.01 3gyr n GLY 376 N -0.22 -0.26 2.66 -0.72 0.00 -1.26 -1.57 105.19 103.82 3gyr n GLY 376 Ca 0.02 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3gyr n GLY 376 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 377 N 1.21 1.36 3.74 -0.02 0.00 0.21 -4.77 105.19 106.92 3gyr n GLY 377 Ca 0.10 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3gyr n GLY 377 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 378 N -3.13 2.63 -0.15 1.61 1.81 -0.61 -4.94 118.95 116.16 3gyr s ARG 378 Ca 0.00 -1.21 0.01 0.00 -1.72 0.00 0.00 55.73 52.81 3gyr s ARG 378 Cb 0.00 -2.38 0.02 0.00 -0.45 0.00 0.00 34.95 32.14 3gyr s ARG 378 CO 0.00 0.39 -0.16 1.03 -0.68 0.00 0.00 175.30 175.88 3gyr s ARG 379 N -3.69 2.52 0.00 3.54 0.52 -1.26 -0.85 118.95 119.73 3gyr s ARG 379 Ca 0.32 -0.65 0.07 0.00 -0.52 0.00 0.00 55.73 54.95 3gyr s ARG 379 Cb -0.07 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 3gyr s ARG 379 CO 0.22 -0.20 -0.22 -0.51 0.02 0.00 0.00 175.30 174.61 3gyr s LEU 380 N 1.36 2.08 -0.01 2.53 1.43 -0.58 -3.54 118.68 121.94 3gyr s LEU 380 Ca 0.03 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.77 3gyr s LEU 380 Cb -0.13 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 3gyr s LEU 380 CO -0.10 0.24 -0.21 -0.13 0.23 0.00 0.00 176.35 176.37 3gyr s ARG 381 N -0.70 2.19 -0.15 1.70 0.52 0.45 0.39 118.95 123.35 3gyr s ARG 381 Ca 0.08 -0.88 -0.21 0.00 -0.52 0.00 0.00 55.73 54.20 3gyr s ARG 381 Cb -0.08 -2.16 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 3gyr s ARG 381 CO -0.00 0.57 0.61 -1.17 0.02 0.00 0.00 175.30 175.33 3gyr s LEU 382 N -0.82 4.21 0.14 2.53 2.96 0.99 -0.86 118.68 127.84 3gyr s LEU 382 Ca 0.11 0.91 0.07 0.00 -0.22 0.00 0.00 54.13 55.00 3gyr s LEU 382 Cb -0.10 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 3gyr s LEU 382 CO 0.01 -0.18 -0.16 0.68 -1.32 0.00 0.00 176.35 175.38 3gyr s VAL 383 N 1.39 1.53 -0.20 1.68 -7.23 -0.07 -1.89 120.40 115.61 3gyr s VAL 383 Ca 0.30 -1.80 -0.23 0.00 -1.81 0.00 0.00 61.98 58.44 3gyr s VAL 383 Cb -0.16 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 3gyr s VAL 383 CO 0.12 -0.38 0.73 -0.62 -0.31 0.00 0.00 175.10 174.64 3gyr s ASP 384 N -2.55 6.79 -0.12 4.85 2.15 0.59 -1.26 116.67 127.12 3gyr s ASP 384 Ca 0.12 0.97 -0.22 0.00 0.43 0.00 0.00 52.55 53.85 3gyr s ASP 384 Cb -0.05 -2.40 -0.03 0.00 -0.30 0.00 0.00 42.92 40.14 3gyr s ASP 384 CO 0.04 -0.36 0.65 -0.75 -0.17 0.00 0.00 175.17 174.58 3gyr s LYS 385 N 2.18 4.34 0.37 4.34 2.20 -0.13 -4.55 119.74 128.49 3gyr s LYS 385 Ca 0.33 0.73 -0.10 0.00 -0.36 0.00 0.00 55.97 56.57 3gyr s LYS 385 Cb -0.16 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 32.60 3gyr s LYS 385 CO 0.10 -0.04 0.72 0.20 -0.36 0.00 0.00 175.35 175.97 3gyr s GLY 386 N 0.92 1.98 0.52 5.54 0.00 -1.26 -4.65 107.32 110.36 3gyr s GLY 386 Ca 0.33 -0.25 0.18 0.00 0.00 0.00 0.00 44.72 44.98 3gyr s GLY 386 CO 0.14 -0.08 2.10 -0.56 0.00 0.00 0.00 173.10 174.70 3gyr h PRO 387 N 1.49 0.03 -0.57 2.90 0.13 -1.92 -3.16 132.00 130.89 3gyr h PRO 387 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3gyr h PRO 387 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3gyr h PRO 387 CO 0.65 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.85 3gyr n GLY 388 N -1.57 2.41 3.47 1.56 0.00 -1.26 -4.95 105.19 104.86 3gyr n GLY 388 Ca 0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 3gyr n GLY 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyr s ALA 389 N -1.06 -1.64 0.67 4.61 0.00 -1.20 -5.04 121.76 118.11 3gyr s ALA 389 Ca 0.40 1.00 -0.17 0.00 0.00 0.00 0.00 51.96 53.19 3gyr s ALA 389 Cb 0.21 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 3gyr s ALA 389 CO 0.28 -0.47 1.03 -2.30 0.00 0.00 0.00 175.76 174.29 3gyr n PRO 390 N 0.57 0.73 -1.63 0.00 -0.02 -1.26 -4.24 135.00 129.14 3gyr n PRO 390 Ca -0.19 0.30 -0.50 0.00 -2.02 0.00 0.00 63.50 61.10 3gyr n PRO 390 Cb 0.59 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 3gyr n PRO 390 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gyr n ALA 391 N -2.18 0.07 0.00 3.55 0.00 -1.26 -0.29 120.51 120.39 3gyr n ALA 391 Ca 0.14 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3gyr n ALA 391 Cb 0.49 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3gyr n ALA 391 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyr n GLY 392 N 3.00 2.57 3.75 0.00 0.00 -1.26 -4.90 105.19 108.36 3gyr n GLY 392 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3gyr n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gyr s THR 393 N -2.34 5.26 0.44 2.61 2.01 0.60 -4.89 115.64 119.33 3gyr s THR 393 Ca 0.00 0.62 -0.26 0.00 0.31 0.00 0.00 61.69 62.37 3gyr s THR 393 Cb 0.00 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 3gyr s THR 393 CO 0.00 0.42 1.42 -2.84 -0.69 0.00 0.00 174.62 172.93 3gyr s PRO 394 N 0.18 3.75 -0.39 4.92 0.02 -1.26 -4.70 135.00 137.52 3gyr s PRO 394 Ca 0.19 2.41 0.09 0.00 0.02 0.00 0.00 61.00 63.71 3gyr s PRO 394 Cb -0.14 -2.69 0.28 0.00 0.02 0.00 0.00 34.50 31.97 3gyr s PRO 394 CO 0.06 -0.76 0.59 -3.47 -0.33 0.00 0.00 177.00 173.09 3gyr n ASP 395 N -0.11 0.44 -0.23 2.53 2.03 0.27 -4.89 116.55 116.59 3gyr n ASP 395 Ca 0.05 -2.80 -0.02 0.00 0.52 0.00 0.00 54.79 52.54 3gyr n ASP 395 Cb 0.42 -0.63 0.10 0.00 -0.72 0.00 0.00 41.12 40.28 3gyr n ASP 395 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3gyr h PRO 396 N 3.69 0.67 -0.95 -0.67 0.13 -1.83 0.33 132.00 133.37 3gyr h PRO 396 Ca 0.08 -0.04 0.16 0.00 -0.87 0.00 0.00 66.00 65.33 3gyr h PRO 396 Cb 0.90 -0.15 -0.08 0.00 0.13 0.00 0.00 31.00 31.80 3gyr h PRO 396 CO 0.48 0.45 0.60 -0.07 -0.23 0.00 0.00 178.00 179.23 3gyr h LEU 397 N 0.69 0.70 -0.72 1.56 3.38 -1.91 0.72 115.31 119.74 3gyr h LEU 397 Ca 0.30 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3gyr h LEU 397 Cb 0.17 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3gyr h LEU 397 CO -0.18 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.28 3gyr n GLY 398 N -1.40 -0.12 1.66 0.83 0.00 -0.39 -4.83 105.19 100.94 3gyr n GLY 398 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3gyr n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 399 N 0.90 0.55 2.73 -0.02 0.00 0.24 -4.62 105.19 104.97 3gyr n GLY 399 Ca 0.11 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 3gyr n GLY 399 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyr s VAL 400 N -2.00 1.92 0.14 1.61 1.01 0.10 -4.94 120.40 118.24 3gyr s VAL 400 Ca 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 61.98 58.38 3gyr s VAL 400 Cb 0.00 -2.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.00 3gyr s VAL 400 CO 0.00 -1.05 1.42 -0.09 0.00 0.00 0.00 175.10 175.38 3gyr h ARG 401 N 5.72 0.77 -4.46 2.72 2.43 -1.85 0.78 114.38 120.50 3gyr h ARG 401 Ca 0.15 -0.51 -0.65 0.00 -0.81 0.00 0.00 59.98 58.15 3gyr h ARG 401 Cb 0.83 0.07 -0.40 0.00 -0.42 0.00 0.00 29.97 30.05 3gyr h ARG 401 CO 0.58 1.14 -0.71 0.71 -1.51 0.00 0.00 179.97 180.18 3gyr s TYR 402 N -4.02 3.56 0.44 2.20 4.12 -1.26 -4.49 117.35 117.91 3gyr s TYR 402 Ca -0.10 -2.95 0.10 0.00 0.02 0.00 0.00 57.07 54.15 3gyr s TYR 402 Cb 0.10 -2.83 0.99 0.00 -1.52 0.00 0.00 41.96 38.70 3gyr s TYR 402 CO 0.88 -0.92 2.08 -1.35 0.02 0.00 0.00 175.55 176.26 3gyr h PRO 403 N 7.50 0.37 -5.00 -1.71 0.11 -1.80 -3.45 132.00 128.02 3gyr h PRO 403 Ca -0.05 -0.02 -0.68 0.00 0.11 0.00 0.00 66.00 65.36 3gyr h PRO 403 Cb 1.00 -0.08 0.03 0.00 0.11 0.00 0.00 31.00 32.06 3gyr h PRO 403 CO 0.54 0.24 0.20 0.39 -0.21 0.00 0.00 178.00 179.16 3gyr n GLU 404 N -4.49 0.00 0.01 1.05 4.71 -1.26 -0.30 120.64 120.36 3gyr n GLU 404 Ca 0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.16 3gyr n GLU 404 Cb 0.09 -1.25 -0.00 0.00 -1.01 0.00 0.00 31.44 29.27 3gyr n GLU 404 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3gyr n VAL 405 N 1.84 0.44 -3.76 2.62 0.31 -0.79 -4.51 118.33 114.48 3gyr n VAL 405 Ca 0.19 0.19 -0.09 0.00 -0.01 0.00 0.00 64.34 64.62 3gyr n VAL 405 Cb 0.03 -1.32 -0.03 0.00 -0.91 0.00 0.00 33.84 31.62 3gyr n VAL 405 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gyr s MET 406 N -1.40 1.57 -0.07 5.55 0.23 -1.11 -3.88 119.30 120.20 3gyr s MET 406 Ca -0.02 -0.89 0.02 0.00 -1.03 0.00 0.00 55.69 53.78 3gyr s MET 406 Cb 0.00 0.57 -0.03 0.00 -1.53 0.00 0.00 34.83 33.85 3gyr s MET 406 CO 0.03 -0.70 -0.12 -2.00 -2.03 0.00 0.00 175.02 170.20 3gyr s GLU 407 N -3.89 2.73 -0.22 3.16 2.12 -0.85 -0.00 118.70 121.75 3gyr s GLU 407 Ca 0.10 -0.65 -0.09 0.00 0.36 0.00 0.00 54.97 54.68 3gyr s GLU 407 Cb -0.03 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 3gyr s GLU 407 CO 0.01 0.56 0.12 -0.06 -0.54 0.00 0.00 175.26 175.35 3gyr s PHE 408 N -0.55 3.27 -0.35 5.30 0.40 0.16 0.47 117.98 126.68 3gyr s PHE 408 Ca 0.08 0.11 -0.04 0.00 -0.60 0.00 0.00 56.93 56.48 3gyr s PHE 408 Cb -0.12 -2.20 0.07 0.00 0.51 0.00 0.00 43.02 41.28 3gyr s PHE 408 CO 0.02 0.06 0.10 1.03 0.70 0.00 0.00 175.22 177.13 3gyr s ARG 409 N 0.87 2.39 -0.40 0.44 0.52 0.40 -1.53 118.95 121.63 3gyr s ARG 409 Ca 0.06 -1.40 -0.24 0.00 -0.52 0.00 0.00 55.73 53.62 3gyr s ARG 409 Cb -0.13 -3.42 0.02 0.00 0.52 0.00 0.00 34.95 31.94 3gyr s ARG 409 CO 0.03 -0.78 0.86 0.08 0.02 0.00 0.00 175.30 175.50 3gyr s VAL 410 N 1.28 4.62 0.05 3.52 1.01 -0.03 -1.47 120.40 129.38 3gyr s VAL 410 Ca -0.00 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 3gyr s VAL 410 Cb -0.21 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 3gyr s VAL 410 CO -0.01 -0.60 1.01 -0.60 0.00 0.00 0.00 175.10 174.91 3gyr s ARG 411 N 3.38 4.58 -0.19 2.72 3.52 0.79 0.65 118.95 134.41 3gyr s ARG 411 Ca 0.34 1.49 -0.29 0.00 -0.13 0.00 0.00 55.73 57.14 3gyr s ARG 411 Cb -0.12 -3.41 -0.00 0.00 -1.56 0.00 0.00 34.95 29.85 3gyr s ARG 411 CO 0.20 0.00 1.18 -2.00 -0.81 0.00 0.00 175.30 173.88 3gyr s GLU 412 N 0.65 4.24 0.22 5.12 2.12 -1.26 -1.85 118.70 127.94 3gyr s GLU 412 Ca 0.51 1.54 0.02 0.00 0.36 0.00 0.00 54.97 57.40 3gyr s GLU 412 Cb -0.23 -3.72 0.02 0.00 0.26 0.00 0.00 34.13 30.46 3gyr s GLU 412 CO 0.29 -0.69 0.16 0.25 -0.54 0.00 0.00 175.26 174.73 3gyr n THR 413 N 5.37 0.00 -1.63 -1.70 -2.24 -1.26 -4.95 114.28 107.87 3gyr n THR 413 Ca 0.13 -0.90 -0.06 0.00 -2.27 0.00 0.00 64.05 60.96 3gyr n THR 413 Cb 0.45 -0.28 0.16 0.00 -2.10 0.00 0.00 70.33 68.56 3gyr n THR 413 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gyr s GLU 415 N -3.35 3.40 -0.17 0.00 2.02 -1.26 -5.09 118.70 114.25 3gyr s GLU 415 Ca 0.44 -0.38 -0.12 0.00 0.02 0.00 0.00 54.97 54.94 3gyr s GLU 415 Cb 0.40 -3.05 -0.05 0.00 0.10 0.00 0.00 34.13 31.53 3gyr s GLU 415 CO -0.02 0.65 0.23 -1.21 0.02 0.00 0.00 175.26 174.94 3gyr s GLU 416 N -2.09 4.18 -0.41 1.61 0.41 -1.26 -5.04 118.70 116.11 3gyr s GLU 416 Ca 0.29 -0.01 -0.10 0.00 -0.41 0.00 0.00 54.97 54.74 3gyr s GLU 416 Cb -0.13 -3.41 0.07 0.00 -1.78 0.00 0.00 34.13 28.88 3gyr s GLU 416 CO 0.21 0.30 0.25 0.34 -0.49 0.00 0.00 175.26 175.87 3gyr s ASP 417 N 0.31 5.69 0.00 -0.19 -1.08 -1.26 -4.96 116.67 115.19 3gyr s ASP 417 Ca 0.14 -1.37 0.31 0.00 -0.52 0.00 0.00 52.55 51.10 3gyr s ASP 417 Cb -0.12 -2.01 1.64 0.00 -1.46 0.00 0.00 42.92 40.96 3gyr s ASP 417 CO 0.02 -0.51 2.10 -1.54 0.52 0.00 0.00 175.17 175.76 3gyr n SER 418 N 4.96 0.09 -4.05 -0.34 3.41 -1.26 -4.97 113.62 111.46 3gyr n SER 418 Ca -0.11 -0.57 -0.46 0.00 -0.26 0.00 0.00 58.87 57.46 3gyr n SER 418 Cb 0.44 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 3gyr n SER 418 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3gyr n PHE 419 N -1.09 -0.19 -5.19 7.33 7.35 -1.26 -4.95 117.46 119.45 3gyr n PHE 419 Ca 0.18 0.91 -0.32 0.00 -0.76 0.00 0.00 57.45 57.46 3gyr n PHE 419 Cb 0.20 -1.82 -0.16 0.00 0.35 0.00 0.00 39.48 38.04 3gyr n PHE 419 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3gyr s ALA 420 N -0.69 2.22 -0.42 3.13 0.00 -1.26 -5.10 121.76 119.64 3gyr s ALA 420 Ca 0.65 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 3gyr s ALA 420 Cb -0.93 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 21.45 3gyr s ALA 420 CO 0.52 0.34 0.28 -1.17 0.00 0.00 0.00 175.76 175.72 3gyr s LEU 421 N 0.13 5.12 0.78 0.00 2.96 -1.26 -5.06 118.68 121.36 3gyr s LEU 421 Ca -0.12 -1.25 -0.11 0.00 -0.22 0.00 0.00 54.13 52.43 3gyr s LEU 421 Cb -0.16 -2.06 0.07 0.00 0.50 0.00 0.00 46.19 44.54 3gyr s LEU 421 CO 0.07 -0.51 1.10 -2.16 -1.32 0.00 0.00 176.35 173.53 3gyr s PRO 422 N 1.54 2.11 0.18 0.98 0.04 -1.26 -4.96 135.00 133.63 3gyr s PRO 422 Ca 0.03 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 3gyr s PRO 422 Cb -0.22 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.53 3gyr s PRO 422 CO 0.05 -1.77 1.46 0.93 0.04 0.00 0.00 177.00 177.72 3gyr h GLU 423 N -1.13 0.43 -5.82 4.56 4.39 -1.98 -3.41 114.58 111.63 3gyr h GLU 423 Ca -0.44 -0.33 -0.67 0.00 0.34 0.00 0.00 59.36 58.27 3gyr h GLU 423 Cb 1.24 0.06 -0.17 0.00 -0.10 0.00 0.00 28.75 29.78 3gyr h GLU 423 CO 0.50 0.95 -0.63 0.08 -1.16 0.00 0.00 179.01 178.75 3gyr s VAL 424 N -3.73 4.20 -0.17 3.13 1.01 -1.26 -4.32 120.40 119.26 3gyr s VAL 424 Ca -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3gyr s VAL 424 Cb 0.11 -2.78 -0.10 0.00 0.00 0.00 0.00 36.38 33.61 3gyr s VAL 424 CO 0.84 0.57 -0.17 -0.11 0.00 0.00 0.00 175.10 176.24 3gyr n LEU 425 N 2.51 2.58 -4.24 3.92 7.94 0.05 -4.96 117.00 124.81 3gyr n LEU 425 Ca -0.18 -0.02 -0.33 0.00 -1.11 0.00 0.00 56.01 54.37 3gyr n LEU 425 Cb 0.53 -0.56 -0.16 0.00 0.53 0.00 0.00 43.42 43.76 3gyr n LEU 425 CO 0.29 0.68 -0.50 -0.55 -1.11 0.00 0.00 177.39 176.20 3gyr s SER 426 N -5.83 3.46 0.33 1.96 0.15 -1.08 -4.99 113.70 107.69 3gyr s SER 426 Ca -0.23 -0.51 0.16 0.00 0.70 0.00 0.00 55.95 56.07 3gyr s SER 426 Cb 0.07 -1.51 0.49 0.00 -1.71 0.00 0.00 66.02 63.35 3gyr s SER 426 CO 0.36 0.09 1.65 1.23 1.20 0.00 0.00 173.24 177.78 3gyr h GLY 427 N 7.23 0.00 1.35 9.45 0.00 -1.92 -3.31 103.07 115.87 3gyr h GLY 427 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3gyr h GLY 427 CO 0.55 0.00 -0.61 1.48 0.00 0.00 0.00 176.54 177.97 3gyr h SER 428 N 0.00 0.00 -2.22 0.19 4.64 -1.99 -3.46 113.55 110.71 3gyr h SER 428 Ca -0.00 -0.04 -0.56 0.00 -0.47 0.00 0.00 61.79 60.71 3gyr h SER 428 Cb 1.04 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.15 3gyr h SER 428 CO 0.06 0.02 1.22 0.33 -0.87 0.00 0.00 176.83 177.60 3gyr n PHE 429 N -2.65 2.41 -4.42 4.77 7.35 -1.25 -4.96 117.46 118.72 3gyr n PHE 429 Ca 0.02 -0.25 -0.34 0.00 -0.76 0.00 0.00 57.45 56.12 3gyr n PHE 429 Cb 0.52 -2.76 -0.14 0.00 0.35 0.00 0.00 39.48 37.44 3gyr n PHE 429 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3gyr s ARG 430 N 4.55 3.35 0.12 -4.13 1.81 -1.26 -5.05 118.95 118.34 3gyr s ARG 430 Ca 0.91 -0.68 -0.32 0.00 -1.72 0.00 0.00 55.73 53.93 3gyr s ARG 430 Cb -0.50 -2.76 -0.12 0.00 -0.45 0.00 0.00 34.95 31.12 3gyr s ARG 430 CO 0.44 0.04 1.77 -2.13 -0.68 0.00 0.00 175.30 174.74 3gyr n ARG 431 N 4.04 2.59 -2.13 3.54 3.00 -1.26 -4.98 116.66 121.46 3gyr n ARG 431 Ca -0.18 0.94 -0.42 0.00 -0.00 0.00 0.00 57.85 58.18 3gyr n ARG 431 Cb 0.52 -2.80 -0.03 0.00 0.00 0.00 0.00 32.46 30.16 3gyr n ARG 431 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3gyr s MET 432 N 2.22 4.24 -0.14 -0.14 -1.94 -1.26 -5.02 119.30 117.26 3gyr s MET 432 Ca 0.81 2.07 -0.06 0.00 -1.71 0.00 0.00 55.69 56.80 3gyr s MET 432 Cb -0.55 -3.67 -0.04 0.00 2.01 0.00 0.00 34.83 32.59 3gyr s MET 432 CO 0.38 -0.67 0.06 0.45 -0.01 0.00 0.00 175.02 175.24 3gyr s SER 433 N 2.27 5.70 0.45 3.03 0.15 -1.26 -4.97 113.70 119.06 3gyr s SER 433 Ca 0.67 0.19 0.30 0.00 0.70 0.00 0.00 55.95 57.82 3gyr s SER 433 Cb -0.33 -1.86 1.59 0.00 -1.71 0.00 0.00 66.02 63.71 3gyr s SER 433 CO 0.28 0.28 1.93 -0.74 1.20 0.00 0.00 173.24 176.19 3gyr h HIS 434 N 5.88 0.00 0.00 3.44 2.76 -2.02 -0.90 115.15 124.31 3gyr h HIS 434 Ca -0.45 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.68 3gyr h HIS 434 Cb 1.19 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 3gyr h HIS 434 CO 0.63 0.00 -0.20 -0.44 -1.30 0.00 0.00 177.93 176.62 3gyr h ASP 435 N 0.00 0.00 -3.83 3.26 3.32 -2.02 -3.44 116.42 113.72 3gyr h ASP 435 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3gyr h ASP 435 Cb 0.08 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.70 3gyr h ASP 435 CO 0.00 0.20 0.68 -0.51 -1.72 0.00 0.00 179.24 177.89 3gyr s ILE 436 N -3.84 2.57 0.24 0.35 2.07 -0.34 -4.93 121.20 117.30 3gyr s ILE 436 Ca -0.01 0.56 -0.30 0.00 -1.41 0.00 0.00 60.65 59.49 3gyr s ILE 436 Cb 0.11 -3.36 -0.09 0.00 0.13 0.00 0.00 42.46 39.25 3gyr s ILE 436 CO 0.62 0.13 1.36 -2.84 -1.91 0.00 0.00 174.94 172.30 3gyr s PRO 437 N -1.67 4.34 0.03 3.50 0.02 -1.26 -5.00 135.00 134.97 3gyr s PRO 437 Ca 0.51 2.17 -0.17 0.00 0.02 0.00 0.00 61.00 63.53 3gyr s PRO 437 Cb -0.41 -3.15 0.03 0.00 0.02 0.00 0.00 34.50 30.99 3gyr s PRO 437 CO 0.54 -0.31 0.39 -3.38 -0.33 0.00 0.00 177.00 173.91 3gyr s HIS 438 N -0.10 -0.24 0.92 6.54 -3.43 -1.26 -4.33 115.29 113.40 3gyr s HIS 438 Ca 0.57 0.22 -0.13 0.00 -0.80 0.00 0.00 55.06 54.92 3gyr s HIS 438 Cb -0.39 0.18 0.20 0.00 -1.43 0.00 0.00 32.58 31.14 3gyr s HIS 438 CO 0.42 -0.53 1.26 0.20 -2.00 0.00 0.00 174.74 174.09 3gyr s GLY 439 N -1.87 1.79 -0.02 -1.38 0.00 -0.46 -4.88 107.32 100.50 3gyr s GLY 439 Ca -0.07 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.25 3gyr s GLY 439 CO -0.01 -0.65 0.01 0.30 0.00 0.00 0.00 173.10 172.75 3gyr s HIS 440 N -3.75 0.18 0.05 1.90 3.76 -1.26 -0.89 115.29 115.28 3gyr s HIS 440 Ca 0.74 0.04 0.08 0.00 -0.15 0.00 0.00 55.06 55.77 3gyr s HIS 440 Cb -0.03 -0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.35 3gyr s HIS 440 CO 0.51 -0.09 -0.23 1.03 -0.85 0.00 0.00 174.74 175.12 3gyr s ARG 441 N 0.81 1.53 -0.14 1.40 1.81 -0.36 -4.98 118.95 119.02 3gyr s ARG 441 Ca -0.07 -1.02 0.02 0.00 -1.72 0.00 0.00 55.73 52.93 3gyr s ARG 441 Cb -0.11 -1.68 0.01 0.00 -0.45 0.00 0.00 34.95 32.73 3gyr s ARG 441 CO -0.02 0.43 -0.19 -1.17 -0.68 0.00 0.00 175.30 173.67 3gyr s LEU 442 N -1.24 1.95 -0.31 2.53 2.96 -1.26 -0.63 118.68 122.68 3gyr s LEU 442 Ca 0.09 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3gyr s LEU 442 Cb -0.09 -1.32 0.09 0.00 0.50 0.00 0.00 46.19 45.36 3gyr s LEU 442 CO 0.02 0.03 0.03 -0.63 -1.32 0.00 0.00 176.35 174.48 3gyr s ILE 443 N 1.04 1.78 0.07 6.68 -1.09 -0.13 -2.18 121.20 127.38 3gyr s ILE 443 Ca -0.03 -1.84 -0.26 0.00 -2.23 0.00 0.00 60.65 56.28 3gyr s ILE 443 Cb -0.14 -2.23 -0.06 0.00 -1.58 0.00 0.00 42.46 38.44 3gyr s ILE 443 CO -0.05 -0.47 0.82 -0.69 -1.23 0.00 0.00 174.94 173.31 3gyr s VAL 444 N 1.19 4.64 -0.24 2.92 1.01 -0.28 -0.41 120.40 129.23 3gyr s VAL 444 Ca 0.06 1.76 -0.05 0.00 0.00 0.00 0.00 61.98 63.74 3gyr s VAL 444 Cb -0.19 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 3gyr s VAL 444 CO -0.12 0.36 0.00 -0.76 0.00 0.00 0.00 175.10 174.59 3gyr s LEU 445 N -0.12 3.17 0.18 3.92 1.02 0.67 -0.34 118.68 127.18 3gyr s LEU 445 Ca 0.41 -0.39 0.03 0.00 0.02 0.00 0.00 54.13 54.20 3gyr s LEU 445 Cb -0.21 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 3gyr s LEU 445 CO 0.25 -0.05 0.30 0.42 0.02 0.00 0.00 176.35 177.29 3gyr s THR 446 N 1.52 5.27 0.53 5.49 -4.23 -0.65 -0.71 115.64 122.87 3gyr s THR 446 Ca 0.05 -0.79 -0.16 0.00 -1.18 0.00 0.00 61.69 59.61 3gyr s THR 446 Cb -0.15 -3.76 -0.07 0.00 1.34 0.00 0.00 72.50 69.87 3gyr s THR 446 CO -0.01 -0.16 1.00 -2.16 -0.54 0.00 0.00 174.62 172.75 3gyr s PRO 447 N -3.44 3.82 0.30 3.99 0.04 -1.26 -3.58 135.00 134.87 3gyr s PRO 447 Ca 0.34 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.42 3gyr s PRO 447 Cb -0.10 -2.11 0.72 0.00 0.04 0.00 0.00 34.50 33.04 3gyr s PRO 447 CO 0.28 -0.38 1.79 -1.35 0.04 0.00 0.00 177.00 177.38 3gyr h PRO 448 N 0.75 0.77 -0.97 0.56 0.11 -1.84 -2.46 132.00 128.92 3gyr h PRO 448 Ca -0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3gyr h PRO 448 Cb 1.19 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3gyr h PRO 448 CO 0.61 0.51 0.01 0.41 -0.21 0.00 0.00 178.00 179.33 3gyr n GLY 449 N -1.34 1.73 3.75 -0.55 0.00 -1.26 -3.06 105.19 104.45 3gyr n GLY 449 Ca 0.23 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3gyr n GLY 449 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gyr s THR 450 N -1.00 3.77 -0.39 2.61 2.01 -0.93 -4.71 115.64 117.00 3gyr s THR 450 Ca 0.05 1.62 -0.44 0.00 0.31 0.00 0.00 61.69 63.22 3gyr s THR 450 Cb 0.04 -4.03 -0.18 0.00 0.01 0.00 0.00 72.50 68.33 3gyr s THR 450 CO 0.01 0.32 1.63 1.17 -0.69 0.00 0.00 174.62 177.06 3gyr n LYS 451 N 1.95 0.45 -0.72 4.92 3.00 0.68 -1.92 118.16 126.52 3gyr n LYS 451 Ca 0.01 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 3gyr n LYS 451 Cb 0.46 -1.74 0.00 0.00 0.00 0.00 0.00 35.03 33.75 3gyr n LYS 451 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gyr n GLY 452 N 3.95 0.59 0.45 3.14 0.00 -1.26 -4.84 105.19 107.22 3gyr n GLY 452 Ca 0.29 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.90 3gyr n GLY 452 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gyr n SER 453 N 0.83 2.19 -1.95 1.61 3.41 -0.81 -4.96 113.62 113.94 3gyr n SER 453 Ca 0.00 -1.64 -0.15 0.00 -0.26 0.00 0.00 58.87 56.82 3gyr n SER 453 Cb 0.00 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 3gyr n SER 453 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gyr n GLY 454 N 0.47 0.42 1.39 5.00 0.00 -1.26 -1.27 105.19 109.93 3gyr n GLY 454 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3gyr n GLY 454 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 455 N -0.59 0.63 3.69 -0.02 0.00 -1.23 -4.88 105.19 102.79 3gyr n GLY 455 Ca -0.16 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 3gyr n GLY 455 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gyr s HIS 456 N -2.00 3.21 0.76 1.61 3.76 -0.40 -4.64 115.29 117.59 3gyr s HIS 456 Ca 0.00 0.18 -0.15 0.00 -0.15 0.00 0.00 55.06 54.94 3gyr s HIS 456 Cb 0.00 -1.85 0.05 0.00 1.11 0.00 0.00 32.58 31.89 3gyr s HIS 456 CO 0.00 0.43 1.14 -0.35 -0.85 0.00 0.00 174.74 175.10 3gyr n PRO 457 N 2.37 0.42 -4.20 8.40 -0.04 -1.26 -4.58 135.00 136.10 3gyr n PRO 457 Ca -0.18 0.21 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 3gyr n PRO 457 Cb 0.54 -2.38 -0.10 0.00 -0.04 0.00 0.00 33.50 31.51 3gyr n PRO 457 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gyr s GLU 458 N -3.77 0.92 -0.16 0.54 2.02 -1.23 -4.75 118.70 112.26 3gyr s GLU 458 Ca 0.75 -1.38 -0.19 0.00 0.02 0.00 0.00 54.97 54.17 3gyr s GLU 458 Cb -0.32 -0.35 -0.04 0.00 0.10 0.00 0.00 34.13 33.53 3gyr s GLU 458 CO 0.49 0.01 0.51 0.42 0.02 0.00 0.00 175.26 176.72 3gyr s ILE 459 N -3.52 5.14 -0.25 -1.63 1.01 -1.26 -1.63 121.20 119.05 3gyr s ILE 459 Ca 0.14 0.98 -0.00 0.00 0.00 0.00 0.00 60.65 61.77 3gyr s ILE 459 Cb 0.04 -3.84 0.04 0.00 0.01 0.00 0.00 42.46 38.71 3gyr s ILE 459 CO -0.03 0.24 -0.08 0.26 0.00 0.00 0.00 174.94 175.33 3gyr s TRP 460 N 1.19 3.12 0.01 3.97 0.52 0.54 -4.00 118.94 124.30 3gyr s TRP 460 Ca 0.26 -1.84 -0.30 0.00 0.02 0.00 0.00 56.10 54.24 3gyr s TRP 460 Cb -0.15 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.12 3gyr s TRP 460 CO 0.10 -0.79 0.98 -1.21 0.02 0.00 0.00 176.95 176.05 3gyr s GLU 461 N 1.25 4.57 -0.12 4.98 2.02 -0.31 -1.13 118.70 129.96 3gyr s GLU 461 Ca -0.03 1.43 -0.01 0.00 0.02 0.00 0.00 54.97 56.38 3gyr s GLU 461 Cb -0.18 -3.45 -0.02 0.00 0.10 0.00 0.00 34.13 30.58 3gyr s GLU 461 CO -0.05 -0.02 -0.09 -1.64 0.02 0.00 0.00 175.26 173.47 3gyr s MET 462 N 0.90 3.24 -0.11 1.61 -1.94 -0.93 0.14 119.30 122.22 3gyr s MET 462 Ca 0.51 -0.61 -0.05 0.00 -1.71 0.00 0.00 55.69 53.83 3gyr s MET 462 Cb -0.21 -2.67 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 3gyr s MET 462 CO 0.28 0.36 0.08 0.00 -0.01 0.00 0.00 175.02 175.73 3gyr s ALA 463 N -0.00 3.63 0.40 3.03 0.00 0.38 -4.42 121.76 124.77 3gyr s ALA 463 Ca -0.02 -0.71 -0.24 0.00 0.00 0.00 0.00 51.96 50.99 3gyr s ALA 463 Cb -0.14 -1.78 -0.09 0.00 0.00 0.00 0.00 23.12 21.11 3gyr s ALA 463 CO 0.03 0.58 1.08 -2.00 0.00 0.00 0.00 175.76 175.46 3gyr s GLU 464 N -0.89 4.13 0.18 0.00 2.12 -1.26 0.19 118.70 123.17 3gyr s GLU 464 Ca 0.14 1.60 0.06 0.00 0.36 0.00 0.00 54.97 57.14 3gyr s GLU 464 Cb -0.12 -2.58 -0.05 0.00 0.26 0.00 0.00 34.13 31.64 3gyr s GLU 464 CO 0.03 -0.19 -0.13 0.54 -0.54 0.00 0.00 175.26 174.97 3gyr s VAL 465 N -1.58 1.52 -0.38 3.70 0.11 0.85 -4.86 120.40 119.75 3gyr s VAL 465 Ca 0.58 -2.15 0.11 0.00 -2.93 0.00 0.00 61.98 57.58 3gyr s VAL 465 Cb -0.25 -1.98 0.36 0.00 -1.53 0.00 0.00 36.38 32.98 3gyr s VAL 465 CO 0.31 -0.64 0.88 -1.84 -3.33 0.00 0.00 175.10 170.47 3gyr n GLU 466 N -0.32 1.02 -4.30 1.54 0.28 -1.26 -4.53 120.64 113.07 3gyr n GLU 466 Ca -0.09 -2.95 -0.34 0.00 -0.16 0.00 0.00 57.16 53.62 3gyr n GLU 466 Cb 0.61 -1.40 -0.14 0.00 1.43 0.00 0.00 31.44 31.93 3gyr n GLU 466 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3gyr s GLN 472 N -1.78 3.43 -0.02 3.44 1.11 -1.26 -5.17 119.66 119.40 3gyr s GLN 472 Ca 0.33 -0.63 -0.02 0.00 0.01 0.00 0.00 55.36 55.06 3gyr s GLN 472 Cb 0.35 -2.85 -0.04 0.00 -1.01 0.00 0.00 33.01 29.46 3gyr s GLN 472 CO -0.06 0.03 0.09 0.54 0.01 0.00 0.00 175.29 175.90 3gyr s VAL 473 N 0.88 4.88 0.70 1.09 0.11 -1.26 -3.60 120.40 123.20 3gyr s VAL 473 Ca -0.02 -0.29 -0.15 0.00 -2.93 0.00 0.00 61.98 58.59 3gyr s VAL 473 Cb -0.15 -3.21 0.02 0.00 -1.53 0.00 0.00 36.38 31.51 3gyr s VAL 473 CO 0.01 0.40 1.15 -2.84 -3.33 0.00 0.00 175.10 170.48 3gyr s PRO 474 N -1.61 2.47 -0.02 1.54 0.02 -1.26 -5.20 135.00 130.94 3gyr s PRO 474 Ca 0.22 1.53 -0.29 0.00 0.02 0.00 0.00 61.00 62.48 3gyr s PRO 474 Cb -0.12 -1.90 0.08 0.00 0.02 0.00 0.00 34.50 32.59 3gyr s PRO 474 CO 0.12 -1.53 0.74 0.00 -0.33 0.00 0.00 177.00 176.00 3gyr s ALA 475 N -2.23 -1.77 0.16 -1.55 0.00 -1.24 -5.09 121.76 110.04 3gyr s ALA 475 Ca 0.69 1.15 -0.33 0.00 0.00 0.00 0.00 51.96 53.47 3gyr s ALA 475 Cb -0.24 0.12 -0.12 0.00 0.00 0.00 0.00 23.12 22.88 3gyr s ALA 475 CO 0.44 -0.49 1.71 -1.91 0.00 0.00 0.00 175.76 175.51 3gyr n GLU 476 N 0.45 2.55 -0.72 0.00 2.13 -1.26 -2.12 120.64 121.67 3gyr n GLU 476 Ca -0.16 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3gyr n GLU 476 Cb 0.60 -2.75 0.00 0.00 0.27 0.00 0.00 31.44 29.55 3gyr n GLU 476 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gyr n GLY 477 N 3.87 0.77 3.33 8.31 0.00 0.11 -4.93 105.19 116.66 3gyr n GLY 477 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3gyr n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyr s VAL 478 N -2.86 3.35 -0.05 1.61 1.01 -0.90 0.16 120.40 122.71 3gyr s VAL 478 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3gyr s VAL 478 Cb 0.00 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 3gyr s VAL 478 CO 0.00 0.45 -0.18 -0.63 0.00 0.00 0.00 175.10 174.74 3gyr s ILE 479 N 1.18 1.49 0.03 2.22 1.01 0.26 -1.26 121.20 126.13 3gyr s ILE 479 Ca 0.02 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3gyr s ILE 479 Cb -0.14 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 3gyr s ILE 479 CO -0.01 0.43 -0.08 -1.10 0.00 0.00 0.00 174.94 174.18 3gyr s GLN 480 N 0.05 2.43 -0.10 2.79 -0.21 -1.26 -0.94 119.66 122.41 3gyr s GLN 480 Ca -0.04 -0.82 -0.01 0.00 0.02 0.00 0.00 55.36 54.51 3gyr s GLN 480 Cb -0.12 -2.44 0.03 0.00 1.00 0.00 0.00 33.01 31.48 3gyr s GLN 480 CO 0.02 0.57 -0.00 0.08 -2.12 0.00 0.00 175.29 173.84 3gyr s VAL 481 N -1.06 0.50 -0.40 1.09 1.01 -0.18 -0.48 120.40 120.87 3gyr s VAL 481 Ca 0.19 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 3gyr s VAL 481 Cb -0.11 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.58 3gyr s VAL 481 CO 0.10 0.19 0.69 -0.89 0.00 0.00 0.00 175.10 175.18 3gyr s THR 482 N 1.91 4.80 0.56 3.92 2.01 0.10 -1.15 115.64 127.79 3gyr s THR 482 Ca 0.04 0.44 -0.09 0.00 0.31 0.00 0.00 61.69 62.39 3gyr s THR 482 Cb -0.13 -4.19 0.13 0.00 0.01 0.00 0.00 72.50 68.32 3gyr s THR 482 CO -0.06 -0.51 0.66 0.61 -0.69 0.00 0.00 174.62 174.63 3gyr n GLY 483 N 4.84 -1.76 0.27 4.40 0.00 -0.64 -1.48 105.19 110.81 3gyr n GLY 483 Ca -0.00 -1.62 0.15 0.00 0.00 0.00 0.00 46.02 44.56 3gyr n GLY 483 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyr h ALA 484 N -2.06 1.04 0.00 4.61 0.00 -1.90 -2.14 119.26 118.81 3gyr h ALA 484 Ca -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gyr h ALA 484 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3gyr h ALA 484 CO 0.15 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.09 3gyr n ASP 485 N -3.24 0.34 0.00 0.00 5.68 -1.26 -4.92 116.55 113.15 3gyr n ASP 485 Ca -0.00 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.82 3gyr n ASP 485 Cb 0.31 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 3gyr n ASP 485 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gyr n GLY 486 N 1.29 2.44 3.89 6.12 0.00 -0.81 -5.08 105.19 113.05 3gyr n GLY 486 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3gyr n GLY 486 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gyr s ARG 487 N -0.96 3.44 -0.16 1.61 1.70 -1.26 -4.78 118.95 118.54 3gyr s ARG 487 Ca 0.00 0.39 -0.01 0.00 -0.47 0.00 0.00 55.73 55.64 3gyr s ARG 487 Cb 0.00 -2.23 -0.01 0.00 -0.57 0.00 0.00 34.95 32.14 3gyr s ARG 487 CO 0.00 -0.45 -0.11 0.99 -1.08 0.00 0.00 175.30 174.64 3gyr s THR 488 N -2.97 3.00 0.26 4.99 2.01 -1.26 -1.62 115.64 120.05 3gyr s THR 488 Ca 0.52 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 61.94 3gyr s THR 488 Cb -0.11 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 3gyr s THR 488 CO 0.49 0.49 0.15 -0.54 -0.69 0.00 0.00 174.62 174.53 3gyr s LYS 489 N 0.83 2.75 -0.13 4.92 1.02 -0.30 -4.93 119.74 123.90 3gyr s LYS 489 Ca -0.04 -1.17 0.01 0.00 0.02 0.00 0.00 55.97 54.79 3gyr s LYS 489 Cb -0.15 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.73 3gyr s LYS 489 CO 0.00 0.37 -0.13 0.99 -0.92 0.00 0.00 175.35 175.66 3gyr s THR 490 N -2.20 1.42 0.10 2.17 2.01 -1.26 -1.01 115.64 116.88 3gyr s THR 490 Ca 0.33 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 61.86 3gyr s THR 490 Cb -0.07 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 3gyr s THR 490 CO 0.24 0.43 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.08 3gyr s TYR 491 N 1.36 1.84 -0.09 4.92 1.51 -0.11 -0.10 117.35 126.67 3gyr s TYR 491 Ca 0.01 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 3gyr s TYR 491 Cb -0.13 -1.01 -0.01 0.00 -0.11 0.00 0.00 41.96 40.70 3gyr s TYR 491 CO -0.07 0.21 -0.22 0.50 -1.11 0.00 0.00 175.55 174.86 3gyr s ARG 492 N -1.89 2.96 0.06 -0.62 3.52 0.13 -0.57 118.95 122.54 3gyr s ARG 492 Ca 0.07 -0.84 -0.31 0.00 -0.13 0.00 0.00 55.73 54.52 3gyr s ARG 492 Cb -0.10 -2.33 -0.07 0.00 -1.56 0.00 0.00 34.95 30.89 3gyr s ARG 492 CO 0.04 0.26 1.46 0.50 -0.81 0.00 0.00 175.30 176.76 3gyr s ARG 493 N 0.16 4.27 -0.01 5.12 3.52 0.12 -0.47 118.95 131.66 3gyr s ARG 493 Ca -0.12 2.11 0.12 0.00 -0.13 0.00 0.00 55.73 57.70 3gyr s ARG 493 Cb -0.16 -3.44 -0.15 0.00 -1.56 0.00 0.00 34.95 29.63 3gyr s ARG 493 CO 0.07 -0.57 0.37 0.25 -0.81 0.00 0.00 175.30 174.61 3gyr n THR 494 N 4.39 0.00 -3.58 4.11 -2.24 0.12 -4.91 114.28 112.17 3gyr n THR 494 Ca 0.13 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 3gyr n THR 494 Cb 0.42 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 3gyr n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gyr s ALA 495 N -2.43 -1.38 0.00 6.98 0.00 -1.20 -4.87 121.76 118.85 3gyr s ALA 495 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3gyr s ALA 495 Cb 0.08 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.44 3gyr s ALA 495 CO 0.48 -0.44 0.00 2.89 0.00 0.00 0.00 175.76 178.69 3gyr n ARG 496 N 0.66 2.49 -3.88 0.00 1.85 -1.26 -1.17 116.66 115.36 3gyr n ARG 496 Ca -0.19 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.57 3gyr n ARG 496 Cb 0.59 -0.25 -0.06 0.00 -1.05 0.00 0.00 32.46 31.70 3gyr n ARG 496 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3gyr s THR 497 N -0.35 0.04 0.17 8.89 -1.32 -1.26 -4.20 115.64 117.61 3gyr s THR 497 Ca 0.00 -1.15 -0.20 0.00 -1.21 0.00 0.00 61.69 59.12 3gyr s THR 497 Cb 0.00 -1.78 0.10 0.00 -1.51 0.00 0.00 72.50 69.30 3gyr s THR 497 CO 0.00 -0.19 1.61 0.15 -2.21 0.00 0.00 174.62 173.98 3gyr h PHE 498 N 2.37 -0.68 -0.17 9.09 3.04 -1.38 -2.03 116.94 127.18 3gyr h PHE 498 Ca -0.30 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.71 3gyr h PHE 498 Cb 1.24 0.37 0.00 0.00 2.56 0.00 0.00 35.95 40.12 3gyr h PHE 498 CO 0.38 -0.33 0.00 0.09 -2.02 0.00 0.00 178.31 176.43 3gyr n ASN 499 N -5.41 1.08 -4.75 0.41 3.02 -1.26 -4.58 115.26 103.77 3gyr n ASN 499 Ca 0.02 -1.83 -0.35 0.00 -0.03 0.00 0.00 54.58 52.39 3gyr n ASN 499 Cb 0.32 -0.11 0.05 0.00 -0.61 0.00 0.00 39.78 39.43 3gyr n ASN 499 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3gyr s ASP 500 N -1.24 4.97 0.43 6.41 1.01 -0.77 -4.94 116.67 122.54 3gyr s ASP 500 Ca 0.21 2.33 -0.22 0.00 0.71 0.00 0.00 52.55 55.58 3gyr s ASP 500 Cb 0.11 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.32 3gyr s ASP 500 CO 0.16 -1.74 0.44 0.61 0.21 0.00 0.00 175.17 174.85 3gyr n GLY 501 N 0.35 -1.77 3.60 0.21 0.00 -1.26 -4.81 105.19 101.50 3gyr n GLY 501 Ca 0.13 0.01 -0.50 0.00 0.00 0.00 0.00 46.02 45.67 3gyr n GLY 501 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gyr n LEU 502 N 1.44 1.83 -0.13 0.99 7.94 -1.26 -4.90 117.00 122.91 3gyr n LEU 502 Ca 0.11 1.13 -0.26 0.00 -1.11 0.00 0.00 56.01 55.88 3gyr n LEU 502 Cb 0.41 -1.24 -0.09 0.00 0.53 0.00 0.00 43.42 43.03 3gyr n LEU 502 CO 0.54 -1.04 -1.32 0.61 -1.11 0.00 0.00 177.39 175.07 3gyr n GLY 503 N 2.37 -0.46 3.46 -3.96 0.00 -1.26 -4.98 105.19 100.36 3gyr n GLY 503 Ca 0.16 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3gyr n GLY 503 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gyr s PHE 504 N -2.57 3.19 -0.06 1.61 0.08 -1.26 -5.05 117.98 113.91 3gyr s PHE 504 Ca -0.37 -0.50 0.04 0.00 0.12 0.00 0.00 56.93 56.23 3gyr s PHE 504 Cb 0.13 -2.38 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 3gyr s PHE 504 CO 0.47 -0.44 -0.19 0.99 -0.10 0.00 0.00 175.22 175.96 3gyr s THR 505 N 1.63 2.59 -0.05 0.64 2.01 -1.26 -1.34 115.64 119.86 3gyr s THR 505 Ca 0.05 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 3gyr s THR 505 Cb -0.17 -1.99 0.04 0.00 0.01 0.00 0.00 72.50 70.38 3gyr s THR 505 CO 0.07 0.57 0.11 -0.63 -0.69 0.00 0.00 174.62 174.05 3gyr s ILE 506 N -0.33 -0.10 0.04 1.82 1.01 0.56 -4.97 121.20 119.22 3gyr s ILE 506 Ca 0.02 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 3gyr s ILE 506 Cb -0.13 -0.20 -0.07 0.00 0.01 0.00 0.00 42.46 42.07 3gyr s ILE 506 CO 0.02 0.11 1.58 -0.83 0.00 0.00 0.00 174.94 175.82 3gyr s GLY 507 N 1.49 1.64 0.27 6.18 0.00 -1.26 -1.66 107.32 113.98 3gyr s GLY 507 Ca -0.05 1.08 -0.30 0.00 0.00 0.00 0.00 44.72 45.46 3gyr s GLY 507 CO -0.05 2.80 1.29 -2.21 0.00 0.00 0.00 173.10 174.94 3gyr n GLU 508 N 5.71 1.90 0.00 2.90 0.00 0.71 -1.63 120.64 130.22 3gyr n GLU 508 Ca 0.15 0.67 0.00 0.00 0.00 0.00 0.00 57.16 57.98 3gyr n GLU 508 Cb 0.42 -2.25 0.00 0.00 0.00 0.00 0.00 31.44 29.61 3gyr n GLU 508 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gyr n GLY 509 N 1.58 2.08 3.92 8.31 0.00 0.39 -4.50 105.19 116.97 3gyr n GLY 509 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 3gyr n GLY 509 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gyr s THR 510 N -2.33 2.47 0.12 2.61 -4.23 -0.65 -4.74 115.64 108.89 3gyr s THR 510 Ca 0.00 -0.13 0.07 0.00 -1.18 0.00 0.00 61.69 60.45 3gyr s THR 510 Cb 0.00 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 3gyr s THR 510 CO 0.00 -0.10 -0.05 -1.00 -0.54 0.00 0.00 174.62 172.93 3gyr s HIS 511 N -3.29 2.83 -0.05 3.99 3.76 -1.26 -1.57 115.29 119.69 3gyr s HIS 511 Ca 0.60 -0.12 -0.07 0.00 -0.15 0.00 0.00 55.06 55.31 3gyr s HIS 511 Cb -0.11 -1.44 0.02 0.00 1.11 0.00 0.00 32.58 32.16 3gyr s HIS 511 CO 0.46 0.47 0.19 -1.21 -0.85 0.00 0.00 174.74 173.80 3gyr s GLU 512 N -2.45 0.32 -0.20 1.40 2.02 -0.52 -1.36 118.70 117.91 3gyr s GLU 512 Ca 0.24 0.08 -0.10 0.00 0.02 0.00 0.00 54.97 55.21 3gyr s GLU 512 Cb -0.11 0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.22 3gyr s GLU 512 CO 0.16 -0.06 0.13 -1.14 0.02 0.00 0.00 175.26 174.37 3gyr s GLN 513 N -0.35 4.17 -0.06 1.61 0.74 -0.07 -0.67 119.66 125.04 3gyr s GLN 513 Ca -0.04 -0.22 0.03 0.00 0.05 0.00 0.00 55.36 55.18 3gyr s GLN 513 Cb -0.03 -3.41 -0.02 0.00 1.10 0.00 0.00 33.01 30.64 3gyr s GLN 513 CO 0.01 0.31 -0.14 -1.58 -0.55 0.00 0.00 175.29 173.34 3gyr s TRP 514 N 0.33 2.72 -0.22 1.67 0.52 0.39 -1.23 118.94 123.13 3gyr s TRP 514 Ca 0.08 -0.21 -0.04 0.00 0.02 0.00 0.00 56.10 55.95 3gyr s TRP 514 Cb -0.11 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.54 3gyr s TRP 514 CO -0.02 0.14 -0.04 0.99 0.02 0.00 0.00 176.95 178.04 3gyr s THR 515 N -0.60 3.41 -0.32 2.01 2.01 0.19 -1.14 115.64 121.21 3gyr s THR 515 Ca 0.09 -0.48 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 3gyr s THR 515 Cb -0.11 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.84 3gyr s THR 515 CO 0.01 0.43 0.65 -0.36 -0.69 0.00 0.00 174.62 174.66 3gyr s PHE 516 N 1.40 3.19 -0.45 4.92 0.40 0.10 -0.95 117.98 126.59 3gyr s PHE 516 Ca 0.05 0.54 -0.06 0.00 -0.60 0.00 0.00 56.93 56.86 3gyr s PHE 516 Cb -0.14 -3.07 0.12 0.00 0.51 0.00 0.00 43.02 40.44 3gyr s PHE 516 CO -0.02 -0.53 0.29 -1.17 0.70 0.00 0.00 175.22 174.48 3gyr s LEU 517 N 2.69 5.49 -0.41 -0.37 2.96 0.45 -0.29 118.68 129.21 3gyr s LEU 517 Ca 0.26 -2.02 -0.22 0.00 -0.22 0.00 0.00 54.13 51.93 3gyr s LEU 517 Cb -0.15 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.64 3gyr s LEU 517 CO 0.13 -0.61 0.71 0.21 -1.32 0.00 0.00 176.35 175.47 3gyr s ASN 518 N 2.19 6.41 0.00 3.68 3.84 0.16 -0.24 114.94 130.98 3gyr s ASN 518 Ca 0.07 -0.04 0.25 0.00 0.21 0.00 0.00 52.86 53.35 3gyr s ASN 518 Cb -0.24 -2.35 1.03 0.00 -0.55 0.00 0.00 41.25 39.13 3gyr s ASN 518 CO -0.03 -0.77 1.72 0.18 -2.79 0.00 0.00 177.10 175.41 3gyr n LEU 519 N 6.39 1.30 -4.68 3.21 4.77 0.12 -1.04 117.00 127.06 3gyr n LEU 519 Ca 0.00 -0.49 -0.27 0.00 -0.03 0.00 0.00 56.01 55.23 3gyr n LEU 519 Cb 0.48 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 3gyr n LEU 519 CO 0.54 0.24 -0.24 -0.94 -1.33 0.00 0.00 177.39 175.67 3gyr s SER 520 N -1.80 4.09 0.00 -1.43 1.04 -1.26 -4.70 113.70 109.65 3gyr s SER 520 Ca 0.36 -1.30 0.15 0.00 0.48 0.00 0.00 55.95 55.64 3gyr s SER 520 Cb 0.19 -0.32 0.63 0.00 0.10 0.00 0.00 66.02 66.62 3gyr s SER 520 CO 0.30 -0.53 1.45 -0.81 0.98 0.00 0.00 173.24 174.63 3gyr n PRO 521 N -1.10 1.48 -2.99 4.02 -0.04 -1.26 -0.80 135.00 134.31 3gyr n PRO 521 Ca -0.05 -0.72 -0.40 0.00 -0.04 0.00 0.00 63.50 62.29 3gyr n PRO 521 Cb 0.66 -1.29 -0.04 0.00 -0.04 0.00 0.00 33.50 32.79 3gyr n PRO 521 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gyr s ILE 522 N -1.81 5.01 -0.20 0.52 1.01 -1.26 -4.20 121.20 120.27 3gyr s ILE 522 Ca 0.25 1.54 -0.24 0.00 0.00 0.00 0.00 60.65 62.20 3gyr s ILE 522 Cb 0.13 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 3gyr s ILE 522 CO 0.19 0.23 0.76 -0.22 0.00 0.00 0.00 174.94 175.90 3gyr s LEU 523 N 0.90 4.13 -0.20 2.97 0.20 -1.26 -4.08 118.68 121.34 3gyr s LEU 523 Ca 0.40 1.01 -0.03 0.00 0.69 0.00 0.00 54.13 56.20 3gyr s LEU 523 Cb -0.18 -3.10 -0.01 0.00 -0.43 0.00 0.00 46.19 42.46 3gyr s LEU 523 CO 0.19 -0.40 -0.06 -1.00 -0.29 0.00 0.00 176.35 174.80 3gyr s HIS 524 N 2.30 2.94 -0.63 5.38 3.76 -0.92 -4.93 115.29 123.19 3gyr s HIS 524 Ca 0.34 -0.81 -0.25 0.00 -0.15 0.00 0.00 55.06 54.18 3gyr s HIS 524 Cb -0.16 -2.05 0.05 0.00 1.11 0.00 0.00 32.58 31.53 3gyr s HIS 524 CO 0.10 -0.44 1.07 -1.25 -0.85 0.00 0.00 174.74 173.38 3gyr s PRO 525 N 1.17 3.26 0.25 8.40 0.04 -1.26 -1.15 135.00 145.72 3gyr s PRO 525 Ca 0.02 -0.35 -0.30 0.00 0.04 0.00 0.00 61.00 60.42 3gyr s PRO 525 Cb -0.14 -4.13 -0.09 0.00 0.04 0.00 0.00 34.50 30.17 3gyr s PRO 525 CO -0.01 -1.78 1.03 -1.64 0.04 0.00 0.00 177.00 174.64 3gyr s MET 526 N 4.58 4.74 -0.04 4.56 -1.94 -0.19 -1.04 119.30 129.96 3gyr s MET 526 Ca 0.31 1.66 0.01 0.00 -1.71 0.00 0.00 55.69 55.96 3gyr s MET 526 Cb -0.12 -3.24 0.02 0.00 2.01 0.00 0.00 34.83 33.51 3gyr s MET 526 CO 0.16 0.34 -0.04 -1.58 -0.01 0.00 0.00 175.02 173.89 3gyr s HIS 527 N -1.11 0.74 -0.19 -0.03 5.04 -0.71 -0.47 115.29 118.56 3gyr s HIS 527 Ca 0.43 -0.20 -0.03 0.00 -1.54 0.00 0.00 55.06 53.72 3gyr s HIS 527 Cb -0.29 -0.66 -0.01 0.00 0.04 0.00 0.00 32.58 31.66 3gyr s HIS 527 CO 0.37 -0.19 -0.08 0.42 -2.34 0.00 0.00 174.74 172.92 3gyr s ILE 528 N 0.92 3.22 1.10 0.89 1.01 -1.03 -1.79 121.20 125.52 3gyr s ILE 528 Ca -0.11 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 3gyr s ILE 528 Cb -0.14 -2.43 0.25 0.00 0.01 0.00 0.00 42.46 40.15 3gyr s ILE 528 CO 0.00 0.46 1.06 -1.00 0.00 0.00 0.00 174.94 175.46 3gyr s HIS 529 N 1.14 1.41 0.00 3.97 3.76 -0.52 -4.30 115.29 120.76 3gyr s HIS 529 Ca 0.01 1.35 0.00 0.00 -0.15 0.00 0.00 55.06 56.27 3gyr s HIS 529 Cb -0.14 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.39 3gyr s HIS 529 CO -0.02 -3.62 0.00 -0.11 -0.85 0.00 0.00 174.74 170.14 3gyr n LEU 530 N -4.76 0.00 -4.98 0.89 7.94 -1.26 -4.92 117.00 109.91 3gyr n LEU 530 Ca 0.05 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.75 3gyr n LEU 530 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 3gyr n LEU 530 CO 0.55 0.00 0.13 0.00 -1.11 0.00 0.00 177.39 176.96 3gyr s ALA 531 N 0.00 4.10 -0.02 1.96 0.00 -1.26 -4.29 121.76 122.25 3gyr s ALA 531 Ca 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 3gyr s ALA 531 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 3gyr s ALA 531 CO 0.00 -0.14 0.14 -0.51 0.00 0.00 0.00 175.76 175.25 3gyr s ASP 532 N -4.19 6.11 0.06 0.00 1.01 -1.26 -4.76 116.67 113.64 3gyr s ASP 532 Ca 0.46 0.29 0.02 0.00 0.71 0.00 0.00 52.55 54.03 3gyr s ASP 532 Cb -0.10 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 41.94 3gyr s ASP 532 CO 0.33 0.28 -0.08 -0.36 0.21 0.00 0.00 175.17 175.56 3gyr s PHE 533 N -1.24 0.78 0.08 4.23 0.40 -0.43 -3.93 117.98 117.88 3gyr s PHE 533 Ca 0.24 -0.63 0.09 0.00 -0.60 0.00 0.00 56.93 56.03 3gyr s PHE 533 Cb -0.12 -0.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 3gyr s PHE 533 CO 0.15 -0.09 -0.22 -0.65 0.70 0.00 0.00 175.22 175.10 3gyr s GLN 534 N -2.32 1.76 -0.21 0.44 -0.21 -0.26 -1.07 119.66 117.80 3gyr s GLN 534 Ca -0.02 -1.16 -0.29 0.00 0.02 0.00 0.00 55.36 53.91 3gyr s GLN 534 Cb -0.05 -2.04 -0.00 0.00 1.00 0.00 0.00 33.01 31.91 3gyr s GLN 534 CO -0.01 0.49 1.18 0.08 -2.12 0.00 0.00 175.29 174.91 3gyr s VAL 535 N -0.99 4.42 -0.05 1.09 1.01 -1.26 -1.05 120.40 123.57 3gyr s VAL 535 Ca 0.15 1.70 -0.02 0.00 0.00 0.00 0.00 61.98 63.80 3gyr s VAL 535 Cb -0.10 -4.14 -0.27 0.00 0.00 0.00 0.00 36.38 31.87 3gyr s VAL 535 CO 0.06 -0.19 0.66 -0.07 0.00 0.00 0.00 175.10 175.55 3gyr h LEU 536 N 9.74 0.36 0.00 3.92 3.38 -0.81 -3.48 115.31 128.42 3gyr h LEU 536 Ca -0.24 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.11 3gyr h LEU 536 Cb 1.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3gyr h LEU 536 CO 0.98 1.54 0.00 0.61 0.09 0.00 0.00 178.44 181.66 3gyr n GLY 537 N 1.77 -0.11 2.96 0.83 0.00 -1.13 -4.99 105.19 104.52 3gyr n GLY 537 Ca -0.22 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 3gyr n GLY 537 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyr s ARG 538 N -2.00 0.28 -0.01 1.61 0.52 -1.26 -1.23 118.95 116.85 3gyr s ARG 538 Ca 0.00 -0.42 -0.02 0.00 -0.52 0.00 0.00 55.73 54.77 3gyr s ARG 538 Cb 0.00 -0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.41 3gyr s ARG 538 CO 0.00 0.00 0.05 -0.51 0.02 0.00 0.00 175.30 174.86 3gyr s ASP 539 N -0.91 -0.01 0.30 0.23 1.11 -0.82 -4.25 116.67 112.32 3gyr s ASP 539 Ca -0.08 0.00 -0.16 0.00 0.18 0.00 0.00 52.55 52.49 3gyr s ASP 539 Cb -0.06 0.11 -0.09 0.00 1.07 0.00 0.00 42.92 43.95 3gyr s ASP 539 CO -0.00 -0.08 0.73 0.00 1.18 0.00 0.00 175.17 177.00 3gyr s ALA 540 N -0.26 3.34 0.05 5.23 0.00 -1.26 -0.92 121.76 127.95 3gyr s ALA 540 Ca -0.03 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.04 3gyr s ALA 540 Cb -0.02 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 3gyr s ALA 540 CO 0.00 0.33 -0.15 0.71 0.00 0.00 0.00 175.76 176.66 3gyr s TYR 541 N -1.90 1.28 -0.38 0.00 2.02 -1.17 -1.23 117.35 115.97 3gyr s TYR 541 Ca 0.52 -0.39 -0.25 0.00 -0.37 0.00 0.00 57.07 56.58 3gyr s TYR 541 Cb -0.11 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.72 3gyr s TYR 541 CO 0.18 0.05 0.87 0.34 -1.57 0.00 0.00 175.55 175.42 3gyr s ASP 542 N -1.35 6.60 0.00 2.29 2.15 0.17 -4.60 116.67 121.93 3gyr s ASP 542 Ca 0.01 0.42 0.18 0.00 0.43 0.00 0.00 52.55 53.59 3gyr s ASP 542 Cb -0.09 -2.44 0.33 0.00 -0.30 0.00 0.00 42.92 40.43 3gyr s ASP 542 CO 0.02 -0.83 1.26 0.00 -0.17 0.00 0.00 175.17 175.44 3gyr n ALA 543 N 6.69 2.37 0.29 3.66 0.00 -1.26 -1.83 120.51 130.42 3gyr n ALA 543 Ca 0.05 -0.96 0.18 0.00 0.00 0.00 0.00 53.44 52.71 3gyr n ALA 543 Cb 0.48 -0.66 0.98 0.00 0.00 0.00 0.00 19.45 20.25 3gyr n ALA 543 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gyr h SER 544 N 3.42 0.00 0.54 0.00 4.64 -1.92 -0.09 113.55 120.13 3gyr h SER 544 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gyr h SER 544 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3gyr h SER 544 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3gyr n GLY 545 N -1.25 -1.05 3.64 -0.77 0.00 -1.26 -4.61 105.19 99.89 3gyr n GLY 545 Ca -0.02 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3gyr n GLY 545 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gyr s PHE 546 N -3.06 3.00 -0.33 1.61 2.19 -0.05 0.11 117.98 121.45 3gyr s PHE 546 Ca 0.06 1.11 -0.12 0.00 0.33 0.00 0.00 56.93 58.32 3gyr s PHE 546 Cb 0.09 -3.68 -0.02 0.00 -1.31 0.00 0.00 43.02 38.11 3gyr s PHE 546 CO 0.29 -1.12 0.21 0.34 1.83 0.00 0.00 175.22 176.77 3gyr s ASP 547 N 1.95 5.90 0.34 6.13 -1.08 0.84 -4.93 116.67 125.83 3gyr s ASP 547 Ca 0.49 -0.44 0.05 0.00 -0.52 0.00 0.00 52.55 52.13 3gyr s ASP 547 Cb -0.15 -2.10 0.61 0.00 -1.46 0.00 0.00 42.92 39.82 3gyr s ASP 547 CO 0.16 -0.22 1.86 -0.07 0.52 0.00 0.00 175.17 177.42 3gyr h LEU 548 N 8.44 0.43 -0.07 -1.34 4.07 -1.90 0.34 115.31 125.28 3gyr h LEU 548 Ca -0.32 -0.09 -0.17 0.00 0.08 0.00 0.00 57.88 57.38 3gyr h LEU 548 Cb 1.15 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.76 3gyr h LEU 548 CO 0.63 0.55 -0.82 0.00 -1.08 0.00 0.00 178.44 177.72 3gyr h ALA 549 N 1.50 0.50 0.09 1.53 0.00 -1.93 0.20 119.26 121.16 3gyr h ALA 549 Ca 0.09 -0.74 -0.26 0.00 0.00 0.00 0.00 54.91 53.99 3gyr h ALA 549 Cb 0.39 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3gyr h ALA 549 CO 0.02 1.02 -1.15 1.25 0.00 0.00 0.00 179.25 180.39 3gyr h LEU 550 N 0.00 0.52 1.07 0.00 5.85 -1.85 -3.44 115.31 117.47 3gyr h LEU 550 Ca -0.01 -0.50 -0.24 0.00 0.84 0.00 0.00 57.88 57.97 3gyr h LEU 550 Cb 1.59 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.47 3gyr h LEU 550 CO 0.11 1.35 -0.33 0.61 -0.34 0.00 0.00 178.44 179.84 3gyr n GLY 551 N 1.32 -0.07 3.70 3.75 0.00 0.11 -4.03 105.19 109.98 3gyr n GLY 551 Ca -0.09 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 3gyr n GLY 551 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gyr s GLY 552 N -2.63 0.68 -0.07 -0.02 0.00 -1.11 0.08 107.32 104.24 3gyr s GLY 552 Ca 0.08 -0.95 -0.15 0.00 0.00 0.00 0.00 44.72 43.70 3gyr s GLY 552 CO 0.10 -0.52 0.39 -1.08 0.00 0.00 0.00 173.10 172.00 3gyr s THR 553 N -2.76 5.15 -0.22 0.90 -1.32 -0.39 -0.11 115.64 116.88 3gyr s THR 553 Ca 0.20 0.79 -0.13 0.00 -1.21 0.00 0.00 61.69 61.34 3gyr s THR 553 Cb -0.04 -3.71 -0.18 0.00 -1.51 0.00 0.00 72.50 67.06 3gyr s THR 553 CO 0.14 0.47 -0.01 0.54 -2.21 0.00 0.00 174.62 173.54 3gyr n ARG 554 N 2.72 0.62 -4.30 7.08 1.74 0.30 -4.61 116.66 120.22 3gyr n ARG 554 Ca -0.12 0.35 -0.26 0.00 -0.77 0.00 0.00 57.85 57.06 3gyr n ARG 554 Cb 0.52 -1.62 -0.09 0.00 -1.02 0.00 0.00 32.46 30.25 3gyr n ARG 554 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3gyr s THR 555 N -2.47 3.22 0.72 0.55 -4.23 -1.22 -4.92 115.64 107.29 3gyr s THR 555 Ca -0.32 -1.77 -0.16 0.00 -1.18 0.00 0.00 61.69 58.27 3gyr s THR 555 Cb 0.09 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 71.33 3gyr s THR 555 CO 0.60 -0.19 1.23 -2.84 -0.54 0.00 0.00 174.62 172.87 3gyr s PRO 556 N -3.08 2.18 0.12 3.99 0.02 -1.26 -4.21 135.00 132.75 3gyr s PRO 556 Ca 0.27 1.83 -0.31 0.00 0.02 0.00 0.00 61.00 62.81 3gyr s PRO 556 Cb -0.08 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.53 3gyr s PRO 556 CO 0.16 -1.82 1.35 0.08 -0.33 0.00 0.00 177.00 176.44 3gyr s VAL 557 N -1.86 3.41 -0.13 3.83 1.01 0.36 -4.50 120.40 122.52 3gyr s VAL 557 Ca 0.76 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.80 3gyr s VAL 557 Cb -0.31 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.42 3gyr s VAL 557 CO 0.44 0.09 -0.22 -0.60 0.00 0.00 0.00 175.10 174.81 3gyr s ARG 558 N 0.96 3.04 0.05 2.72 3.52 -0.76 0.02 118.95 128.50 3gyr s ARG 558 Ca 0.63 -0.85 -0.31 0.00 -0.13 0.00 0.00 55.73 55.06 3gyr s ARG 558 Cb -0.36 -2.42 -0.10 0.00 -1.56 0.00 0.00 34.95 30.51 3gyr s ARG 558 CO 0.31 0.03 1.90 -0.11 -0.81 0.00 0.00 175.30 176.62 3gyr n LEU 559 N 3.95 3.99 -4.42 -0.88 0.00 -0.55 -0.66 117.00 118.43 3gyr n LEU 559 Ca -0.20 0.95 -0.44 0.00 0.00 0.00 0.00 56.01 56.32 3gyr n LEU 559 Cb 0.52 -1.51 -0.04 0.00 0.00 0.00 0.00 43.42 42.39 3gyr n LEU 559 CO 0.27 0.14 0.67 -0.62 0.00 0.00 0.00 177.39 177.86 3gyr s ASP 560 N 3.67 6.33 0.00 1.96 2.15 -0.36 -4.87 116.67 125.55 3gyr s ASP 560 Ca 0.87 -1.53 0.23 0.00 0.43 0.00 0.00 52.55 52.55 3gyr s ASP 560 Cb -0.50 -2.36 1.15 0.00 -0.30 0.00 0.00 42.92 40.92 3gyr s ASP 560 CO 0.42 -1.18 1.75 -0.81 -0.17 0.00 0.00 175.17 175.18 3gyr n PRO 561 N 6.69 0.31 -1.35 4.34 -0.04 -1.26 -2.03 135.00 141.67 3gyr n PRO 561 Ca 0.03 0.07 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 3gyr n PRO 561 Cb 0.45 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.52 3gyr n PRO 561 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3gyr n ASP 562 N -1.30 2.11 -4.02 3.54 5.68 -1.26 -4.70 116.55 116.60 3gyr n ASP 562 Ca 0.11 -3.17 -0.33 0.00 -0.50 0.00 0.00 54.79 50.89 3gyr n ASP 562 Cb 0.19 -0.43 -0.09 0.00 -1.14 0.00 0.00 41.12 39.65 3gyr n ASP 562 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3gyr s THR 563 N -2.71 3.65 0.56 2.12 2.01 -0.86 -5.10 115.64 115.31 3gyr s THR 563 Ca 0.38 -3.87 -0.19 0.00 0.31 0.00 0.00 61.69 58.33 3gyr s THR 563 Cb 0.38 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 3gyr s THR 563 CO -0.07 -1.01 1.13 -2.84 -0.69 0.00 0.00 174.62 171.13 3gyr s PRO 564 N -1.16 3.25 -0.30 4.92 0.02 -1.26 -4.00 135.00 136.47 3gyr s PRO 564 Ca 0.25 1.58 0.02 0.00 0.02 0.00 0.00 61.00 62.86 3gyr s PRO 564 Cb -0.09 -1.99 0.09 0.00 0.02 0.00 0.00 34.50 32.52 3gyr s PRO 564 CO -0.12 -0.92 0.01 0.08 -0.33 0.00 0.00 177.00 175.72 3gyr s VAL 565 N -1.87 1.81 0.49 3.83 1.01 -1.26 -4.93 120.40 119.49 3gyr s VAL 565 Ca 0.72 -1.80 -0.20 0.00 0.00 0.00 0.00 61.98 60.70 3gyr s VAL 565 Cb -0.23 -2.22 -0.08 0.00 0.00 0.00 0.00 36.38 33.84 3gyr s VAL 565 CO 0.30 -0.42 1.05 -2.16 0.00 0.00 0.00 175.10 173.86 3gyr s PRO 566 N 1.18 3.75 0.44 2.72 0.04 -1.26 -4.38 135.00 137.50 3gyr s PRO 566 Ca 0.04 1.37 -0.23 0.00 0.04 0.00 0.00 61.00 62.22 3gyr s PRO 566 Cb -0.19 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 3gyr s PRO 566 CO -0.11 -0.48 1.14 -0.51 0.04 0.00 0.00 177.00 177.09 3gyr s LEU 567 N -3.56 4.05 0.34 -3.56 1.43 -1.26 -4.98 118.68 111.15 3gyr s LEU 567 Ca 0.67 2.24 -0.29 0.00 -1.03 0.00 0.00 54.13 55.73 3gyr s LEU 567 Cb -0.17 -4.22 -0.11 0.00 0.03 0.00 0.00 46.19 41.73 3gyr s LEU 567 CO 0.21 -0.80 1.49 0.00 0.23 0.00 0.00 176.35 177.48 3gyr s ALA 568 N -1.57 3.61 0.58 4.21 0.00 -1.26 -4.89 121.76 122.44 3gyr s ALA 568 Ca 0.62 1.51 0.28 0.00 0.00 0.00 0.00 51.96 54.37 3gyr s ALA 568 Cb -0.27 -3.60 1.56 0.00 0.00 0.00 0.00 23.12 20.81 3gyr s ALA 568 CO 0.33 -0.96 2.02 -1.35 0.00 0.00 0.00 175.76 175.80 3gyr h PRO 569 N 3.69 0.00 -0.65 0.00 0.11 -1.94 -2.02 132.00 131.19 3gyr h PRO 569 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gyr h PRO 569 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3gyr h PRO 569 CO 0.69 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.75 3gyr n ASN 570 N -3.84 4.71 -0.40 -2.05 6.94 -1.26 -4.21 115.26 115.15 3gyr n ASN 570 Ca 0.05 -2.67 0.08 0.00 -0.02 0.00 0.00 54.58 52.02 3gyr n ASN 570 Cb 0.47 -0.62 0.18 0.00 -2.36 0.00 0.00 39.78 37.45 3gyr n ASN 570 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 3gyr n GLU 571 N 0.62 1.65 -0.35 -3.83 0.28 -0.76 -4.59 120.64 113.67 3gyr n GLU 571 Ca 0.23 -2.82 0.10 0.00 -0.16 0.00 0.00 57.16 54.50 3gyr n GLU 571 Cb 0.97 -1.61 0.29 0.00 1.43 0.00 0.00 31.44 32.52 3gyr n GLU 571 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3gyr n LEU 572 N -1.20 3.55 0.00 -1.84 4.77 -1.26 -4.33 117.00 116.68 3gyr n LEU 572 Ca 0.19 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.39 3gyr n LEU 572 Cb 0.72 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3gyr n LEU 572 CO 0.04 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3gyr n GLY 573 N 1.49 3.16 3.71 -0.72 0.00 -1.26 -4.78 105.19 106.79 3gyr n GLY 573 Ca 0.22 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 3gyr n GLY 573 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gyr s HIS 574 N 3.59 3.53 0.04 1.61 3.76 -1.26 -4.59 115.29 121.97 3gyr s HIS 574 Ca 0.00 1.09 0.01 0.00 -0.15 0.00 0.00 55.06 56.01 3gyr s HIS 574 Cb 0.00 -2.72 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 3gyr s HIS 574 CO 0.00 0.09 -0.06 0.15 -0.85 0.00 0.00 174.74 174.07 3gyr s LYS 575 N 0.86 0.47 0.00 1.40 -0.14 -0.23 -1.55 119.74 120.56 3gyr s LYS 575 Ca 0.32 -0.76 0.00 0.00 -1.36 0.00 0.00 55.97 54.17 3gyr s LYS 575 Cb -0.17 -0.11 0.00 0.00 -1.68 0.00 0.00 37.83 35.87 3gyr s LYS 575 CO 0.14 0.00 0.11 -0.40 -0.76 0.00 0.00 175.35 174.44 3gyr n ASP 576 N 1.35 0.21 -4.03 2.83 5.68 -1.26 -1.31 116.55 120.02 3gyr n ASP 576 Ca -0.22 -0.70 -0.25 0.00 -0.50 0.00 0.00 54.79 53.12 3gyr n ASP 576 Cb 0.55 0.12 -0.17 0.00 -1.14 0.00 0.00 41.12 40.49 3gyr n ASP 576 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3gyr s VAL 577 N -0.12 1.17 -0.08 2.12 1.01 -1.26 -2.48 120.40 120.76 3gyr s VAL 577 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3gyr s VAL 577 Cb 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.34 3gyr s VAL 577 CO 0.00 0.36 -0.05 -0.36 0.00 0.00 0.00 175.10 175.05 3gyr s PHE 578 N 0.67 1.07 0.15 5.22 0.08 0.38 -4.90 117.98 120.65 3gyr s PHE 578 Ca -0.14 -0.42 -0.31 0.00 0.12 0.00 0.00 56.93 56.17 3gyr s PHE 578 Cb -0.16 -0.95 -0.10 0.00 -0.57 0.00 0.00 43.02 41.25 3gyr s PHE 578 CO 0.04 -0.35 1.57 -0.65 -0.10 0.00 0.00 175.22 175.73 3gyr s GLN 579 N 1.42 4.22 -0.56 0.44 -0.21 -1.26 -1.02 119.66 122.69 3gyr s GLN 579 Ca -0.02 2.34 0.04 0.00 0.02 0.00 0.00 55.36 57.74 3gyr s GLN 579 Cb -0.13 -3.21 0.14 0.00 1.00 0.00 0.00 33.01 30.80 3gyr s GLN 579 CO -0.04 -0.61 0.32 0.08 -2.12 0.00 0.00 175.29 172.92 3gyr s VAL 580 N 1.32 2.58 1.12 1.09 1.01 -0.30 -4.91 120.40 122.31 3gyr s VAL 580 Ca 0.70 -3.51 -0.13 0.00 0.00 0.00 0.00 61.98 59.04 3gyr s VAL 580 Cb -0.43 -2.77 0.26 0.00 0.00 0.00 0.00 36.38 33.45 3gyr s VAL 580 CO 0.31 -0.86 1.05 -2.84 0.00 0.00 0.00 175.10 172.76 3gyr s PRO 581 N -0.54 -0.56 0.00 2.72 0.02 -1.26 -2.17 135.00 133.21 3gyr s PRO 581 Ca 0.19 0.70 0.00 0.00 0.02 0.00 0.00 61.00 61.91 3gyr s PRO 581 Cb -0.20 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.71 3gyr s PRO 581 CO -0.04 -3.45 0.00 0.41 -0.33 0.00 0.00 177.00 173.59 3gyr n GLY 582 N 0.17 0.00 3.43 0.52 0.00 -1.25 -4.05 105.19 104.01 3gyr n GLY 582 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 3gyr n GLY 582 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gyr n PRO 583 N 0.00 0.15 -3.52 1.61 -0.04 0.02 -4.58 135.00 128.65 3gyr n PRO 583 Ca 0.00 -0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 62.94 3gyr n PRO 583 Cb 0.00 -2.01 -0.04 0.00 -0.04 0.00 0.00 33.50 31.41 3gyr n PRO 583 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3gyr s GLN 584 N 7.30 0.85 -0.01 0.54 0.74 -0.20 -3.06 119.66 125.81 3gyr s GLN 584 Ca 0.93 -0.03 0.05 0.00 0.05 0.00 0.00 55.36 56.35 3gyr s GLN 584 Cb -0.42 0.40 -0.03 0.00 1.10 0.00 0.00 33.01 34.05 3gyr s GLN 584 CO 0.30 -0.31 -0.16 0.20 -0.55 0.00 0.00 175.29 174.77 3gyr s GLY 585 N -1.72 1.55 -0.08 2.59 0.00 -0.10 0.36 107.32 109.91 3gyr s GLY 585 Ca -0.02 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.67 3gyr s GLY 585 CO -0.01 -0.90 -0.16 -2.27 0.00 0.00 0.00 173.10 169.76 3gyr s LEU 586 N -1.03 1.79 -0.24 0.66 2.96 0.61 -1.95 118.68 121.47 3gyr s LEU 586 Ca 0.13 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 3gyr s LEU 586 Cb -0.11 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 3gyr s LEU 586 CO 0.03 0.07 0.05 -0.13 -1.32 0.00 0.00 176.35 175.05 3gyr s ARG 587 N 0.58 3.62 0.15 1.98 0.52 -0.37 -0.72 118.95 124.72 3gyr s ARG 587 Ca -0.15 -0.50 0.09 0.00 -0.52 0.00 0.00 55.73 54.65 3gyr s ARG 587 Cb -0.16 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 3gyr s ARG 587 CO 0.05 -0.19 -0.20 0.14 0.02 0.00 0.00 175.30 175.13 3gyr s VAL 588 N 1.59 1.85 0.03 3.52 -7.23 -0.29 -0.05 120.40 119.82 3gyr s VAL 588 Ca 0.06 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 3gyr s VAL 588 Cb -0.15 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 3gyr s VAL 588 CO 0.03 -0.22 -0.11 -0.32 -0.31 0.00 0.00 175.10 174.17 3gyr s MET 589 N -2.54 0.77 0.10 4.82 1.75 -0.22 -0.46 119.30 123.54 3gyr s MET 589 Ca 0.14 -0.61 -0.23 0.00 -1.25 0.00 0.00 55.69 53.73 3gyr s MET 589 Cb -0.07 -0.73 0.06 0.00 2.84 0.00 0.00 34.83 36.93 3gyr s MET 589 CO 0.06 0.18 0.57 0.20 -0.65 0.00 0.00 175.02 175.39 3gyr s GLY 590 N -0.92 -0.54 -0.16 2.11 0.00 0.15 -1.10 107.32 106.87 3gyr s GLY 590 Ca -0.00 0.57 -0.07 0.00 0.00 0.00 0.00 44.72 45.22 3gyr s GLY 590 CO 0.01 0.25 0.08 1.25 0.00 0.00 0.00 173.10 174.69 3gyr s LYS 591 N -3.14 3.79 -0.49 2.90 2.20 -1.25 -1.44 119.74 122.31 3gyr s LYS 591 Ca -0.02 -0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.20 3gyr s LYS 591 Cb -0.00 -3.20 0.12 0.00 -1.51 0.00 0.00 37.83 33.24 3gyr s LYS 591 CO -0.07 0.44 0.38 -0.06 -0.36 0.00 0.00 175.35 175.68 3gyr s PHE 592 N -0.08 3.38 -0.09 4.03 0.08 -0.61 -4.43 117.98 120.26 3gyr s PHE 592 Ca 0.08 -1.71 -0.04 0.00 0.12 0.00 0.00 56.93 55.38 3gyr s PHE 592 Cb -0.12 -3.56 0.05 0.00 -0.57 0.00 0.00 43.02 38.82 3gyr s PHE 592 CO 0.01 -1.00 0.18 0.34 -0.10 0.00 0.00 175.22 174.65 3gyr s ASP 593 N 2.89 0.41 0.00 1.36 2.15 -1.26 0.15 116.67 122.38 3gyr s ASP 593 Ca 0.05 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.42 3gyr s ASP 593 Cb -0.27 0.34 0.00 0.00 -0.30 0.00 0.00 42.92 42.69 3gyr s ASP 593 CO 0.00 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 3gyr n GLY 594 N 5.01 0.76 3.83 2.66 0.00 -1.26 -4.95 105.19 111.23 3gyr n GLY 594 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 3gyr n GLY 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyr s ALA 595 N -2.22 -1.24 0.18 4.61 0.00 -1.26 -4.77 121.76 117.06 3gyr s ALA 595 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.66 3gyr s ALA 595 Cb 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 3gyr s ALA 595 CO 0.00 -1.03 0.02 0.71 0.00 0.00 0.00 175.76 175.45 3gyr s TYR 596 N -3.28 1.21 -2.73 0.00 2.02 -1.26 -4.84 117.35 108.47 3gyr s TYR 596 Ca 0.13 -1.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.78 3gyr s TYR 596 Cb -0.04 -0.69 0.00 0.00 -0.40 0.00 0.00 41.96 40.83 3gyr s TYR 596 CO 0.07 -0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.21 3gyr n GLY 597 N -0.25 0.67 3.71 0.71 0.00 0.38 -0.93 105.19 109.48 3gyr n GLY 597 Ca -0.06 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 3gyr n GLY 597 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gyr s ARG 598 N -1.08 4.39 0.45 1.61 3.52 -1.26 -1.25 118.95 125.32 3gyr s ARG 598 Ca 0.00 0.79 0.03 0.00 -0.13 0.00 0.00 55.73 56.41 3gyr s ARG 598 Cb 0.00 -3.47 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3gyr s ARG 598 CO 0.00 0.02 0.10 1.19 -0.81 0.00 0.00 175.30 175.79 3gyr n PHE 599 N 4.00 0.50 -4.63 5.12 3.72 0.18 -4.54 117.46 121.82 3gyr n PHE 599 Ca -0.02 -2.60 -0.30 0.00 -0.05 0.00 0.00 57.45 54.49 3gyr n PHE 599 Cb 0.51 -0.12 -0.14 0.00 -0.94 0.00 0.00 39.48 38.79 3gyr n PHE 599 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 3gyr s MET 600 N -3.66 1.61 0.02 -1.08 1.75 -1.26 -0.95 119.30 115.73 3gyr s MET 600 Ca 0.14 -1.23 0.02 0.00 -1.25 0.00 0.00 55.69 53.37 3gyr s MET 600 Cb 0.01 -1.95 -0.02 0.00 2.84 0.00 0.00 34.83 35.71 3gyr s MET 600 CO 0.10 0.48 -0.07 1.52 -0.65 0.00 0.00 175.02 176.40 3gyr s TYR 601 N -0.94 0.63 0.07 4.11 -0.85 -0.08 -1.43 117.35 118.85 3gyr s TYR 601 Ca 0.13 -0.32 -0.27 0.00 -0.52 0.00 0.00 57.07 56.09 3gyr s TYR 601 Cb -0.10 -0.38 0.09 0.00 0.38 0.00 0.00 41.96 41.94 3gyr s TYR 601 CO 0.04 -0.04 0.97 -3.38 -1.52 0.00 0.00 175.55 171.62 3gyr s HIS 602 N -0.81 -0.20 0.36 -3.49 -3.43 -0.74 0.08 115.29 107.05 3gyr s HIS 602 Ca -0.04 -0.02 -0.28 0.00 -0.80 0.00 0.00 55.06 53.93 3gyr s HIS 602 Cb -0.06 0.59 -0.10 0.00 -1.43 0.00 0.00 32.58 31.58 3gyr s HIS 602 CO 0.00 -0.66 1.27 0.00 -2.00 0.00 0.00 174.74 173.36 3gyr n HIS 604 N 0.56 1.82 -2.54 0.00 -0.00 -0.21 -4.25 115.22 110.60 3gyr n HIS 604 Ca 0.01 -0.69 -0.42 0.00 0.46 0.00 0.00 57.72 57.08 3gyr n HIS 604 Cb 0.43 -0.41 -0.02 0.00 -0.12 0.00 0.00 29.99 29.87 3gyr n HIS 604 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3gyr s LEU 605 N -2.44 3.49 0.30 0.27 1.43 -1.26 -4.73 118.68 115.74 3gyr s LEU 605 Ca 0.53 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.94 3gyr s LEU 605 Cb 0.38 -3.26 0.70 0.00 0.03 0.00 0.00 46.19 44.04 3gyr s LEU 605 CO 0.19 -1.47 1.79 -0.07 0.23 0.00 0.00 176.35 177.02 3gyr h LEU 606 N 12.00 0.82 -1.10 1.79 3.38 -1.39 0.43 115.31 131.24 3gyr h LEU 606 Ca -0.25 0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3gyr h LEU 606 Cb 1.07 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 3gyr h LEU 606 CO 1.17 0.33 0.61 -0.33 0.09 0.00 0.00 178.44 180.31 3gyr h GLU 607 N 0.82 1.13 -0.13 1.13 3.07 -1.91 -0.57 114.58 118.13 3gyr h GLU 607 Ca 0.56 -0.07 -0.21 0.00 -0.50 0.00 0.00 59.36 59.14 3gyr h GLU 607 Cb 0.80 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 3gyr h GLU 607 CO -0.35 0.75 -0.76 0.45 -1.40 0.00 0.00 179.01 177.70 3gyr h HIS 608 N 1.17 0.87 -0.24 4.33 3.86 -0.61 -3.16 115.15 121.37 3gyr h HIS 608 Ca 0.37 -0.38 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 3gyr h HIS 608 Cb 0.02 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.30 3gyr h HIS 608 CO -0.00 1.19 -0.09 1.49 0.86 0.00 0.00 177.93 181.38 3gyr h GLU 609 N 0.44 -0.04 0.00 2.45 4.81 -0.50 -2.17 114.58 119.57 3gyr h GLU 609 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3gyr h GLU 609 Cb 1.37 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.76 3gyr h GLU 609 CO 0.15 -0.03 0.00 -0.25 -0.73 0.00 0.00 179.01 178.15 3gyr n ASP 610 N -5.25 0.21 -2.16 1.04 8.00 -0.26 -2.73 116.55 115.40 3gyr n ASP 610 Ca -0.01 0.57 -0.27 0.00 0.71 0.00 0.00 54.79 55.78 3gyr n ASP 610 Cb 0.17 -0.61 0.03 0.00 -0.02 0.00 0.00 41.12 40.70 3gyr n ASP 610 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3gyr n MET 611 N -1.75 3.39 -0.15 -1.24 2.81 -0.96 -4.56 117.12 114.66 3gyr n MET 611 Ca 0.02 -4.01 0.00 0.00 -1.81 0.00 0.00 57.70 51.90 3gyr n MET 611 Cb 0.13 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.37 3gyr n MET 611 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gyr n GLY 612 N -0.72 2.05 3.11 3.03 0.00 -1.11 -4.94 105.19 106.61 3gyr n GLY 612 Ca 0.48 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 3gyr n GLY 612 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3gyr n MET 613 N -2.00 1.87 -3.60 1.61 0.00 -0.86 -2.62 117.12 111.53 3gyr n MET 613 Ca 0.00 -2.15 -0.12 0.00 0.00 0.00 0.00 57.70 55.43 3gyr n MET 613 Cb 0.00 -3.13 -0.06 0.00 0.00 0.00 0.00 33.22 30.03 3gyr n MET 613 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 3gyr s MET 614 N 4.80 0.66 0.00 2.12 0.00 -1.26 -2.43 119.30 123.19 3gyr s MET 614 Ca 0.57 0.42 -0.02 0.00 0.00 0.00 0.00 55.69 56.66 3gyr s MET 614 Cb 0.12 0.32 -0.01 0.00 0.00 0.00 0.00 34.83 35.26 3gyr s MET 614 CO 0.08 -0.15 0.03 1.03 0.00 0.00 0.00 175.02 176.00 3gyr s ARG 615 N -0.47 0.25 0.45 4.11 1.81 0.11 -2.94 118.95 122.27 3gyr s ARG 615 Ca -0.01 -0.33 -0.21 0.00 -1.72 0.00 0.00 55.73 53.47 3gyr s ARG 615 Cb -0.03 0.10 -0.10 0.00 -0.45 0.00 0.00 34.95 34.47 3gyr s ARG 615 CO -0.00 -0.05 0.98 -1.25 -0.68 0.00 0.00 175.30 174.30 3gyr s PRO 616 N -0.91 4.08 0.05 3.54 0.04 -1.26 -0.90 135.00 139.64 3gyr s PRO 616 Ca -0.10 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.13 3gyr s PRO 616 Cb -0.06 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 3gyr s PRO 616 CO -0.00 -0.17 -0.05 -0.59 0.04 0.00 0.00 177.00 176.23 3gyr s PHE 617 N -2.14 0.55 -0.11 0.56 -0.71 -0.12 -4.46 117.98 111.55 3gyr s PHE 617 Ca 0.63 -0.75 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 3gyr s PHE 617 Cb -0.11 -0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 41.33 3gyr s PHE 617 CO 0.16 -0.21 -0.19 0.08 -1.34 0.00 0.00 175.22 173.72 3gyr s VAL 618 N -2.57 2.53 -0.14 -2.49 1.01 -0.45 0.49 120.40 118.78 3gyr s VAL 618 Ca -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3gyr s VAL 618 Cb -0.02 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 3gyr s VAL 618 CO -0.04 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.75 3gyr s VAL 619 N 0.30 2.64 0.11 2.92 1.01 -0.38 -0.33 120.40 126.68 3gyr s VAL 619 Ca -0.14 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 3gyr s VAL 619 Cb -0.17 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3gyr s VAL 619 CO 0.07 0.52 0.02 0.00 0.00 0.00 0.00 175.10 175.71 3gyr s MET 620 N 0.63 0.86 0.37 2.72 0.23 -0.67 -0.47 119.30 122.97 3gyr s MET 620 Ca -0.09 -1.39 -0.28 0.00 -1.03 0.00 0.00 55.69 52.91 3gyr s MET 620 Cb -0.16 0.14 -0.11 0.00 -1.53 0.00 0.00 34.83 33.17 3gyr s MET 620 CO 0.03 -0.19 1.37 -2.30 -2.03 0.00 0.00 175.02 171.90 3gyr n PRO 621 N -0.05 2.34 -0.32 3.16 -0.02 -1.26 -0.21 135.00 138.63 3gyr n PRO 621 Ca -0.08 0.82 0.16 0.00 -2.02 0.00 0.00 63.50 62.38 3gyr n PRO 621 Cb 0.63 -2.48 0.40 0.00 -0.02 0.00 0.00 33.50 32.03 3gyr n PRO 621 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gyr h PRO 622 N 2.67 0.59 -0.01 0.52 0.11 -1.91 -0.38 132.00 133.59 3gyr h PRO 622 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3gyr h PRO 622 Cb 1.27 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gyr h PRO 622 CO 0.63 0.39 -0.03 0.93 -0.21 0.00 0.00 178.00 179.71 3gyr h GLU 623 N 0.61 0.02 0.00 1.05 3.07 -1.98 -2.29 114.58 115.06 3gyr h GLU 623 Ca 0.56 -0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.27 3gyr h GLU 623 Cb 1.08 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 3gyr h GLU 623 CO -0.32 0.05 -0.86 0.00 -1.40 0.00 0.00 179.01 176.49 3gyr h ALA 624 N 1.95 0.63 -0.56 3.43 0.00 -1.44 -3.26 119.26 120.01 3gyr h ALA 624 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 54.91 54.35 3gyr h ALA 624 Cb 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3gyr h ALA 624 CO 0.00 0.81 0.38 1.25 0.00 0.00 0.00 179.25 181.69 3gyr h LEU 625 N 0.00 0.36 -2.44 0.00 5.85 -0.82 -1.32 115.31 116.94 3gyr h LEU 625 Ca -0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3gyr h LEU 625 Cb 1.51 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.47 3gyr h LEU 625 CO 0.07 0.22 0.04 0.11 -0.34 0.00 0.00 178.44 178.54 3gyr h LYS 626 N 0.40 0.00 -0.53 1.25 1.79 -1.59 -0.76 116.57 117.13 3gyr h LYS 626 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 3gyr h LYS 626 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 3gyr h LYS 626 CO -0.07 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.49 3gyr n PHE 627 N -2.82 0.98 -0.85 -1.35 3.72 -0.50 -5.18 117.46 111.46 3gyr n PHE 627 Ca -0.02 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 3gyr n PHE 627 Cb 0.10 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 3gyr n PHE 627 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24