#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gyr n PRO 38 N 0.00 1.23 -0.89 0.00 -0.01 -1.26 -2.82 135.00 131.26 3gyr n PRO 38 Ca 0.00 0.45 0.00 0.00 -0.01 0.00 0.00 63.50 63.94 3gyr n PRO 38 Cb 0.00 -2.11 0.00 0.00 -0.01 0.00 0.00 33.50 31.38 3gyr n PRO 38 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3gyr n GLY 39 N 3.05 0.52 3.83 -1.23 0.00 -1.26 -5.05 105.19 105.05 3gyr n GLY 39 Ca 0.20 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.63 3.20 0.31 1.61 2.02 -1.13 -4.80 118.70 119.28 3gyr s GLU 40 Ca 0.00 -0.44 -0.28 0.00 0.02 0.00 0.00 54.97 54.27 3gyr s GLU 40 Cb 0.00 -2.94 -0.09 0.00 0.10 0.00 0.00 34.13 31.19 3gyr s GLU 40 CO 0.00 0.65 1.05 -0.51 0.02 0.00 0.00 175.26 176.47 3gyr s LEU 41 N -1.89 4.44 -0.16 1.80 1.43 -1.26 -4.91 118.68 118.13 3gyr s LEU 41 Ca 0.25 2.12 -0.27 0.00 -1.03 0.00 0.00 54.13 55.20 3gyr s LEU 41 Cb -0.12 -3.81 -0.01 0.00 0.03 0.00 0.00 46.19 42.28 3gyr s LEU 41 CO 0.17 -0.19 0.93 -0.89 0.23 0.00 0.00 176.35 176.60 3gyr s THR 42 N -1.34 4.81 0.43 5.49 2.01 -1.26 -5.02 115.64 120.77 3gyr s THR 42 Ca 0.48 1.85 -0.24 0.00 0.31 0.00 0.00 61.69 64.09 3gyr s THR 42 Cb -0.27 -4.23 -0.08 0.00 0.01 0.00 0.00 72.50 67.93 3gyr s THR 42 CO 0.35 -0.02 1.22 -2.16 -0.69 0.00 0.00 174.62 173.32 3gyr s PRO 43 N 2.28 3.86 -0.70 4.92 0.04 -1.26 -3.67 135.00 140.45 3gyr s PRO 43 Ca 0.43 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 63.39 3gyr s PRO 43 Cb -0.17 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.79 3gyr s PRO 43 CO 0.13 -0.52 0.30 1.19 0.04 0.00 0.00 177.00 178.15 3gyr n PHE 44 N -0.18 -0.93 0.40 0.56 0.99 0.04 -4.91 117.46 113.42 3gyr n PHE 44 Ca 0.06 0.26 0.12 0.00 -0.00 0.00 0.00 57.45 57.88 3gyr n PHE 44 Cb 0.46 -2.62 0.13 0.00 -1.00 0.00 0.00 39.48 36.44 3gyr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3gyr h ALA 45 N 0.46 0.61 -3.39 4.37 0.00 -1.71 -3.43 119.26 116.17 3gyr h ALA 45 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.36 3gyr h ALA 45 Cb 1.17 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.73 3gyr h ALA 45 CO 0.26 0.00 -0.74 0.00 0.00 0.00 0.00 179.25 178.76 3gyr s ALA 46 N -3.23 0.60 0.55 0.00 0.00 -1.26 -4.95 121.76 113.47 3gyr s ALA 46 Ca 0.04 -0.65 -0.18 0.00 0.00 0.00 0.00 51.96 51.17 3gyr s ALA 46 Cb 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 3gyr s ALA 46 CO 0.73 0.03 1.08 -1.25 0.00 0.00 0.00 175.76 176.36 3gyr s PRO 47 N -1.21 3.41 0.37 0.00 0.04 -1.26 -1.47 135.00 134.88 3gyr s PRO 47 Ca -0.06 1.42 -0.28 0.00 0.04 0.00 0.00 61.00 62.12 3gyr s PRO 47 Cb -0.08 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 3gyr s PRO 47 CO 0.00 -0.76 1.50 -1.17 0.04 0.00 0.00 177.00 176.61 3gyr s LEU 48 N -3.98 4.32 0.38 -3.56 2.96 0.12 -4.73 118.68 114.19 3gyr s LEU 48 Ca 0.68 3.05 0.08 0.00 -0.22 0.00 0.00 54.13 57.72 3gyr s LEU 48 Cb -0.19 -3.67 -0.04 0.00 0.50 0.00 0.00 46.19 42.79 3gyr s LEU 48 CO 0.29 -0.88 0.18 0.42 -1.32 0.00 0.00 176.35 175.03 3gyr s THR 49 N -1.02 2.66 0.05 3.68 -4.23 -1.26 -5.00 115.64 110.52 3gyr s THR 49 Ca 0.54 -1.67 0.07 0.00 -1.18 0.00 0.00 61.69 59.44 3gyr s THR 49 Cb -0.47 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.37 3gyr s THR 49 CO 0.62 -0.09 -0.19 0.68 -0.54 0.00 0.00 174.62 175.10 3gyr s VAL 50 N -2.51 1.53 0.67 2.29 -7.23 -1.26 -4.79 120.40 109.10 3gyr s VAL 50 Ca 0.40 -1.21 -0.17 0.00 -1.81 0.00 0.00 61.98 59.19 3gyr s VAL 50 Cb 0.00 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.59 3gyr s VAL 50 CO 0.23 0.10 1.29 -2.65 -0.31 0.00 0.00 175.10 173.76 3gyr n PRO 51 N 1.71 0.98 -1.58 4.82 -0.02 -1.26 -4.97 135.00 134.69 3gyr n PRO 51 Ca -0.18 0.39 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 3gyr n PRO 51 Cb 0.54 -2.53 0.08 0.00 -0.02 0.00 0.00 33.50 31.57 3gyr n PRO 51 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gyr s PRO 52 N -3.49 2.32 -0.07 0.52 0.04 -1.26 -4.48 135.00 128.58 3gyr s PRO 52 Ca 0.82 1.92 -0.20 0.00 0.04 0.00 0.00 61.00 63.58 3gyr s PRO 52 Cb -0.37 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3gyr s PRO 52 CO 0.42 -1.74 0.54 0.08 0.04 0.00 0.00 177.00 176.34 3gyr s VAL 53 N -1.68 5.08 -0.15 -0.36 1.01 -1.26 -0.92 120.40 122.12 3gyr s VAL 53 Ca 0.79 1.11 -0.00 0.00 0.00 0.00 0.00 61.98 63.88 3gyr s VAL 53 Cb -0.33 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 3gyr s VAL 53 CO 0.42 0.35 -0.13 -0.22 0.00 0.00 0.00 175.10 175.53 3gyr s LEU 54 N 0.33 2.64 -0.49 3.92 2.96 0.68 -4.90 118.68 123.82 3gyr s LEU 54 Ca 0.29 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3gyr s LEU 54 Cb -0.16 -1.60 0.13 0.00 0.50 0.00 0.00 46.19 45.05 3gyr s LEU 54 CO 0.14 0.12 0.25 -0.13 -1.32 0.00 0.00 176.35 175.41 3gyr s ARG 55 N 0.64 2.04 0.00 1.98 0.52 -1.26 -0.27 118.95 122.60 3gyr s ARG 55 Ca -0.07 -2.28 0.30 0.00 -0.52 0.00 0.00 55.73 53.16 3gyr s ARG 55 Cb -0.16 -3.47 1.39 0.00 0.52 0.00 0.00 34.95 33.24 3gyr s ARG 55 CO 0.03 -1.08 1.95 -0.35 0.02 0.00 0.00 175.30 175.86 3gyr n PRO 56 N 3.76 0.90 -2.56 3.54 -0.04 -1.26 -4.92 135.00 134.42 3gyr n PRO 56 Ca 0.04 -0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 62.83 3gyr n PRO 56 Cb 0.38 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 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 -2.29 3.38 0.18 0.55 0.00 -1.26 -4.85 121.76 117.47 3gyr s ALA 57 Ca 0.35 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 52.97 3gyr s ALA 57 Cb 0.21 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 20.05 3gyr s ALA 57 CO 0.43 -0.06 0.43 -1.54 0.00 0.00 0.00 175.76 175.02 3gyr s SER 58 N -0.85 -0.15 0.49 0.00 1.04 -1.26 -5.03 113.70 107.94 3gyr s SER 58 Ca 0.44 -0.60 0.15 0.00 0.48 0.00 0.00 55.95 56.42 3gyr s SER 58 Cb -0.30 0.52 1.18 0.00 0.10 0.00 0.00 66.02 67.53 3gyr s SER 58 CO 0.38 -0.98 2.10 0.44 0.98 0.00 0.00 173.24 176.15 3gyr h ASP 59 N 2.33 0.13 -3.40 7.02 3.32 -1.99 -3.38 116.42 120.45 3gyr h ASP 59 Ca -0.30 -0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.01 3gyr h ASP 59 Cb 1.25 -0.03 -0.29 0.00 0.22 0.00 0.00 39.33 40.48 3gyr h ASP 59 CO 0.42 0.09 -0.30 -0.70 -1.72 0.00 0.00 179.24 177.03 3gyr s GLU 60 N -5.18 2.72 0.42 3.56 2.12 -1.26 -4.94 118.70 116.14 3gyr s GLU 60 Ca -0.06 -1.92 0.19 0.00 0.36 0.00 0.00 54.97 53.55 3gyr s GLU 60 Cb 0.18 -4.04 0.93 0.00 0.26 0.00 0.00 34.13 31.45 3gyr s GLU 60 CO 0.70 -1.23 1.87 -0.24 -0.54 0.00 0.00 175.26 175.82 3gyr h VAL 61 N 5.84 0.93 0.00 3.70 3.04 -1.93 -1.79 116.25 126.04 3gyr h VAL 61 Ca -0.17 -1.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.40 3gyr h VAL 61 Cb 1.06 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 32.00 3gyr h VAL 61 CO 0.87 0.29 0.00 0.35 -1.01 0.00 0.00 177.57 178.06 3gyr n THR 62 N -3.78 0.59 -2.92 3.17 -2.24 -1.26 -4.49 114.28 103.35 3gyr n THR 62 Ca -0.01 0.15 -0.44 0.00 -2.27 0.00 0.00 64.05 61.48 3gyr n THR 62 Cb 0.39 -0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.74 3.20 0.70 -0.78 3.52 -0.67 -5.02 118.95 117.15 3gyr s ARG 63 Ca 0.14 -1.14 -0.13 0.00 -0.13 0.00 0.00 55.73 54.47 3gyr s ARG 63 Cb 0.12 -4.38 0.02 0.00 -1.56 0.00 0.00 34.95 29.14 3gyr s ARG 63 CO 0.29 -1.75 1.08 -1.21 -0.81 0.00 0.00 175.30 172.90 3gyr s GLU 64 N 3.48 2.74 -0.27 5.12 2.02 -1.26 -4.83 118.70 125.70 3gyr s GLU 64 Ca 0.22 1.18 -0.16 0.00 0.02 0.00 0.00 54.97 56.23 3gyr s GLU 64 Cb -0.16 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 32.08 3gyr s GLU 64 CO 0.05 -1.27 0.42 0.99 0.02 0.00 0.00 175.26 175.47 3gyr s THR 65 N -2.73 5.14 -0.10 3.63 2.01 -0.23 -4.92 115.64 118.45 3gyr s THR 65 Ca 0.62 0.66 -0.28 0.00 0.31 0.00 0.00 61.69 63.00 3gyr s THR 65 Cb -0.17 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 3gyr s THR 65 CO 0.49 0.13 0.94 -0.70 -0.69 0.00 0.00 174.62 174.79 3gyr s GLU 66 N 2.15 4.42 -0.33 4.92 2.12 -1.26 -0.36 118.70 130.36 3gyr s GLU 66 Ca 0.17 1.27 -0.03 0.00 0.36 0.00 0.00 54.97 56.75 3gyr s GLU 66 Cb -0.16 -3.53 0.06 0.00 0.26 0.00 0.00 34.13 30.77 3gyr s GLU 66 CO 0.10 -0.24 0.06 0.42 -0.54 0.00 0.00 175.26 175.05 3gyr s ILE 67 N 1.78 3.15 -0.28 -3.70 1.01 0.10 -4.92 121.20 118.34 3gyr s ILE 67 Ca 0.46 -1.50 -0.17 0.00 0.00 0.00 0.00 60.65 59.43 3gyr s ILE 67 Cb -0.18 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 3gyr s ILE 67 CO 0.18 -0.25 0.49 0.00 0.00 0.00 0.00 174.94 175.37 3gyr s ALA 68 N 1.24 3.56 -0.10 9.38 0.00 -1.26 -0.68 121.76 133.90 3gyr s ALA 68 Ca -0.02 -0.74 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 3gyr s ALA 68 Cb -0.20 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 3gyr s ALA 68 CO -0.01 -0.85 1.47 -0.51 0.00 0.00 0.00 175.76 175.87 3gyr s LEU 69 N 2.29 4.26 0.01 0.00 1.02 -0.27 0.96 118.68 126.95 3gyr s LEU 69 Ca 0.19 1.99 0.00 0.00 0.02 0.00 0.00 54.13 56.34 3gyr s LEU 69 Cb -0.16 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 42.51 3gyr s LEU 69 CO 0.10 -0.85 -0.02 -0.13 0.02 0.00 0.00 176.35 175.47 3gyr s ARG 70 N 3.77 0.21 0.62 1.70 0.52 -0.03 -1.33 118.95 124.40 3gyr s ARG 70 Ca 0.65 -0.38 -0.19 0.00 -0.52 0.00 0.00 55.73 55.29 3gyr s ARG 70 Cb -0.28 0.04 -0.03 0.00 0.52 0.00 0.00 34.95 35.20 3gyr s ARG 70 CO 0.23 -0.02 1.18 -2.30 0.02 0.00 0.00 175.30 174.40 3gyr n PRO 71 N 2.16 1.11 -3.56 3.54 -0.02 -1.26 -0.69 135.00 136.29 3gyr n PRO 71 Ca -0.19 0.43 -0.13 0.00 -2.02 0.00 0.00 63.50 61.58 3gyr n PRO 71 Cb 0.57 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 3gyr n PRO 71 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3gyr s THR 72 N -1.42 0.03 -0.18 3.45 -1.32 0.18 -4.81 115.64 111.57 3gyr s THR 72 Ca 0.79 -0.24 -0.05 0.00 -1.21 0.00 0.00 61.69 60.99 3gyr s THR 72 Cb -0.40 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.56 3gyr s THR 72 CO 0.44 -0.13 -0.01 0.26 -2.21 0.00 0.00 174.62 172.97 3gyr s TRP 73 N -2.74 3.04 -0.07 9.09 0.52 -1.26 -1.04 118.94 126.48 3gyr s TRP 73 Ca -0.04 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 55.74 3gyr s TRP 73 Cb -0.00 -2.03 0.00 0.00 -1.15 0.00 0.00 33.47 30.28 3gyr s TRP 73 CO -0.04 -0.15 -0.20 0.08 0.02 0.00 0.00 176.95 176.66 3gyr s VAL 74 N 0.73 1.73 -0.89 4.03 1.01 0.15 -4.84 120.40 122.32 3gyr s VAL 74 Ca -0.01 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 3gyr s VAL 74 Cb -0.14 -1.50 0.16 0.00 0.00 0.00 0.00 36.38 34.90 3gyr s VAL 74 CO 0.02 0.49 1.01 -0.60 0.00 0.00 0.00 175.10 176.02 3gyr s ARG 75 N 0.26 3.59 0.48 2.72 6.06 -1.26 0.33 118.95 131.13 3gyr s ARG 75 Ca -0.12 -1.96 0.19 0.00 -2.50 0.00 0.00 55.73 51.33 3gyr s ARG 75 Cb -0.15 -4.75 1.20 0.00 0.06 0.00 0.00 34.95 31.31 3gyr s ARG 75 CO 0.06 -1.62 2.00 -0.07 -2.50 0.00 0.00 175.30 173.16 3gyr h LEU 76 N 9.61 0.18 -7.00 -0.88 3.38 -1.83 -3.45 115.31 115.32 3gyr h LEU 76 Ca 0.13 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3gyr h LEU 76 Cb 1.03 -0.03 -0.25 0.00 0.09 0.00 0.00 40.66 41.50 3gyr h LEU 76 CO 1.00 0.11 0.35 -2.28 0.09 0.00 0.00 178.44 177.71 3gyr s HIS 77 N -5.21 -0.60 0.60 1.13 5.04 -1.26 -1.24 115.29 113.76 3gyr s HIS 77 Ca -0.06 1.34 0.28 0.00 -1.54 0.00 0.00 55.06 55.08 3gyr s HIS 77 Cb 0.19 0.38 1.33 0.00 0.04 0.00 0.00 32.58 34.52 3gyr s HIS 77 CO 0.73 -0.29 1.73 -1.35 -2.34 0.00 0.00 174.74 173.22 3gyr h PRO 78 N 5.08 0.00 -0.02 2.88 0.11 -1.92 0.23 132.00 138.36 3gyr h PRO 78 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3gyr h PRO 78 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3gyr h PRO 78 CO 0.13 0.00 -0.17 1.04 -0.21 0.00 0.00 178.00 178.79 3gyr n GLN 79 N -3.51 1.47 -3.99 1.05 6.02 -1.26 -4.87 117.38 112.30 3gyr n GLN 79 Ca 0.11 -1.04 -0.21 0.00 -0.01 0.00 0.00 57.00 55.85 3gyr n GLN 79 Cb 0.88 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.63 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 -2.24 3.90 0.92 1.08 1.43 0.80 -5.07 118.68 119.51 3gyr s LEU 80 Ca 0.28 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 3gyr s LEU 80 Cb 0.20 -2.47 0.14 0.00 0.03 0.00 0.00 46.19 44.09 3gyr s LEU 80 CO 0.43 -0.13 1.12 -2.16 0.23 0.00 0.00 176.35 175.85 3gyr s PRO 81 N -3.92 1.06 0.67 1.29 0.04 -1.26 -4.78 135.00 128.08 3gyr s PRO 81 Ca 0.35 0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.60 3gyr s PRO 81 Cb -0.08 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 3gyr s PRO 81 CO 0.27 -2.27 1.20 -2.30 0.04 0.00 0.00 177.00 173.93 3gyr n PRO 82 N -3.83 0.92 -4.51 0.56 -0.02 -1.26 -4.67 135.00 122.18 3gyr n PRO 82 Ca 0.06 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.58 3gyr n PRO 82 Cb 0.58 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.52 2.99 -0.03 3.45 2.01 0.15 -4.84 115.64 117.86 3gyr s THR 83 Ca 0.80 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 3gyr s THR 83 Cb -0.37 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 3gyr s THR 83 CO 0.43 0.50 1.52 -0.22 -0.69 0.00 0.00 174.62 176.17 3gyr s LEU 84 N 0.72 4.31 0.29 4.42 2.96 -1.26 0.30 118.68 130.42 3gyr s LEU 84 Ca -0.06 2.17 0.02 0.00 -0.22 0.00 0.00 54.13 56.05 3gyr s LEU 84 Cb -0.15 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 3gyr s LEU 84 CO 0.02 -0.83 0.13 -0.04 -1.32 0.00 0.00 176.35 174.31 3gyr s MET 85 N 3.18 1.54 -0.16 1.98 -1.94 -0.21 -4.76 119.30 118.93 3gyr s MET 85 Ca 0.68 -1.86 -0.01 0.00 -1.71 0.00 0.00 55.69 52.79 3gyr s MET 85 Cb -0.32 -0.19 -0.01 0.00 2.01 0.00 0.00 34.83 36.32 3gyr s MET 85 CO 0.27 -0.39 -0.12 -1.58 -0.01 0.00 0.00 175.02 173.20 3gyr s TRP 86 N -3.65 2.84 -0.02 -0.03 0.51 0.06 -0.64 118.94 118.01 3gyr s TRP 86 Ca 0.36 -0.86 0.06 0.00 -2.12 0.00 0.00 56.10 53.54 3gyr s TRP 86 Cb 0.06 -1.92 -0.01 0.00 -0.81 0.00 0.00 33.47 30.78 3gyr s TRP 86 CO 0.16 -0.38 -0.19 0.20 -0.51 0.00 0.00 176.95 176.22 3gyr s GLY 87 N 0.78 0.97 0.17 0.98 0.00 0.13 -3.23 107.32 107.12 3gyr s GLY 87 Ca -0.04 -0.82 -0.32 0.00 0.00 0.00 0.00 44.72 43.54 3gyr s GLY 87 CO 0.01 -0.62 1.72 -0.19 0.00 0.00 0.00 173.10 174.02 3gyr s TYR 88 N -0.34 2.69 -0.50 1.90 2.02 -1.21 -0.85 117.35 121.06 3gyr s TYR 88 Ca 0.04 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.04 3gyr s TYR 88 Cb -0.09 -4.10 0.00 0.00 -0.40 0.00 0.00 41.96 37.37 3gyr s TYR 88 CO 0.00 -4.27 0.00 -0.25 -1.57 0.00 0.00 175.55 169.46 3gyr n ASP 89 N 4.57 -2.00 -0.52 2.29 8.00 0.27 -1.20 116.55 127.96 3gyr n ASP 89 Ca 0.16 0.29 -0.07 0.00 0.71 0.00 0.00 54.79 55.88 3gyr n ASP 89 Cb 0.37 -1.89 -0.03 0.00 -0.02 0.00 0.00 41.12 39.55 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 -0.46 0.82 3.33 0.44 0.00 -0.60 -4.98 105.19 103.75 3gyr n GLY 90 Ca -0.06 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.71 2.03 -0.12 1.61 -1.52 -0.34 -4.85 119.66 113.75 3gyr s GLN 91 Ca 0.00 -0.98 -0.01 0.00 -1.95 0.00 0.00 55.36 52.42 3gyr s GLN 91 Cb 0.00 -2.04 0.03 0.00 -0.22 0.00 0.00 33.01 30.78 3gyr s GLN 91 CO 0.00 0.55 -0.06 0.08 -0.25 0.00 0.00 175.29 175.61 3gyr s VAL 92 N -0.69 0.94 1.02 1.09 1.01 -1.26 -3.20 120.40 119.31 3gyr s VAL 92 Ca 0.11 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 3gyr s VAL 92 Cb -0.10 -1.02 0.20 0.00 0.00 0.00 0.00 36.38 35.46 3gyr s VAL 92 CO 0.00 0.30 1.03 -2.65 0.00 0.00 0.00 175.10 173.78 3gyr n PRO 93 N 4.96 -1.24 -0.52 2.72 -0.02 -1.26 -4.29 135.00 135.34 3gyr n PRO 93 Ca -0.12 -0.31 -0.29 0.00 -2.02 0.00 0.00 63.50 60.76 3gyr n PRO 93 Cb 0.50 -2.25 0.24 0.00 -0.02 0.00 0.00 33.50 31.96 3gyr n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gyr n GLY 94 N 0.66 -2.08 3.64 -1.23 0.00 0.29 -4.81 105.19 101.66 3gyr n GLY 94 Ca 0.08 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 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 -4.39 0.64 -2.87 1.61 -0.02 -1.26 -4.53 135.00 124.18 3gyr n PRO 95 Ca 0.03 0.27 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 3gyr n PRO 95 Cb 0.55 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.72 4.58 -0.01 3.45 2.01 -0.09 -4.32 115.64 119.53 3gyr s THR 96 Ca 0.75 0.85 -0.29 0.00 0.31 0.00 0.00 61.69 63.32 3gyr s THR 96 Cb -0.36 -4.34 -0.03 0.00 0.01 0.00 0.00 72.50 67.78 3gyr s THR 96 CO 0.48 -0.65 0.92 -0.63 -0.69 0.00 0.00 174.62 174.05 3gyr s ILE 97 N 3.47 4.89 -0.09 1.82 1.01 -0.69 -0.23 121.20 131.38 3gyr s ILE 97 Ca 0.35 1.93 0.03 0.00 0.00 0.00 0.00 60.65 62.96 3gyr s ILE 97 Cb -0.12 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.10 3gyr s ILE 97 CO 0.22 0.19 -0.20 -0.70 0.00 0.00 0.00 174.94 174.44 3gyr s GLU 98 N 0.90 2.62 0.20 2.79 2.12 0.62 -0.63 118.70 127.33 3gyr s GLU 98 Ca 0.49 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 55.09 3gyr s GLU 98 Cb -0.20 -2.02 -0.04 0.00 0.26 0.00 0.00 34.13 32.12 3gyr s GLU 98 CO 0.26 0.13 0.08 0.14 -0.54 0.00 0.00 175.26 175.33 3gyr s VAL 99 N 0.45 0.30 0.06 3.70 -7.23 -0.79 -4.34 120.40 112.55 3gyr s VAL 99 Ca -0.17 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.03 3gyr s VAL 99 Cb -0.17 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 3gyr s VAL 99 CO 0.07 -0.19 0.14 -0.13 -0.31 0.00 0.00 175.10 174.69 3gyr s ARG 100 N -4.06 3.19 -0.07 4.82 0.52 -1.26 -0.03 118.95 122.06 3gyr s ARG 100 Ca 0.33 -0.53 -0.40 0.00 -0.52 0.00 0.00 55.73 54.61 3gyr s ARG 100 Cb 0.07 -2.91 -0.19 0.00 0.52 0.00 0.00 34.95 32.45 3gyr s ARG 100 CO 0.09 0.60 1.30 -2.13 0.02 0.00 0.00 175.30 175.18 3gyr n ARG 101 N 0.50 0.47 0.00 3.54 0.63 0.27 -1.35 116.66 120.73 3gyr n ARG 101 Ca -0.08 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 3gyr n ARG 101 Cb 0.52 -1.73 0.00 0.00 0.45 0.00 0.00 32.46 31.69 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 2.44 1.06 3.58 5.14 0.00 0.82 -4.99 105.19 113.23 3gyr n GLY 102 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.66 3.45 0.09 1.61 -0.21 -0.45 -4.94 119.66 118.55 3gyr s GLN 103 Ca 0.00 0.33 -0.31 0.00 0.02 0.00 0.00 55.36 55.40 3gyr s GLN 103 Cb 0.00 -4.05 -0.08 0.00 1.00 0.00 0.00 33.01 29.88 3gyr s GLN 103 CO 0.00 -1.76 1.47 0.50 -2.12 0.00 0.00 175.29 173.38 3gyr s ARG 104 N 5.13 4.27 -0.01 2.91 3.52 -1.26 -4.52 118.95 128.99 3gyr s ARG 104 Ca 0.46 2.15 0.04 0.00 -0.13 0.00 0.00 55.73 58.25 3gyr s ARG 104 Cb -0.09 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 3gyr s ARG 104 CO 0.25 -0.55 -0.12 0.08 -0.81 0.00 0.00 175.30 174.16 3gyr s VAL 105 N 1.66 0.94 -0.09 7.11 1.01 -0.90 -4.74 120.40 125.40 3gyr s VAL 105 Ca 0.67 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.17 3gyr s VAL 105 Cb -0.37 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3gyr s VAL 105 CO 0.30 0.26 -0.21 -0.13 0.00 0.00 0.00 175.10 175.32 3gyr s ARG 106 N -0.29 2.69 -0.03 2.72 0.52 -1.26 -0.89 118.95 122.40 3gyr s ARG 106 Ca 0.05 -0.78 0.04 0.00 -0.52 0.00 0.00 55.73 54.52 3gyr s ARG 106 Cb -0.05 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.34 3gyr s ARG 106 CO -0.00 0.17 -0.16 0.42 0.02 0.00 0.00 175.30 175.74 3gyr s ILE 107 N 0.35 1.35 -0.52 1.52 1.01 -0.18 -1.06 121.20 123.67 3gyr s ILE 107 Ca -0.16 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 3gyr s ILE 107 Cb -0.17 -1.15 0.13 0.00 0.01 0.00 0.00 42.46 41.28 3gyr s ILE 107 CO 0.07 0.39 0.42 0.00 0.00 0.00 0.00 174.94 175.82 3gyr s ALA 108 N -0.09 3.52 -0.42 9.38 0.00 0.52 -1.16 121.76 133.51 3gyr s ALA 108 Ca -0.01 -2.62 -0.29 0.00 0.00 0.00 0.00 51.96 49.05 3gyr s ALA 108 Cb -0.10 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.04 3gyr s ALA 108 CO 0.01 -1.97 1.41 -1.58 0.00 0.00 0.00 175.76 173.63 3gyr s TRP 109 N 1.29 2.39 -0.22 0.00 0.52 0.35 0.00 118.94 123.27 3gyr s TRP 109 Ca 0.06 0.66 0.02 0.00 0.02 0.00 0.00 56.10 56.86 3gyr s TRP 109 Cb -0.26 -4.32 0.04 0.00 -1.15 0.00 0.00 33.47 27.78 3gyr s TRP 109 CO -0.00 -1.98 -0.13 0.99 0.02 0.00 0.00 176.95 175.85 3gyr s THR 110 N 5.48 1.95 -0.51 2.01 2.01 0.15 -0.16 115.64 126.57 3gyr s THR 110 Ca 0.61 -1.24 -0.27 0.00 0.31 0.00 0.00 61.69 61.09 3gyr s THR 110 Cb -0.13 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 3gyr s THR 110 CO 0.32 0.18 1.72 0.21 -0.69 0.00 0.00 174.62 176.37 3gyr s ASN 111 N 1.25 5.69 -0.26 3.53 3.84 -0.70 -1.11 114.94 127.18 3gyr s ASN 111 Ca -0.03 0.63 0.10 0.00 0.21 0.00 0.00 52.86 53.78 3gyr s ASN 111 Cb -0.17 -2.53 0.49 0.00 -0.55 0.00 0.00 41.25 38.49 3gyr s ASN 111 CO -0.08 -1.99 1.43 0.54 -2.79 0.00 0.00 177.10 174.20 3gyr n ARG 112 N 8.80 1.94 -2.93 0.43 5.12 -0.44 -0.38 116.66 129.18 3gyr n ARG 112 Ca 0.19 -3.13 -0.42 0.00 -1.93 0.00 0.00 57.85 52.56 3gyr n ARG 112 Cb 0.50 -1.79 -0.05 0.00 -1.16 0.00 0.00 32.46 29.96 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 -3.18 4.72 0.42 0.55 1.01 -1.13 -4.71 121.20 118.89 3gyr s ILE 113 Ca 0.43 0.99 -0.25 0.00 0.00 0.00 0.00 60.65 61.82 3gyr s ILE 113 Cb 0.39 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 3gyr s ILE 113 CO 0.01 -0.41 1.22 -2.65 0.00 0.00 0.00 174.94 173.11 3gyr n PRO 114 N 6.42 1.82 -1.67 2.79 -0.02 -1.26 -4.49 135.00 138.61 3gyr n PRO 114 Ca 0.04 0.65 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 3gyr n PRO 114 Cb 0.48 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.08 1.90 -0.07 -0.52 5.02 -1.26 -2.43 118.16 120.88 3gyr n LYS 115 Ca 0.07 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 3gyr n LYS 115 Cb 0.39 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 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 1.07 1.04 3.76 0.72 0.00 -1.26 -5.03 105.19 105.49 3gyr n GLY 116 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3gyr n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gyr n SER 117 N 0.00 3.72 -4.76 1.61 7.64 -1.02 -4.94 113.62 115.88 3gyr n SER 117 Ca 0.00 1.20 -0.41 0.00 1.01 0.00 0.00 58.87 60.67 3gyr n SER 117 Cb 0.00 -1.60 -0.01 0.00 -1.01 0.00 0.00 64.21 61.59 3gyr n SER 117 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3gyr n GLU 118 N 0.91 2.70 -2.44 1.43 2.13 -1.26 -4.93 120.64 119.18 3gyr n GLU 118 Ca 0.04 0.95 -0.42 0.00 0.66 0.00 0.00 57.16 58.39 3gyr n GLU 118 Cb 0.38 -2.72 -0.03 0.00 0.27 0.00 0.00 31.44 29.34 3gyr n GLU 118 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3gyr s TYR 119 N -0.36 3.24 0.08 4.31 5.04 -1.26 -4.93 117.35 123.46 3gyr s TYR 119 Ca 0.60 1.21 0.29 0.00 -2.44 0.00 0.00 57.07 56.74 3gyr s TYR 119 Cb -0.49 -3.43 1.14 0.00 0.35 0.00 0.00 41.96 39.52 3gyr s TYR 119 CO 0.53 -1.37 1.90 -1.35 -1.34 0.00 0.00 175.55 173.93 3gyr h PRO 120 N 7.31 0.00 -4.97 4.97 0.11 -1.93 -3.42 132.00 134.07 3gyr h PRO 120 Ca -0.37 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.09 3gyr h PRO 120 Cb 1.18 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.05 3gyr h PRO 120 CO 0.86 0.08 -0.65 0.08 -0.21 0.00 0.00 178.00 178.17 3gyr s VAL 121 N -3.64 4.10 0.04 3.15 1.01 -1.26 -4.07 120.40 119.73 3gyr s VAL 121 Ca 0.01 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 3gyr s VAL 121 Cb 0.09 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 3gyr s VAL 121 CO 0.59 0.36 0.77 -0.89 0.00 0.00 0.00 175.10 175.93 3gyr s THR 122 N 1.56 4.74 -0.12 3.92 2.01 0.17 -4.74 115.64 123.18 3gyr s THR 122 Ca 0.06 1.65 0.01 0.00 0.31 0.00 0.00 61.69 63.72 3gyr s THR 122 Cb -0.15 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 3gyr s THR 122 CO 0.02 0.35 -0.16 -0.55 -0.69 0.00 0.00 174.62 173.59 3gyr s SER 123 N 0.02 3.73 0.02 3.53 0.15 -1.26 -0.63 113.70 119.27 3gyr s SER 123 Ca 0.39 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.65 3gyr s SER 123 Cb -0.20 -1.54 -0.02 0.00 -1.71 0.00 0.00 66.02 62.55 3gyr s SER 123 CO 0.23 0.17 -0.05 0.68 1.20 0.00 0.00 173.24 175.47 3gyr s VAL 124 N 0.33 0.27 -0.14 4.45 -7.23 -0.88 0.51 120.40 117.72 3gyr s VAL 124 Ca -0.13 -0.81 -0.03 0.00 -1.81 0.00 0.00 61.98 59.20 3gyr s VAL 124 Cb -0.16 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 3gyr s VAL 124 CO 0.07 -0.35 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.85 3gyr s GLU 125 N -1.22 3.48 0.10 4.82 2.02 -1.26 -1.70 118.70 124.94 3gyr s GLU 125 Ca -0.11 -0.53 0.09 0.00 0.02 0.00 0.00 54.97 54.45 3gyr s GLU 125 Cb -0.08 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 3gyr s GLU 125 CO -0.00 0.33 -0.23 0.14 0.02 0.00 0.00 175.26 175.51 3gyr s VAL 126 N 0.11 1.92 0.65 2.63 -7.23 0.16 -4.93 120.40 113.71 3gyr s VAL 126 Ca -0.01 -1.55 -0.17 0.00 -1.81 0.00 0.00 61.98 58.44 3gyr s VAL 126 Cb -0.14 -1.71 -0.09 0.00 0.56 0.00 0.00 36.38 35.01 3gyr s VAL 126 CO 0.03 0.07 0.28 -2.65 -0.31 0.00 0.00 175.10 172.52 3gyr n PRO 127 N 1.20 0.28 -1.83 4.82 -0.02 -1.26 -0.99 135.00 137.21 3gyr n PRO 127 Ca -0.18 0.12 -0.37 0.00 -2.02 0.00 0.00 63.50 61.05 3gyr n PRO 127 Cb 0.53 -1.54 0.06 0.00 -0.02 0.00 0.00 33.50 32.53 3gyr n PRO 127 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gyr s LEU 128 N 1.86 3.60 0.67 2.45 2.96 -1.25 -4.67 118.68 124.30 3gyr s LEU 128 Ca 0.63 2.54 0.04 0.00 -0.22 0.00 0.00 54.13 57.12 3gyr s LEU 128 Cb -0.40 -4.61 0.12 0.00 0.50 0.00 0.00 46.19 41.80 3gyr s LEU 128 CO 0.60 -1.87 0.92 -0.83 -1.32 0.00 0.00 176.35 173.86 3gyr s GLY 129 N -1.48 1.73 0.31 7.98 0.00 -1.26 -5.05 107.32 109.55 3gyr s GLY 129 Ca 0.81 -1.99 -0.27 0.00 0.00 0.00 0.00 44.72 43.26 3gyr s GLY 129 CO 0.37 -1.44 1.01 -1.05 0.00 0.00 0.00 173.10 172.00 3gyr n PRO 130 N -2.60 1.38 -0.93 2.90 -0.01 -1.26 -4.91 135.00 129.56 3gyr n PRO 130 Ca 0.16 0.48 -0.31 0.00 -0.01 0.00 0.00 63.50 63.83 3gyr n PRO 130 Cb 0.61 -1.89 0.14 0.00 -0.01 0.00 0.00 33.50 32.36 3gyr n PRO 130 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 175.50 173.35 3gyr s PRO 131 N -1.63 1.38 -1.02 0.52 0.02 -1.26 -2.64 135.00 130.37 3gyr s PRO 131 Ca 0.59 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.93 3gyr s PRO 131 Cb -0.67 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.06 3gyr s PRO 131 CO 0.60 -2.30 0.00 0.41 -0.33 0.00 0.00 177.00 175.37 3gyr n GLY 132 N -0.38 0.91 3.54 0.52 0.00 -1.26 -4.99 105.19 103.54 3gyr n GLY 132 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.71 2.98 0.17 2.61 -4.23 -1.08 -5.09 115.64 109.29 3gyr s THR 133 Ca 0.00 -1.90 -0.33 0.00 -1.18 0.00 0.00 61.69 58.28 3gyr s THR 133 Cb 0.00 -2.51 -0.14 0.00 1.34 0.00 0.00 72.50 71.19 3gyr s THR 133 CO 0.00 -0.21 1.45 -2.65 -0.54 0.00 0.00 174.62 172.66 3gyr n PRO 134 N -0.22 1.85 -1.22 3.99 -0.02 -1.26 -4.91 135.00 133.21 3gyr n PRO 134 Ca -0.09 0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 3gyr n PRO 134 Cb 0.57 -2.35 0.12 0.00 -0.02 0.00 0.00 33.50 31.82 3gyr n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gyr s ALA 135 N 0.44 1.93 0.64 3.55 0.00 -1.26 -4.89 121.76 122.17 3gyr s ALA 135 Ca 0.76 0.85 0.37 0.00 0.00 0.00 0.00 51.96 53.94 3gyr s ALA 135 Cb -0.73 -3.48 2.06 0.00 0.00 0.00 0.00 23.12 20.96 3gyr s ALA 135 CO 0.44 -2.16 2.22 -1.35 0.00 0.00 0.00 175.76 174.92 3gyr h PRO 136 N -0.71 0.00 0.00 0.00 0.11 -1.91 -1.83 132.00 127.66 3gyr h PRO 136 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gyr h PRO 136 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 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 -3.30 0.00 -0.16 -2.05 6.94 -1.26 -1.45 115.26 113.98 3gyr n ASN 137 Ca -0.02 -0.61 0.08 0.00 -0.02 0.00 0.00 54.58 54.01 3gyr n ASN 137 Cb 0.18 -0.11 0.39 0.00 -2.36 0.00 0.00 39.78 37.88 3gyr n ASN 137 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3gyr n THR 138 N -1.11 0.08 -4.13 5.53 -2.24 -0.69 -3.89 114.28 107.84 3gyr n THR 138 Ca 0.18 -0.11 -0.15 0.00 -2.27 0.00 0.00 64.05 61.71 3gyr n THR 138 Cb 0.14 -0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.19 3gyr n THR 138 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3gyr s GLU 139 N -1.92 0.58 0.94 -0.78 2.02 -0.53 -4.73 118.70 114.28 3gyr s GLU 139 Ca 0.24 -0.65 -0.13 0.00 0.02 0.00 0.00 54.97 54.45 3gyr s GLU 139 Cb 0.12 -0.44 0.16 0.00 0.10 0.00 0.00 34.13 34.06 3gyr s GLU 139 CO 0.18 0.10 1.13 -1.25 0.02 0.00 0.00 175.26 175.44 3gyr s PRO 140 N -1.22 0.89 0.00 0.39 0.04 -1.26 -4.91 135.00 128.93 3gyr s PRO 140 Ca -0.05 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.29 3gyr s PRO 140 Cb -0.08 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3gyr s PRO 140 CO 0.01 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 175.09 3gyr n GLY 141 N -1.98 0.40 0.30 0.56 0.00 -0.61 -4.77 105.19 99.08 3gyr n GLY 141 Ca 0.07 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 0.53 0.75 -3.40 1.61 1.74 -1.26 -4.88 116.66 111.76 3gyr n ARG 142 Ca 0.00 -0.59 -0.25 0.00 -0.77 0.00 0.00 57.85 56.24 3gyr n ARG 142 Cb 0.00 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 29.98 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 1.44 -0.51 1.45 -0.13 0.00 -1.26 -2.18 105.19 103.99 3gyr n GLY 143 Ca 0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.56 3.05 3.76 -0.02 0.00 -1.26 -5.04 105.19 104.12 3gyr n GLY 144 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.08 2.84 0.24 1.61 1.01 -0.93 -4.98 120.40 118.12 3gyr s VAL 145 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 3gyr s VAL 145 Cb 0.00 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 3gyr s VAL 145 CO 0.00 0.16 1.27 -1.61 0.00 0.00 0.00 175.10 174.92 3gyr s GLU 146 N -1.17 4.42 0.08 2.72 0.41 -1.26 -4.83 118.70 119.07 3gyr s GLU 146 Ca 0.52 2.04 -0.35 0.00 -0.41 0.00 0.00 54.97 56.78 3gyr s GLU 146 Cb -0.39 -3.17 -0.14 0.00 -1.78 0.00 0.00 34.13 28.65 3gyr s GLU 146 CO 0.48 -0.16 1.57 -2.30 -0.49 0.00 0.00 175.26 174.36 3gyr n PRO 147 N 1.99 1.85 -1.67 0.39 -0.02 -1.26 -4.78 135.00 131.50 3gyr n PRO 147 Ca 0.04 0.67 -0.49 0.00 -2.02 0.00 0.00 63.50 61.69 3gyr n PRO 147 Cb 0.43 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.79 3.28 0.10 2.55 2.85 0.18 -4.90 115.26 123.12 3gyr n ASN 148 Ca 0.19 0.92 -0.02 0.00 -0.11 0.00 0.00 54.58 55.55 3gyr n ASN 148 Cb 0.25 -1.35 0.23 0.00 1.24 0.00 0.00 39.78 40.15 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 9.51 0.21 -0.05 1.20 1.79 -1.90 -2.66 116.57 124.68 3gyr h LYS 149 Ca -0.47 -0.10 -0.07 0.00 -2.18 0.00 0.00 60.65 57.83 3gyr h LYS 149 Cb 1.28 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 3gyr h LYS 149 CO 0.96 0.61 -0.30 -0.44 -1.08 0.00 0.00 179.45 179.20 3gyr h ASP 150 N 0.18 0.09 0.02 0.86 3.45 -1.98 -0.80 116.42 118.23 3gyr h ASP 150 Ca 0.01 -0.03 -0.10 0.00 0.43 0.00 0.00 57.03 57.34 3gyr h ASP 150 Cb 0.83 -0.02 0.01 0.00 -0.56 0.00 0.00 39.33 39.59 3gyr h ASP 150 CO 0.06 0.39 -0.42 0.58 -1.57 0.00 0.00 179.24 178.29 3gyr h VAL 151 N 0.08 1.52 -0.90 -1.35 2.07 -1.88 -3.20 116.25 112.59 3gyr h VAL 151 Ca 0.01 -2.09 0.26 0.00 0.82 0.00 0.00 66.70 65.70 3gyr h VAL 151 Cb 0.57 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 33.11 3gyr h VAL 151 CO 0.04 0.58 0.64 0.00 0.02 0.00 0.00 177.57 178.86 3gyr h ALA 152 N 0.24 2.81 -0.01 1.67 0.00 -1.31 0.16 119.26 122.82 3gyr h ALA 152 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gyr h ALA 152 Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3gyr h ALA 152 CO 0.08 -1.07 -0.13 0.00 0.00 0.00 0.00 179.25 178.13 3gyr n ALA 153 N -2.70 2.82 -1.73 0.00 0.00 -0.32 -4.45 120.51 114.12 3gyr n ALA 153 Ca 0.19 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 3gyr n ALA 153 Cb 0.95 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 3gyr n ALA 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gyr s LEU 154 N -2.37 4.40 0.72 0.00 1.43 0.04 -5.01 118.68 117.89 3gyr s LEU 154 Ca 0.30 2.73 -0.10 0.00 -1.03 0.00 0.00 54.13 56.03 3gyr s LEU 154 Cb 0.20 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.90 3gyr s LEU 154 CO 0.46 -0.99 1.09 -2.16 0.23 0.00 0.00 176.35 174.97 3gyr s PRO 155 N 2.75 2.49 -0.25 1.29 0.04 -1.26 -4.64 135.00 135.42 3gyr s PRO 155 Ca 0.80 0.18 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 3gyr s PRO 155 Cb -0.45 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 3gyr s PRO 155 CO 0.36 -1.20 1.57 0.00 0.04 0.00 0.00 177.00 177.77 3gyr s ALA 156 N -3.36 3.25 -0.22 8.56 0.00 -1.26 -4.95 121.76 123.77 3gyr s ALA 156 Ca 0.59 0.37 -0.04 0.00 0.00 0.00 0.00 51.96 52.88 3gyr s ALA 156 Cb -0.11 -3.86 0.09 0.00 0.00 0.00 0.00 23.12 19.24 3gyr s ALA 156 CO 0.49 -1.99 0.16 -0.46 0.00 0.00 0.00 175.76 173.95 3gyr s TRP 157 N 5.20 0.03 0.01 0.00 -0.00 -1.26 -4.14 118.94 118.79 3gyr s TRP 157 Ca 0.69 -0.30 0.00 0.00 -0.00 0.00 0.00 56.10 56.50 3gyr s TRP 157 Cb -0.23 -0.63 -0.01 0.00 -0.00 0.00 0.00 33.47 32.60 3gyr s TRP 157 CO 0.29 -0.66 -0.02 0.45 -0.00 0.00 0.00 176.95 177.01 3gyr s SER 158 N 2.20 0.22 -0.00 5.86 0.15 -0.67 -4.77 113.70 116.69 3gyr s SER 158 Ca 0.06 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.55 3gyr s SER 158 Cb -0.16 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 3gyr s SER 158 CO -0.19 -0.06 0.00 0.54 1.20 0.00 0.00 173.24 174.72 3gyr s VAL 159 N -0.42 0.01 -0.15 4.45 0.11 -1.26 -0.38 120.40 122.76 3gyr s VAL 159 Ca -0.04 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 58.99 3gyr s VAL 159 Cb -0.03 -0.03 -0.03 0.00 -1.53 0.00 0.00 36.38 34.76 3gyr s VAL 159 CO -0.00 0.01 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.87 3gyr s THR 160 N 0.10 4.09 -0.17 5.04 2.01 -1.26 0.09 115.64 125.55 3gyr s THR 160 Ca -0.01 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 3gyr s THR 160 Cb -0.01 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 3gyr s THR 160 CO -0.00 0.50 -0.11 -2.28 -0.69 0.00 0.00 174.62 172.04 3gyr s HIS 161 N 0.19 2.85 -0.77 4.92 5.04 0.23 -3.77 115.29 123.98 3gyr s HIS 161 Ca -0.01 -0.89 -0.23 0.00 -1.54 0.00 0.00 55.06 52.40 3gyr s HIS 161 Cb -0.13 -1.94 0.07 0.00 0.04 0.00 0.00 32.58 30.62 3gyr s HIS 161 CO 0.02 -0.41 1.11 -1.17 -2.34 0.00 0.00 174.74 171.95 3gyr s LEU 162 N 0.85 4.21 -0.08 8.88 2.96 -1.26 -2.09 118.68 132.15 3gyr s LEU 162 Ca -0.03 -1.17 -0.29 0.00 -0.22 0.00 0.00 54.13 52.42 3gyr s LEU 162 Cb -0.15 -2.46 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 3gyr s LEU 162 CO 0.00 -1.44 1.72 -2.28 -1.32 0.00 0.00 176.35 173.03 3gyr s HIS 163 N 4.17 1.86 0.00 5.38 5.65 0.26 -2.25 115.29 130.37 3gyr s HIS 163 Ca 0.29 0.19 0.00 0.00 0.25 0.00 0.00 55.06 55.79 3gyr s HIS 163 Cb -0.11 -3.97 0.00 0.00 -1.18 0.00 0.00 32.58 27.32 3gyr s HIS 163 CO 0.05 -3.93 0.00 0.41 -0.65 0.00 0.00 174.74 170.62 3gyr n GLY 164 N 4.37 1.97 3.74 1.59 0.00 -1.26 -2.66 105.19 112.93 3gyr n GLY 164 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.42 3.47 -0.75 4.61 0.00 -0.95 -4.83 121.76 120.89 3gyr s ALA 165 Ca 0.00 1.00 -0.25 0.00 0.00 0.00 0.00 51.96 52.72 3gyr s ALA 165 Cb 0.00 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.73 3gyr s ALA 165 CO 0.00 -0.44 1.19 -1.14 0.00 0.00 0.00 175.76 175.37 3gyr s GLN 166 N -0.09 3.22 0.09 0.00 0.74 -1.26 -4.11 119.66 118.25 3gyr s GLN 166 Ca 0.55 -0.57 -0.23 0.00 0.05 0.00 0.00 55.36 55.16 3gyr s GLN 166 Cb -0.34 -4.34 0.06 0.00 1.10 0.00 0.00 33.01 29.49 3gyr s GLN 166 CO 0.37 -2.04 0.55 -0.08 -0.55 0.00 0.00 175.29 173.54 3gyr s THR 167 N 5.02 0.02 0.95 -0.34 -1.32 -1.26 -4.48 115.64 114.23 3gyr s THR 167 Ca 0.32 -0.18 -0.11 0.00 -1.21 0.00 0.00 61.69 60.51 3gyr s THR 167 Cb -0.10 -1.02 0.16 0.00 -1.51 0.00 0.00 72.50 70.03 3gyr s THR 167 CO 0.10 -0.10 1.10 -0.83 -2.21 0.00 0.00 174.62 172.68 3gyr s GLY 168 N -2.32 1.63 0.49 6.08 0.00 -1.26 -4.74 107.32 107.20 3gyr s GLY 168 Ca -0.02 0.18 0.20 0.00 0.00 0.00 0.00 44.72 45.08 3gyr s GLY 168 CO -0.06 0.68 2.07 -1.33 0.00 0.00 0.00 173.10 174.45 3gyr h GLY 169 N -1.84 0.00 2.00 0.20 0.00 -0.58 -1.25 103.07 101.61 3gyr h GLY 169 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3gyr h GLY 169 CO 0.49 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.64 3gyr n GLY 170 N -1.06 -1.04 0.00 4.60 0.00 -1.26 -2.55 105.19 103.89 3gyr n GLY 170 Ca -0.02 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.15 3gyr n GLY 170 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gyr n ASN 171 N -2.09 0.74 0.17 1.61 3.02 -0.49 -4.72 115.26 113.51 3gyr n ASN 171 Ca 0.01 -0.68 0.13 0.00 -0.03 0.00 0.00 54.58 54.02 3gyr n ASN 171 Cb 0.14 1.06 0.42 0.00 -0.61 0.00 0.00 39.78 40.79 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 0.00 0.00 -1.85 6.41 -0.00 -1.32 -3.44 116.42 116.22 3gyr h ASP 172 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3gyr h ASP 172 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.63 3gyr h ASP 172 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.85 3gyr n GLY 173 N 0.70 0.52 3.62 -0.78 0.00 -1.25 -4.09 105.19 103.91 3gyr n GLY 173 Ca 0.03 -0.51 -0.47 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.23 1.65 0.12 1.61 -0.00 -1.26 -4.67 117.44 113.67 3gyr n TRP 174 Ca 0.00 0.58 0.04 0.00 -0.00 0.00 0.00 57.50 58.11 3gyr n TRP 174 Cb 0.50 -2.35 0.44 0.00 -0.00 0.00 0.00 31.31 29.90 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 3.67 1.63 0.00 5.87 0.00 -1.96 -2.10 119.26 126.36 3gyr h ALA 175 Ca -0.44 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3gyr h ALA 175 Cb 1.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gyr h ALA 175 CO 0.72 0.28 0.00 -0.44 0.00 0.00 0.00 179.25 179.81 3gyr h ASP 176 N 0.25 0.00 -0.97 0.00 3.32 -1.89 -1.38 116.42 115.74 3gyr h ASP 176 Ca 0.06 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.47 3gyr h ASP 176 Cb 0.23 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.49 3gyr h ASP 176 CO 0.01 0.00 0.74 0.59 -1.72 0.00 0.00 179.24 178.85 3gyr n ASN 177 N -2.72 6.71 -4.76 6.45 5.03 -0.79 -4.93 115.26 120.25 3gyr n ASN 177 Ca 0.02 -3.75 -0.36 0.00 0.87 0.00 0.00 54.58 51.36 3gyr n ASN 177 Cb 0.34 -0.91 0.02 0.00 -1.02 0.00 0.00 39.78 38.20 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 -3.70 2.68 0.14 5.41 0.00 -1.25 -4.77 121.76 120.27 3gyr s ALA 178 Ca 0.62 0.95 0.09 0.00 0.00 0.00 0.00 51.96 53.62 3gyr s ALA 178 Cb 0.50 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 3gyr s ALA 178 CO 0.02 -0.95 -0.14 0.14 0.00 0.00 0.00 175.76 174.83 3gyr s VAL 179 N -1.64 3.04 0.81 0.00 -7.23 0.49 -4.71 120.40 111.16 3gyr s VAL 179 Ca 0.73 -1.56 -0.06 0.00 -1.81 0.00 0.00 61.98 59.28 3gyr s VAL 179 Cb -0.28 -2.45 0.16 0.00 0.56 0.00 0.00 36.38 34.37 3gyr s VAL 179 CO 0.32 0.01 1.12 -0.83 -0.31 0.00 0.00 175.10 175.40 3gyr s GLY 180 N -2.46 1.77 0.13 2.32 0.00 -1.26 -1.67 107.32 106.15 3gyr s GLY 180 Ca 0.21 -1.55 -0.35 0.00 0.00 0.00 0.00 44.72 43.04 3gyr s GLY 180 CO 0.13 -0.90 1.30 0.33 0.00 0.00 0.00 173.10 173.96 3gyr n PHE 181 N -3.19 1.53 0.00 1.90 7.35 -1.26 -1.66 117.46 122.13 3gyr n PHE 181 Ca 0.15 0.61 0.00 0.00 -0.76 0.00 0.00 57.45 57.46 3gyr n PHE 181 Cb 0.60 -2.34 0.00 0.00 0.35 0.00 0.00 39.48 38.10 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 2.40 3.10 3.98 7.13 0.00 0.48 -5.03 105.19 117.25 3gyr n GLY 182 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.27 6.16 0.19 1.61 1.01 -0.66 -4.89 116.67 119.82 3gyr s ASP 183 Ca 0.00 -0.04 0.10 0.00 0.71 0.00 0.00 52.55 53.32 3gyr s ASP 183 Cb 0.00 -1.59 -0.04 0.00 1.01 0.00 0.00 42.92 42.30 3gyr s ASP 183 CO 0.00 -0.22 -0.21 0.00 0.21 0.00 0.00 175.17 174.95 3gyr s ALA 184 N -2.06 2.31 -0.16 5.23 0.00 -1.26 -1.72 121.76 124.10 3gyr s ALA 184 Ca 0.39 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 3gyr s ALA 184 Cb -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 3gyr s ALA 184 CO 0.30 0.33 -0.10 -1.14 0.00 0.00 0.00 175.76 175.15 3gyr s GLN 185 N -2.77 3.40 -0.21 0.00 0.74 0.77 -4.95 119.66 116.65 3gyr s GLN 185 Ca 0.19 -0.66 -0.08 0.00 0.05 0.00 0.00 55.36 54.87 3gyr s GLN 185 Cb -0.07 -2.75 -0.04 0.00 1.10 0.00 0.00 33.01 31.25 3gyr s GLN 185 CO 0.09 0.11 0.07 -0.51 -0.55 0.00 0.00 175.29 174.50 3gyr s LEU 186 N 0.64 3.73 -0.06 3.68 1.43 -1.26 -0.50 118.68 126.35 3gyr s LEU 186 Ca -0.06 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 3gyr s LEU 186 Cb -0.15 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.11 3gyr s LEU 186 CO 0.03 0.11 -0.15 -0.44 0.23 0.00 0.00 176.35 176.12 3gyr s SER 187 N 0.78 2.01 -0.16 2.29 0.01 -0.31 -4.75 113.70 113.57 3gyr s SER 187 Ca 0.04 -0.34 -0.09 0.00 1.31 0.00 0.00 55.95 56.87 3gyr s SER 187 Cb -0.13 -0.78 -0.05 0.00 0.21 0.00 0.00 66.02 65.27 3gyr s SER 187 CO 0.02 0.09 0.15 -0.70 0.41 0.00 0.00 173.24 173.21 3gyr s GLU 188 N 0.38 3.89 -0.30 12.44 2.12 -1.26 -1.01 118.70 134.95 3gyr s GLU 188 Ca -0.11 -0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.10 3gyr s GLU 188 Cb -0.14 -3.32 0.09 0.00 0.26 0.00 0.00 34.13 31.01 3gyr s GLU 188 CO 0.04 0.50 0.00 0.71 -0.54 0.00 0.00 175.26 175.97 3gyr s TYR 189 N -0.23 3.25 0.43 5.30 2.02 -0.07 -4.79 117.35 123.27 3gyr s TYR 189 Ca 0.12 -2.55 0.26 0.00 -0.37 0.00 0.00 57.07 54.53 3gyr s TYR 189 Cb -0.12 -2.39 1.43 0.00 -0.40 0.00 0.00 41.96 40.49 3gyr s TYR 189 CO 0.01 -0.90 2.08 -1.35 -1.57 0.00 0.00 175.55 173.81 3gyr h PRO 190 N 7.74 0.00 -4.88 -1.71 0.11 -1.84 -2.39 132.00 129.03 3gyr h PRO 190 Ca -0.10 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.60 3gyr h PRO 190 Cb 1.03 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.22 3gyr h PRO 190 CO 0.49 0.12 -0.63 0.09 -0.21 0.00 0.00 178.00 177.85 3gyr n ASN 191 N -3.71 -6.21 -3.89 -2.05 5.03 -1.26 -4.03 115.26 99.14 3gyr n ASN 191 Ca -0.02 -0.36 -0.43 0.00 0.87 0.00 0.00 54.58 54.64 3gyr n ASN 191 Cb 0.23 -4.98 0.01 0.00 -1.02 0.00 0.00 39.78 34.02 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 -2.67 5.81 -3.64 6.41 4.64 -1.26 -0.13 116.55 125.71 3gyr n ASP 192 Ca -0.08 -3.25 -0.15 0.00 -1.38 0.00 0.00 54.79 49.93 3gyr n ASP 192 Cb 0.60 -1.38 -0.07 0.00 -1.04 0.00 0.00 41.12 39.22 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 -1.04 -0.48 0.71 -0.67 2.46 -1.26 -4.98 115.29 110.03 3gyr s HIS 193 Ca 0.37 0.90 -0.14 0.00 0.47 0.00 0.00 55.06 56.66 3gyr s HIS 193 Cb 0.09 0.26 0.03 0.00 -0.13 0.00 0.00 32.58 32.82 3gyr s HIS 193 CO 0.03 -0.46 1.15 1.14 -2.47 0.00 0.00 174.74 174.14 3gyr s GLN 194 N -0.92 2.36 0.06 2.88 -2.07 -1.26 -4.65 119.66 116.07 3gyr s GLN 194 Ca -0.10 1.55 -0.38 0.00 -1.82 0.00 0.00 55.36 54.62 3gyr s GLN 194 Cb -0.03 -1.88 -0.18 0.00 -1.09 0.00 0.00 33.01 29.83 3gyr s GLN 194 CO 0.06 -1.62 1.15 0.00 -1.32 0.00 0.00 175.29 173.56 3gyr n ALA 195 N -2.72 -2.41 -3.83 2.60 0.00 -1.26 -4.85 120.51 108.04 3gyr n ALA 195 Ca 0.12 0.55 -0.07 0.00 0.00 0.00 0.00 53.44 54.04 3gyr n ALA 195 Cb 0.51 -1.89 0.01 0.00 0.00 0.00 0.00 19.45 18.09 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 0.10 0.00 -0.35 0.00 -1.32 -0.97 -4.17 115.64 108.93 3gyr s THR 196 Ca 0.86 -0.86 -0.11 0.00 -1.21 0.00 0.00 61.69 60.36 3gyr s THR 196 Cb -1.10 -2.65 0.01 0.00 -1.51 0.00 0.00 72.50 67.24 3gyr s THR 196 CO 0.53 0.00 0.20 -1.58 -2.21 0.00 0.00 174.62 171.56 3gyr s GLN 197 N -2.63 3.15 0.47 7.08 0.74 -1.26 -1.40 119.66 125.80 3gyr s GLN 197 Ca 0.16 -0.86 0.08 0.00 0.05 0.00 0.00 55.36 54.79 3gyr s GLN 197 Cb -0.04 -3.71 0.03 0.00 1.10 0.00 0.00 33.01 30.38 3gyr s GLN 197 CO 0.08 -0.56 0.58 -1.58 -0.55 0.00 0.00 175.29 173.27 3gyr s TRP 198 N 1.62 2.33 0.12 1.67 0.51 0.52 -4.86 118.94 120.85 3gyr s TRP 198 Ca 0.04 -0.54 -0.13 0.00 -2.12 0.00 0.00 56.10 53.36 3gyr s TRP 198 Cb -0.18 -2.26 0.02 0.00 -0.81 0.00 0.00 33.47 30.23 3gyr s TRP 198 CO 0.08 -0.56 0.31 1.67 -0.51 0.00 0.00 176.95 177.93 3gyr s TRP 199 N -2.49 -0.01 0.06 -1.98 1.48 -1.09 -1.43 118.94 113.48 3gyr s TRP 199 Ca 0.54 -0.35 0.04 0.00 -1.06 0.00 0.00 56.10 55.27 3gyr s TRP 199 Cb -0.07 0.11 -0.03 0.00 -1.16 0.00 0.00 33.47 32.33 3gyr s TRP 199 CO 0.33 -0.65 -0.13 1.52 -4.06 0.00 0.00 176.95 173.96 3gyr s TYR 200 N -3.84 1.11 -0.02 1.66 -0.85 0.17 0.92 117.35 116.49 3gyr s TYR 200 Ca 0.05 -0.44 -0.29 0.00 -0.52 0.00 0.00 57.07 55.87 3gyr s TYR 200 Cb 0.03 -0.64 0.10 0.00 0.38 0.00 0.00 41.96 41.84 3gyr s TYR 200 CO -0.10 0.03 0.94 -3.38 -1.52 0.00 0.00 175.55 171.52 3gyr s HIS 201 N -1.18 -0.29 0.59 -3.49 -3.43 -0.89 -1.02 115.29 105.57 3gyr s HIS 201 Ca -0.03 0.16 -0.18 0.00 -0.80 0.00 0.00 55.06 54.21 3gyr s HIS 201 Cb -0.09 0.54 -0.06 0.00 -1.43 0.00 0.00 32.58 31.54 3gyr s HIS 201 CO 0.02 -0.52 0.80 -3.47 -2.00 0.00 0.00 174.74 169.57 3gyr n ASP 202 N -0.25 0.10 -0.52 7.38 -0.08 -1.06 -0.60 116.55 121.52 3gyr n ASP 202 Ca -0.07 0.78 0.00 0.00 -1.51 0.00 0.00 54.79 53.99 3gyr n ASP 202 Cb 0.61 -1.31 -0.00 0.00 2.34 0.00 0.00 41.12 42.76 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 -1.70 0.00 -1.69 -0.67 -0.00 0.11 -4.78 115.22 106.49 3gyr n HIS 203 Ca 0.13 -0.01 -0.44 0.00 0.46 0.00 0.00 57.72 57.86 3gyr n HIS 203 Cb 0.47 0.04 -0.04 0.00 -0.12 0.00 0.00 29.99 30.34 3gyr n HIS 203 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3gyr n ALA 204 N 0.01 2.09 -1.63 1.57 0.00 -1.26 -4.29 120.51 117.00 3gyr n ALA 204 Ca -0.00 0.38 -0.49 0.00 0.00 0.00 0.00 53.44 53.33 3gyr n ALA 204 Cb 0.65 -2.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.56 3gyr n ALA 204 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3gyr n MET 205 N 4.42 1.65 0.00 0.00 0.00 -0.52 -1.75 117.12 120.92 3gyr n MET 205 Ca 0.17 0.60 0.00 0.00 -0.00 0.00 0.00 57.70 58.47 3gyr n MET 205 Cb 0.33 -2.31 0.00 0.00 0.00 0.00 0.00 33.22 31.24 3gyr n MET 205 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3gyr n ASN 206 N 3.16 0.00 0.00 6.12 3.02 -1.26 -4.65 115.26 121.65 3gyr n ASN 206 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 3gyr n ASN 206 Cb 0.24 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 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 -1.88 0.60 -0.30 2.41 -5.35 -0.93 -4.76 119.36 109.15 3gyr n ILE 207 Ca 0.00 -0.65 0.25 0.00 -0.27 0.00 0.00 62.75 62.08 3gyr n ILE 207 Cb 0.00 0.75 0.58 0.00 -1.74 0.00 0.00 39.64 39.23 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 0.77 0.53 0.00 7.28 2.02 -1.61 -0.46 112.91 121.43 3gyr h THR 208 Ca 0.00 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 3gyr h THR 208 Cb 0.56 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3gyr h THR 208 CO 0.00 0.05 -0.29 0.08 0.37 0.00 0.00 175.52 175.73 3gyr h ARG 209 N 0.28 0.00 0.00 6.66 0.11 -1.86 -2.28 114.38 117.29 3gyr h ARG 209 Ca 0.55 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.47 3gyr h ARG 209 Cb 1.62 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.68 3gyr h ARG 209 CO -0.19 0.29 -0.88 -1.49 0.10 0.00 0.00 179.97 177.80 3gyr h TRP 210 N 0.00 0.00 -0.60 4.08 6.55 -1.48 -3.33 115.95 121.16 3gyr h TRP 210 Ca -0.00 0.00 0.12 0.00 0.95 0.00 0.00 58.89 59.96 3gyr h TRP 210 Cb 0.53 0.00 -0.10 0.00 -0.86 0.00 0.00 29.16 28.73 3gyr h TRP 210 CO 0.00 1.30 -0.01 -0.91 -1.05 0.00 0.00 178.44 177.77 3gyr h ASN 211 N -1.00 -0.29 -0.55 -3.49 4.21 -1.38 -1.05 115.58 112.03 3gyr h ASN 211 Ca -0.24 0.15 -0.04 0.00 1.21 0.00 0.00 56.30 57.38 3gyr h ASN 211 Cb 1.19 0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 38.64 3gyr h ASN 211 CO -0.15 -0.12 0.19 0.58 -1.29 0.00 0.00 177.43 176.65 3gyr h VAL 212 N 0.10 1.23 0.00 2.81 2.07 -1.63 -2.70 116.25 118.14 3gyr h VAL 212 Ca 0.31 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 3gyr h VAL 212 Cb 0.50 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3gyr h VAL 212 CO -0.52 0.28 -0.15 -0.03 0.02 0.00 0.00 177.57 177.17 3gyr h MET 213 N 0.75 0.00 0.00 1.57 1.85 -1.52 -1.11 114.93 116.48 3gyr h MET 213 Ca 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.27 3gyr h MET 213 Cb 0.25 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.28 3gyr h MET 213 CO -0.01 0.15 0.00 0.00 -0.40 0.00 0.00 176.91 176.65 3gyr h ALA 214 N 1.85 1.00 0.00 0.39 0.00 -0.86 -3.46 119.26 118.17 3gyr h ALA 214 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gyr h ALA 214 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3gyr h ALA 214 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3gyr n GLY 215 N -0.18 0.40 2.98 0.00 0.00 -0.43 -0.76 105.19 107.20 3gyr n GLY 215 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 6.32 -3.83 0.99 4.77 -1.14 -4.53 117.00 119.58 3gyr n LEU 216 Ca 0.00 -4.14 -0.11 0.00 -0.03 0.00 0.00 56.01 51.72 3gyr n LEU 216 Cb 0.00 -1.66 -0.09 0.00 -2.33 0.00 0.00 43.42 39.34 3gyr n LEU 216 CO 0.00 0.89 -0.09 -0.72 -1.33 0.00 0.00 177.39 176.14 3gyr s TYR 217 N 3.13 0.00 0.07 -1.77 -0.85 -1.26 -2.57 117.35 114.11 3gyr s TYR 217 Ca 0.48 -0.14 -0.27 0.00 -0.52 0.00 0.00 57.07 56.61 3gyr s TYR 217 Cb 0.11 -0.01 0.09 0.00 0.38 0.00 0.00 41.96 42.53 3gyr s TYR 217 CO -0.04 -0.40 1.05 0.20 -1.52 0.00 0.00 175.55 174.85 3gyr s GLY 218 N -1.81 -0.31 0.35 5.49 0.00 -0.19 0.10 107.32 110.95 3gyr s GLY 218 Ca -0.09 0.44 0.09 0.00 0.00 0.00 0.00 44.72 45.17 3gyr s GLY 218 CO -0.01 0.10 0.03 -1.08 0.00 0.00 0.00 173.10 172.13 3gyr s THR 219 N -2.99 2.53 -0.25 0.90 -1.32 -1.26 0.42 115.64 113.67 3gyr s THR 219 Ca 0.12 -1.94 -0.02 0.00 -1.21 0.00 0.00 61.69 58.63 3gyr s THR 219 Cb 0.00 -2.83 0.14 0.00 -1.51 0.00 0.00 72.50 68.30 3gyr s THR 219 CO -0.01 -0.16 0.39 -0.47 -2.21 0.00 0.00 174.62 172.16 3gyr s TYR 220 N -2.54 -0.88 -0.17 9.09 6.14 -0.51 -1.70 117.35 126.77 3gyr s TYR 220 Ca 0.36 0.85 -0.07 0.00 0.64 0.00 0.00 57.07 58.85 3gyr s TYR 220 Cb 0.01 0.04 -0.04 0.00 0.42 0.00 0.00 41.96 42.39 3gyr s TYR 220 CO 0.20 -0.75 0.06 -0.51 0.64 0.00 0.00 175.55 175.19 3gyr s LEU 221 N 2.56 3.85 -0.16 6.97 1.43 0.20 -0.36 118.68 133.18 3gyr s LEU 221 Ca 0.13 0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 53.29 3gyr s LEU 221 Cb -0.15 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3gyr s LEU 221 CO -0.17 0.22 0.05 -0.69 0.23 0.00 0.00 176.35 175.99 3gyr s VAL 222 N 0.10 4.73 0.09 -1.59 1.01 -0.50 -1.88 120.40 122.37 3gyr s VAL 222 Ca 0.05 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3gyr s VAL 222 Cb -0.12 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3gyr s VAL 222 CO 0.01 0.50 0.01 -0.13 0.00 0.00 0.00 175.10 175.49 3gyr s ARG 223 N 0.00 2.58 0.35 2.72 1.81 0.95 -2.30 118.95 125.06 3gyr s ARG 223 Ca 0.06 -0.82 0.02 0.00 -1.72 0.00 0.00 55.73 53.26 3gyr s ARG 223 Cb -0.12 -2.56 -0.01 0.00 -0.45 0.00 0.00 34.95 31.81 3gyr s ARG 223 CO 0.01 0.54 0.41 0.16 -0.68 0.00 0.00 175.30 175.74 3gyr s ASP 224 N -2.31 1.31 0.18 0.23 1.47 -1.26 -0.56 116.67 115.73 3gyr s ASP 224 Ca 0.26 -1.63 -0.01 0.00 1.18 0.00 0.00 52.55 52.35 3gyr s ASP 224 Cb -0.12 0.64 0.07 0.00 -0.34 0.00 0.00 42.92 43.17 3gyr s ASP 224 CO 0.19 -1.23 1.44 0.44 0.68 0.00 0.00 175.17 176.69 3gyr h ASP 225 N 2.09 0.48 0.27 2.11 3.45 -1.99 -2.18 116.42 120.65 3gyr h ASP 225 Ca -0.27 -0.31 -0.01 0.00 0.43 0.00 0.00 57.03 56.87 3gyr h ASP 225 Cb 1.24 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 3gyr h ASP 225 CO 0.37 1.04 -0.13 -0.08 -1.57 0.00 0.00 179.24 178.88 3gyr h GLU 226 N 0.28 -0.34 -0.40 3.56 4.81 -1.99 -1.18 114.58 119.31 3gyr h GLU 226 Ca -0.03 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3gyr h GLU 226 Cb 1.28 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 3gyr h GLU 226 CO 0.12 -0.17 0.20 1.49 -0.73 0.00 0.00 179.01 179.92 3gyr h GLU 227 N -0.44 0.39 -0.79 1.92 4.81 -1.98 -2.35 114.58 116.15 3gyr h GLU 227 Ca -0.04 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.32 3gyr h GLU 227 Cb 0.33 -0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.52 3gyr h GLU 227 CO 0.06 0.26 0.33 -0.44 -0.73 0.00 0.00 179.01 178.49 3gyr h ASP 228 N 0.40 0.31 0.41 1.04 3.32 -1.18 -1.08 116.42 119.64 3gyr h ASP 228 Ca 0.17 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3gyr h ASP 228 Cb 0.09 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3gyr h ASP 228 CO -0.13 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 3gyr n ALA 229 N -2.51 1.92 0.49 3.45 0.00 -0.46 -1.24 120.51 122.16 3gyr n ALA 229 Ca 0.16 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.65 3gyr n ALA 229 Cb 0.45 -1.29 0.38 0.00 0.00 0.00 0.00 19.45 19.00 3gyr n ALA 229 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gyr h LEU 230 N 0.00 0.00 -1.28 0.00 3.38 -1.16 -3.48 115.31 112.78 3gyr h LEU 230 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 3gyr h LEU 230 Cb 0.21 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.00 3gyr h LEU 230 CO 0.00 0.00 -0.77 0.61 0.09 0.00 0.00 178.44 178.37 3gyr n GLY 231 N 1.03 -0.43 3.74 0.83 0.00 -0.38 -4.95 105.19 105.03 3gyr n GLY 231 Ca 0.05 0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 -7.01 3.52 0.25 0.99 1.43 -1.26 -4.94 118.68 111.66 3gyr s LEU 232 Ca 0.38 2.46 -0.30 0.00 -1.03 0.00 0.00 54.13 55.64 3gyr s LEU 232 Cb -0.18 -4.60 -0.14 0.00 0.03 0.00 0.00 46.19 41.29 3gyr s LEU 232 CO 0.80 -1.94 1.11 -2.65 0.23 0.00 0.00 176.35 173.89 3gyr n PRO 233 N -2.05 1.41 -2.63 1.29 -0.02 -1.26 -4.97 135.00 126.76 3gyr n PRO 233 Ca 0.14 0.50 -0.06 0.00 -2.02 0.00 0.00 63.50 62.06 3gyr n PRO 233 Cb 0.49 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 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 1.54 -0.36 0.00 2.55 3.41 -1.26 -4.48 113.62 115.01 3gyr n SER 234 Ca 0.11 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.99 3gyr n SER 234 Cb 0.30 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 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 -0.22 3.78 0.58 5.00 0.00 -1.26 -1.01 105.19 112.06 3gyr n GLY 235 Ca 0.02 -0.01 0.40 0.00 0.00 0.00 0.00 46.02 46.42 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 0.03 -0.68 1.61 3.32 -2.03 -2.46 116.42 116.22 3gyr h ASP 236 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gyr h ASP 236 Cb 0.00 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 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 -4.15 2.63 -4.03 3.56 1.74 -0.18 -4.75 116.66 111.48 3gyr n ARG 237 Ca 0.31 -2.48 -0.34 0.00 -0.77 0.00 0.00 57.85 54.58 3gyr n ARG 237 Cb 1.45 -1.55 -0.15 0.00 -1.02 0.00 0.00 32.46 31.20 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 -1.12 2.95 -0.25 5.56 2.12 -0.93 -0.02 118.70 127.01 3gyr s GLU 238 Ca 0.46 -0.88 0.01 0.00 0.36 0.00 0.00 54.97 54.92 3gyr s GLU 238 Cb 0.24 -2.80 0.07 0.00 0.26 0.00 0.00 34.13 31.90 3gyr s GLU 238 CO 0.31 -0.29 -0.04 0.42 -0.54 0.00 0.00 175.26 175.11 3gyr s ILE 239 N 1.32 1.64 0.34 -3.70 1.01 0.82 -4.78 121.20 117.85 3gyr s ILE 239 Ca 0.03 -1.38 -0.29 0.00 0.00 0.00 0.00 60.65 59.01 3gyr s ILE 239 Cb -0.15 -1.93 -0.11 0.00 0.01 0.00 0.00 42.46 40.28 3gyr s ILE 239 CO -0.08 -0.17 1.52 -2.65 0.00 0.00 0.00 174.94 173.56 3gyr n PRO 240 N 4.61 2.66 -3.81 2.79 -0.02 -1.26 -1.90 135.00 138.07 3gyr n PRO 240 Ca -0.10 0.94 -0.29 0.00 -2.02 0.00 0.00 63.50 62.02 3gyr n PRO 240 Cb 0.43 -2.68 -0.16 0.00 -0.02 0.00 0.00 33.50 31.07 3gyr n PRO 240 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gyr s LEU 241 N -1.40 1.97 -0.42 2.45 1.43 -0.45 -4.86 118.68 117.40 3gyr s LEU 241 Ca 0.57 -1.14 -0.13 0.00 -1.03 0.00 0.00 54.13 52.41 3gyr s LEU 241 Cb -0.49 -0.88 0.05 0.00 0.03 0.00 0.00 46.19 44.90 3gyr s LEU 241 CO 0.58 -0.31 0.29 -0.76 0.23 0.00 0.00 176.35 176.38 3gyr s LEU 242 N 1.62 5.14 -0.12 1.79 1.02 -1.26 -1.22 118.68 125.66 3gyr s LEU 242 Ca -0.00 -1.19 -0.06 0.00 0.02 0.00 0.00 54.13 52.89 3gyr s LEU 242 Cb -0.18 -2.08 -0.04 0.00 0.02 0.00 0.00 46.19 43.91 3gyr s LEU 242 CO -0.11 -0.51 0.12 0.27 0.02 0.00 0.00 176.35 176.15 3gyr s ILE 243 N 1.57 5.38 -0.19 -0.59 -4.36 -0.61 -0.60 121.20 121.80 3gyr s ILE 243 Ca 0.03 0.16 -0.18 0.00 -0.26 0.00 0.00 60.65 60.40 3gyr s ILE 243 Cb -0.21 -3.34 0.05 0.00 1.25 0.00 0.00 42.46 40.21 3gyr s ILE 243 CO 0.06 0.62 0.51 0.00 0.24 0.00 0.00 174.94 176.36 3gyr s ALA 244 N -1.00 -1.25 0.28 2.27 0.00 0.51 0.18 121.76 122.75 3gyr s ALA 244 Ca 0.15 1.41 -0.16 0.00 0.00 0.00 0.00 51.96 53.36 3gyr s ALA 244 Cb -0.12 -0.81 -0.09 0.00 0.00 0.00 0.00 23.12 22.11 3gyr s ALA 244 CO 0.04 -0.24 0.72 0.16 0.00 0.00 0.00 175.76 176.44 3gyr s ASP 245 N 0.22 6.85 0.12 0.00 -4.77 -1.26 -0.02 116.67 117.81 3gyr s ASP 245 Ca -0.00 1.30 0.04 0.00 -3.30 0.00 0.00 52.55 50.59 3gyr s ASP 245 Cb -0.04 -2.38 -0.04 0.00 -1.09 0.00 0.00 42.92 39.38 3gyr s ASP 245 CO 0.01 -0.12 -0.10 -0.13 0.70 0.00 0.00 175.17 175.52 3gyr s ARG 246 N -2.65 0.94 0.26 2.11 1.81 0.65 -4.80 118.95 117.28 3gyr s ARG 246 Ca 0.50 -1.28 0.12 0.00 -1.72 0.00 0.00 55.73 53.35 3gyr s ARG 246 Cb -0.12 -0.58 -0.05 0.00 -0.45 0.00 0.00 34.95 33.75 3gyr s ARG 246 CO 0.19 0.08 -0.18 1.21 -0.68 0.00 0.00 175.30 175.91 3gyr s ASN 247 N -2.74 3.68 0.15 0.23 3.84 -1.25 -2.00 114.94 116.86 3gyr s ASN 247 Ca 0.10 -0.96 0.09 0.00 0.21 0.00 0.00 52.86 52.30 3gyr s ASN 247 Cb -0.01 -0.36 -0.04 0.00 -0.55 0.00 0.00 41.25 40.30 3gyr s ASN 247 CO 0.00 0.05 -0.19 -0.76 -2.79 0.00 0.00 177.10 173.41 3gyr s LEU 248 N -3.38 2.40 0.65 3.21 1.43 -1.26 -1.40 118.68 120.34 3gyr s LEU 248 Ca 0.29 -0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 52.49 3gyr s LEU 248 Cb -0.06 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.32 3gyr s LEU 248 CO 0.15 -0.00 0.99 -0.62 0.23 0.00 0.00 176.35 177.09 3gyr s ASP 249 N -2.49 5.33 0.12 2.29 -1.08 -0.08 -1.57 116.67 119.20 3gyr s ASP 249 Ca 0.14 0.77 0.07 0.00 -0.52 0.00 0.00 52.55 53.00 3gyr s ASP 249 Cb -0.07 -1.61 -0.04 0.00 -1.46 0.00 0.00 42.92 39.74 3gyr s ASP 249 CO 0.06 -1.29 -0.16 0.42 0.52 0.00 0.00 175.17 174.72 3gyr s THR 250 N -3.17 1.44 0.53 1.71 -4.23 -1.26 -1.78 115.64 108.88 3gyr s THR 250 Ca 0.57 -1.66 -0.09 0.00 -1.18 0.00 0.00 61.69 59.33 3gyr s THR 250 Cb -0.11 -1.51 0.13 0.00 1.34 0.00 0.00 72.50 72.35 3gyr s THR 250 CO 0.47 -0.31 0.59 0.47 -0.54 0.00 0.00 174.62 175.30 3gyr n ASP 251 N 0.70 -0.72 0.18 3.99 8.00 0.39 -4.83 116.55 124.26 3gyr n ASP 251 Ca -0.17 -1.03 0.06 0.00 0.71 0.00 0.00 54.79 54.36 3gyr n ASP 251 Cb 0.56 -0.49 0.21 0.00 -0.02 0.00 0.00 41.12 41.38 3gyr n ASP 251 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3gyr h GLU 252 N 0.00 0.00 -0.41 -1.24 4.81 -2.01 0.25 114.58 115.98 3gyr h GLU 252 Ca -0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3gyr h GLU 252 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3gyr h GLU 252 CO 0.14 0.35 0.00 -0.40 -0.73 0.00 0.00 179.01 178.37 3gyr n ASP 253 N -3.30 2.18 0.00 1.04 5.68 -1.26 -4.92 116.55 115.97 3gyr n ASP 253 Ca 0.01 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 3gyr n ASP 253 Cb 0.59 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 3gyr n ASP 253 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gyr n GLY 254 N 1.10 0.77 3.73 6.12 0.00 0.89 -5.05 105.19 112.76 3gyr n GLY 254 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 4.49 0.28 1.61 1.81 -1.25 -4.68 118.95 120.94 3gyr s ARG 255 Ca 0.00 1.85 -0.30 0.00 -1.72 0.00 0.00 55.73 55.56 3gyr s ARG 255 Cb 0.00 -3.26 -0.11 0.00 -0.45 0.00 0.00 34.95 31.13 3gyr s ARG 255 CO 0.00 -0.10 1.59 -0.51 -0.68 0.00 0.00 175.30 175.60 3gyr s LEU 256 N -0.03 4.35 0.00 2.53 1.43 -1.26 0.15 118.68 125.84 3gyr s LEU 256 Ca 0.54 2.93 0.01 0.00 -1.03 0.00 0.00 54.13 56.57 3gyr s LEU 256 Cb -0.32 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.29 3gyr s LEU 256 CO 0.35 -0.91 0.77 -0.46 0.23 0.00 0.00 176.35 176.33 3gyr n ASN 257 N 2.32 1.56 0.00 2.29 0.23 -0.73 -4.81 115.26 116.12 3gyr n ASN 257 Ca 0.09 -1.49 0.00 0.00 -0.53 0.00 0.00 54.58 52.64 3gyr n ASN 257 Cb 0.37 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 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 -0.15 1.66 3.72 4.83 0.00 -1.26 -4.66 105.19 109.33 3gyr n GLY 258 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.27 4.60 0.16 1.61 0.52 -1.26 -4.51 118.95 119.79 3gyr s ARG 259 Ca 0.00 1.50 -0.31 0.00 -0.52 0.00 0.00 55.73 56.39 3gyr s ARG 259 Cb 0.00 -3.40 -0.11 0.00 0.52 0.00 0.00 34.95 31.96 3gyr s ARG 259 CO 0.00 0.03 1.80 1.28 0.02 0.00 0.00 175.30 178.43 3gyr n LEU 260 N 3.38 4.06 -3.89 2.53 4.77 -1.26 -0.90 117.00 125.68 3gyr n LEU 260 Ca 0.05 1.01 -0.30 0.00 -0.03 0.00 0.00 56.01 56.74 3gyr n LEU 260 Cb 0.49 -1.56 -0.16 0.00 -2.33 0.00 0.00 43.42 39.87 3gyr n LEU 260 CO 0.52 0.19 -0.40 -0.22 -1.33 0.00 0.00 177.39 176.16 3gyr s LEU 261 N 2.15 2.50 -0.86 2.23 2.96 -0.49 -0.65 118.68 126.52 3gyr s LEU 261 Ca 0.79 -1.25 -0.21 0.00 -0.22 0.00 0.00 54.13 53.24 3gyr s LEU 261 Cb -0.48 -1.10 0.09 0.00 0.50 0.00 0.00 46.19 45.20 3gyr s LEU 261 CO 0.35 -0.27 1.16 -2.28 -1.32 0.00 0.00 176.35 173.98 3gyr s HIS 262 N 1.45 2.81 -0.27 5.38 5.65 0.20 -3.77 115.29 126.74 3gyr s HIS 262 Ca -0.02 -0.94 -0.05 0.00 0.25 0.00 0.00 55.06 54.30 3gyr s HIS 262 Cb -0.18 -4.40 0.02 0.00 -1.18 0.00 0.00 32.58 26.83 3gyr s HIS 262 CO -0.09 -1.67 0.02 0.21 -0.65 0.00 0.00 174.74 172.56 3gyr s LYS 263 N 3.77 2.99 0.31 2.88 2.20 -1.26 -2.07 119.74 128.57 3gyr s LYS 263 Ca 0.33 -0.90 0.09 0.00 -0.36 0.00 0.00 55.97 55.13 3gyr s LYS 263 Cb -0.07 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 3gyr s LYS 263 CO -0.02 -0.42 0.05 0.95 -0.36 0.00 0.00 175.35 175.55 3gyr s THR 264 N 1.43 3.06 -0.07 3.43 -4.23 -0.69 -4.54 115.64 114.03 3gyr s THR 264 Ca 0.02 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 58.69 3gyr s THR 264 Cb -0.17 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 3gyr s THR 264 CO -0.01 -0.26 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.01 3gyr s VAL 265 N -2.42 3.27 -0.25 2.29 1.01 -1.26 -0.67 120.40 122.37 3gyr s VAL 265 Ca 0.35 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 3gyr s VAL 265 Cb -0.03 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3gyr s VAL 265 CO 0.21 0.58 0.81 -0.63 0.00 0.00 0.00 175.10 176.07 3gyr s ILE 266 N -0.57 4.84 -0.57 2.22 1.01 -0.16 -1.34 121.20 126.63 3gyr s ILE 266 Ca 0.08 1.49 0.21 0.00 0.00 0.00 0.00 60.65 62.44 3gyr s ILE 266 Cb -0.12 -4.11 -0.27 0.00 0.01 0.00 0.00 42.46 37.98 3gyr s ILE 266 CO 0.01 -0.09 0.70 1.33 0.00 0.00 0.00 174.94 176.90 3gyr n VAL 267 N 5.29 0.00 -3.56 2.92 0.24 -0.18 -3.76 118.33 119.28 3gyr n VAL 267 Ca 0.05 -0.22 -0.20 0.00 -2.04 0.00 0.00 64.34 61.93 3gyr n VAL 267 Cb 0.48 0.58 -0.15 0.00 -1.47 0.00 0.00 33.84 33.28 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 -3.18 0.12 0.15 7.34 0.74 -0.98 -5.01 119.66 118.83 3gyr s GLN 268 Ca 0.01 0.19 -0.15 0.00 0.05 0.00 0.00 55.36 55.46 3gyr s GLN 268 Cb 0.15 -1.21 0.02 0.00 1.10 0.00 0.00 33.01 33.07 3gyr s GLN 268 CO 0.87 -0.59 1.72 0.37 -0.55 0.00 0.00 175.29 177.11 3gyr h GLN 269 N 8.36 0.67 -3.36 1.67 5.75 -1.88 0.47 115.11 126.78 3gyr h GLN 269 Ca -0.16 -0.11 -0.38 0.00 -0.15 0.00 0.00 58.65 57.86 3gyr h GLN 269 Cb 1.14 -0.12 -0.39 0.00 1.07 0.00 0.00 27.48 29.19 3gyr h GLN 269 CO 0.26 0.58 -0.74 0.45 -2.65 0.00 0.00 178.83 176.72 3gyr s SER 270 N -5.86 1.19 -0.09 -0.69 0.15 -1.26 -3.23 113.70 103.91 3gyr s SER 270 Ca -0.13 0.06 -0.27 0.00 0.70 0.00 0.00 55.95 56.31 3gyr s SER 270 Cb 0.11 -0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 3gyr s SER 270 CO 0.76 -0.24 0.86 0.21 1.20 0.00 0.00 173.24 176.02 3gyr s ASN 271 N 2.14 7.11 0.28 5.45 2.47 -0.64 -4.95 114.94 126.80 3gyr s ASN 271 Ca 0.05 1.35 0.02 0.00 0.42 0.00 0.00 52.86 54.70 3gyr s ASN 271 Cb -0.12 -2.49 0.65 0.00 -1.45 0.00 0.00 41.25 37.84 3gyr s ASN 271 CO -0.03 -0.29 1.72 -0.65 -3.72 0.00 0.00 177.10 174.12 3gyr h PRO 272 N 7.00 0.44 -0.09 0.43 0.11 -1.92 -2.78 132.00 135.18 3gyr h PRO 272 Ca -0.36 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.54 3gyr h PRO 272 Cb 1.17 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.20 3gyr h PRO 272 CO 0.79 0.29 -0.66 0.93 -0.21 0.00 0.00 178.00 179.14 3gyr h GLU 273 N 0.46 0.61 0.00 1.05 5.08 -1.93 -3.46 114.58 116.39 3gyr h GLU 273 Ca 0.52 -0.54 -0.55 0.00 -1.00 0.00 0.00 59.36 57.79 3gyr h GLU 273 Cb 0.91 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 3gyr h GLU 273 CO -0.48 1.15 -0.24 0.25 -1.00 0.00 0.00 179.01 178.70 3gyr n THR 274 N -4.10 0.00 -0.09 1.13 -2.24 -1.05 -5.02 114.28 102.92 3gyr n THR 274 Ca -0.09 -2.09 -0.05 0.00 -2.27 0.00 0.00 64.05 59.56 3gyr n THR 274 Cb 0.69 -0.11 0.16 0.00 -2.10 0.00 0.00 70.33 68.97 3gyr n THR 274 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gyr h GLY 275 N 0.56 0.80 -1.85 3.38 0.00 -1.89 -3.35 103.07 100.72 3gyr h GLY 275 Ca -0.33 -0.57 -0.46 0.00 0.00 0.00 0.00 47.33 45.97 3gyr h GLY 275 CO 0.51 0.53 0.36 0.54 0.00 0.00 0.00 176.54 178.48 3gyr s LYS 276 N -4.86 4.03 0.91 4.80 -0.14 -1.26 -3.70 119.74 119.52 3gyr s LYS 276 Ca -0.09 1.01 -0.11 0.00 -1.36 0.00 0.00 55.97 55.43 3gyr s LYS 276 Cb 0.14 -2.15 0.14 0.00 -1.68 0.00 0.00 37.83 34.28 3gyr s LYS 276 CO 0.81 -0.20 1.12 -1.25 -0.76 0.00 0.00 175.35 175.07 3gyr s PRO 277 N -3.79 1.10 -0.08 -1.68 0.04 -1.20 -1.61 135.00 127.78 3gyr s PRO 277 Ca 0.60 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.99 3gyr s PRO 277 Cb -0.10 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.71 3gyr s PRO 277 CO 0.26 -2.50 -0.09 0.08 0.04 0.00 0.00 177.00 174.78 3gyr s VAL 278 N -2.71 0.99 0.26 -0.36 1.01 0.15 -4.89 120.40 114.86 3gyr s VAL 278 Ca 0.65 -0.34 0.11 0.00 0.00 0.00 0.00 61.98 62.40 3gyr s VAL 278 Cb -0.21 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 3gyr s VAL 278 CO 0.58 0.34 -0.19 -0.94 0.00 0.00 0.00 175.10 174.89 3gyr s SER 279 N 1.12 3.33 0.80 3.32 1.04 -1.26 -1.01 113.70 121.03 3gyr s SER 279 Ca -0.06 -1.02 -0.10 0.00 0.48 0.00 0.00 55.95 55.24 3gyr s SER 279 Cb -0.14 -0.26 0.10 0.00 0.10 0.00 0.00 66.02 65.82 3gyr s SER 279 CO -0.01 -0.01 1.14 0.27 0.98 0.00 0.00 173.24 175.61 3gyr s ILE 280 N -2.58 2.10 1.19 -1.02 -4.36 -0.45 -4.91 121.20 111.17 3gyr s ILE 280 Ca 0.28 -0.12 -0.19 0.00 -0.26 0.00 0.00 60.65 60.36 3gyr s ILE 280 Cb -0.04 -2.98 0.28 0.00 1.25 0.00 0.00 42.46 40.97 3gyr s ILE 280 CO 0.13 0.00 1.10 -2.84 0.24 0.00 0.00 174.94 173.56 3gyr s PRO 281 N -5.51 -1.15 -0.02 0.37 0.02 -1.26 -4.49 135.00 122.96 3gyr s PRO 281 Ca 0.64 0.02 -0.24 0.00 0.02 0.00 0.00 61.00 61.44 3gyr s PRO 281 Cb -0.09 -1.60 -0.04 0.00 0.02 0.00 0.00 34.50 32.79 3gyr s PRO 281 CO 0.48 -3.68 0.74 0.12 -0.33 0.00 0.00 177.00 174.33 3gyr s PHE 282 N -2.95 3.64 -0.01 6.54 5.36 -1.26 -4.73 117.98 124.56 3gyr s PHE 282 Ca 0.70 1.36 -0.00 0.00 -0.96 0.00 0.00 56.93 58.03 3gyr s PHE 282 Cb -0.11 -2.83 0.01 0.00 -0.34 0.00 0.00 43.02 39.75 3gyr s PHE 282 CO 0.56 0.15 0.02 -0.06 -1.46 0.00 0.00 175.22 174.43 3gyr s PHE 283 N 0.51 -0.01 0.10 10.12 0.08 -1.26 -3.98 117.98 123.54 3gyr s PHE 283 Ca 0.39 0.06 0.02 0.00 0.12 0.00 0.00 56.93 57.52 3gyr s PHE 283 Cb -0.19 -0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.19 3gyr s PHE 283 CO 0.21 -0.02 -0.07 0.20 -0.10 0.00 0.00 175.22 175.43 3gyr s GLY 284 N 0.19 0.78 0.37 4.36 0.00 -1.26 -4.75 107.32 107.02 3gyr s GLY 284 Ca -0.02 -1.34 0.24 0.00 0.00 0.00 0.00 44.72 43.61 3gyr s GLY 284 CO -0.01 -1.44 1.62 -0.56 0.00 0.00 0.00 173.10 172.71 3gyr h PRO 285 N 3.02 0.00 -5.48 2.90 0.13 -1.66 -3.41 132.00 127.51 3gyr h PRO 285 Ca -0.35 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.17 3gyr h PRO 285 Cb 1.17 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 3gyr h PRO 285 CO 0.63 0.00 -0.41 0.71 -0.23 0.00 0.00 178.00 178.71 3gyr s TYR 286 N -3.19 3.49 -0.27 1.56 1.51 -0.84 -4.47 117.35 115.13 3gyr s TYR 286 Ca 0.07 0.51 -0.10 0.00 -1.01 0.00 0.00 57.07 56.55 3gyr s TYR 286 Cb 0.07 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 3gyr s TYR 286 CO 0.66 0.39 0.15 0.99 -1.11 0.00 0.00 175.55 176.63 3gyr s THR 287 N 0.02 4.93 -0.09 -0.71 2.01 -1.26 -0.25 115.64 120.29 3gyr s THR 287 Ca 0.14 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.02 3gyr s THR 287 Cb -0.12 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 3gyr s THR 287 CO 0.02 0.26 0.29 0.42 -0.69 0.00 0.00 174.62 174.92 3gyr s THR 288 N 1.70 5.26 -0.19 -0.82 -4.23 0.97 -2.00 115.64 116.33 3gyr s THR 288 Ca 0.07 0.56 0.01 0.00 -1.18 0.00 0.00 61.69 61.14 3gyr s THR 288 Cb -0.16 -3.59 0.04 0.00 1.34 0.00 0.00 72.50 70.13 3gyr s THR 288 CO 0.08 0.53 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.89 3gyr s VAL 289 N -0.53 1.60 -1.51 2.29 1.01 0.85 -0.36 120.40 123.74 3gyr s VAL 289 Ca 0.19 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 3gyr s VAL 289 Cb -0.14 -1.66 0.08 0.00 0.00 0.00 0.00 36.38 34.65 3gyr s VAL 289 CO 0.07 0.20 0.99 0.59 0.00 0.00 0.00 175.10 176.95 3gyr n ASN 290 N 4.71 -5.03 -0.01 3.32 3.02 0.23 -1.69 115.26 119.81 3gyr n ASN 290 Ca -0.15 -0.73 -0.00 0.00 -0.03 0.00 0.00 54.58 53.67 3gyr n ASN 290 Cb 0.47 -4.01 -0.00 0.00 -0.61 0.00 0.00 39.78 35.63 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 -1.71 0.47 3.19 7.41 0.00 -1.26 -4.43 105.19 108.86 3gyr n GLY 291 Ca 0.04 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.44 2.09 -0.10 1.61 0.52 -0.68 -4.52 118.95 117.42 3gyr s ARG 292 Ca 0.00 -0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 54.19 3gyr s ARG 292 Cb 0.00 -1.79 -0.05 0.00 0.52 0.00 0.00 34.95 33.63 3gyr s ARG 292 CO 0.00 0.30 1.64 0.42 0.02 0.00 0.00 175.30 177.69 3gyr s ILE 293 N -0.05 3.62 -1.14 1.52 1.01 -0.37 -0.11 121.20 125.68 3gyr s ILE 293 Ca -0.04 0.74 -0.15 0.00 0.00 0.00 0.00 60.65 61.21 3gyr s ILE 293 Cb -0.12 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 3gyr s ILE 293 CO 0.03 -0.12 0.81 0.79 0.00 0.00 0.00 174.94 176.45 3gyr n TRP 294 N 7.56 -2.04 -1.66 3.97 8.01 -0.85 -4.73 117.44 127.70 3gyr n TRP 294 Ca 0.18 0.60 -0.30 0.00 -1.31 0.00 0.00 57.50 56.67 3gyr n TRP 294 Cb 0.43 -3.72 0.09 0.00 -2.01 0.00 0.00 31.31 26.10 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 -5.59 2.12 0.13 -0.99 0.04 -1.26 -0.78 135.00 128.67 3gyr s PRO 295 Ca 0.41 0.51 0.07 0.00 0.04 0.00 0.00 61.00 62.03 3gyr s PRO 295 Cb -0.12 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3gyr s PRO 295 CO 0.83 -1.56 -0.06 1.52 0.04 0.00 0.00 177.00 177.76 3gyr s TYR 296 N -3.25 2.78 -0.10 0.56 -0.85 -0.54 -2.06 117.35 113.88 3gyr s TYR 296 Ca 0.61 -0.14 0.03 0.00 -0.52 0.00 0.00 57.07 57.04 3gyr s TYR 296 Cb -0.13 -1.42 0.01 0.00 0.38 0.00 0.00 41.96 40.80 3gyr s TYR 296 CO 0.53 0.47 -0.19 0.00 -1.52 0.00 0.00 175.55 174.84 3gyr s ALA 297 N -1.40 1.88 -0.17 9.51 0.00 0.22 0.13 121.76 131.93 3gyr s ALA 297 Ca 0.24 -0.82 -0.27 0.00 0.00 0.00 0.00 51.96 51.11 3gyr s ALA 297 Cb -0.10 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3gyr s ALA 297 CO 0.16 0.11 0.91 -0.51 0.00 0.00 0.00 175.76 176.42 3gyr s ASP 298 N 0.65 7.04 0.20 0.00 1.01 -1.26 -0.54 116.67 123.76 3gyr s ASP 298 Ca -0.13 1.28 0.04 0.00 0.71 0.00 0.00 52.55 54.45 3gyr s ASP 298 Cb -0.16 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 3gyr s ASP 298 CO 0.03 -0.47 -0.04 0.68 0.21 0.00 0.00 175.17 175.58 3gyr s VAL 299 N 2.36 1.08 0.57 -1.27 -7.23 -0.03 -4.93 120.40 110.95 3gyr s VAL 299 Ca 0.41 -2.05 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 3gyr s VAL 299 Cb -0.17 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.66 3gyr s VAL 299 CO 0.12 -0.49 0.83 -1.81 -0.31 0.00 0.00 175.10 173.44 3gyr s ASP 300 N -3.25 5.39 -1.50 4.85 1.01 -1.26 -0.90 116.67 121.01 3gyr s ASP 300 Ca 0.24 0.34 -0.12 0.00 0.71 0.00 0.00 52.55 53.72 3gyr s ASP 300 Cb 0.04 -1.29 -0.02 0.00 1.01 0.00 0.00 42.92 42.66 3gyr s ASP 300 CO 0.05 -1.11 2.53 -0.90 0.21 0.00 0.00 175.17 175.95 3gyr n ASP 301 N -2.46 5.89 -1.97 0.27 5.75 -0.80 -4.72 116.55 118.51 3gyr n ASP 301 Ca 0.05 -2.71 -0.08 0.00 -0.01 0.00 0.00 54.79 52.04 3gyr n ASP 301 Cb 0.59 -1.60 -0.03 0.00 -1.03 0.00 0.00 41.12 39.05 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 3.89 3.23 3.73 6.12 0.00 -1.25 -4.10 105.19 116.81 3gyr n GLY 302 Ca 0.63 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.11 3.64 0.11 1.61 0.52 -1.26 -1.78 118.94 118.67 3gyr s TRP 303 Ca 0.16 1.63 0.07 0.00 0.02 0.00 0.00 56.10 57.99 3gyr s TRP 303 Cb 0.00 -3.23 -0.04 0.00 -1.15 0.00 0.00 33.47 29.06 3gyr s TRP 303 CO 0.12 -0.46 -0.18 0.71 0.02 0.00 0.00 176.95 177.16 3gyr s TYR 304 N -0.12 1.64 -0.12 -1.98 1.51 -0.11 -4.82 117.35 113.34 3gyr s TYR 304 Ca 0.49 -0.46 0.02 0.00 -1.01 0.00 0.00 57.07 56.12 3gyr s TYR 304 Cb -0.28 -0.87 -0.00 0.00 -0.11 0.00 0.00 41.96 40.69 3gyr s TYR 304 CO 0.33 0.20 -0.20 0.50 -1.11 0.00 0.00 175.55 175.28 3gyr s ARG 305 N -2.20 3.15 -0.14 -0.62 3.52 0.97 -1.15 118.95 122.48 3gyr s ARG 305 Ca 0.07 -0.81 0.01 0.00 -0.13 0.00 0.00 55.73 54.87 3gyr s ARG 305 Cb -0.08 -2.46 -0.01 0.00 -1.56 0.00 0.00 34.95 30.84 3gyr s ARG 305 CO 0.04 0.13 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.00 3gyr s LEU 306 N 0.50 2.51 -0.93 -0.88 1.43 0.98 -0.13 118.68 122.17 3gyr s LEU 306 Ca -0.13 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 3gyr s LEU 306 Cb -0.17 -1.56 0.24 0.00 0.03 0.00 0.00 46.19 44.73 3gyr s LEU 306 CO 0.05 0.12 0.88 -0.13 0.23 0.00 0.00 176.35 177.49 3gyr s ARG 307 N 0.63 3.77 -0.11 1.70 1.81 -0.80 -0.76 118.95 125.19 3gyr s ARG 307 Ca -0.08 -2.77 -0.21 0.00 -1.72 0.00 0.00 55.73 50.95 3gyr s ARG 307 Cb -0.16 -4.43 -0.04 0.00 -0.45 0.00 0.00 34.95 29.88 3gyr s ARG 307 CO 0.03 -1.27 0.59 -1.17 -0.68 0.00 0.00 175.30 172.80 3gyr s LEU 308 N -0.42 4.27 -0.02 2.53 2.96 -0.20 -1.34 118.68 126.46 3gyr s LEU 308 Ca 0.23 0.96 0.03 0.00 -0.22 0.00 0.00 54.13 55.13 3gyr s LEU 308 Cb -0.10 -2.89 -0.00 0.00 0.50 0.00 0.00 46.19 43.70 3gyr s LEU 308 CO -0.09 -0.10 -0.10 0.54 -1.32 0.00 0.00 176.35 175.28 3gyr s VAL 309 N 0.95 0.87 -0.49 1.68 0.11 -0.35 -0.31 120.40 122.86 3gyr s VAL 309 Ca 0.31 -0.43 -0.23 0.00 -2.93 0.00 0.00 61.98 58.70 3gyr s VAL 309 Cb -0.16 -0.75 0.03 0.00 -1.53 0.00 0.00 36.38 33.97 3gyr s VAL 309 CO 0.13 0.26 0.80 0.21 -3.33 0.00 0.00 175.10 173.17 3gyr s ASN 310 N -0.00 6.36 -0.19 3.54 3.84 -1.20 -1.57 114.94 125.72 3gyr s ASN 310 Ca -0.00 -0.30 0.13 0.00 0.21 0.00 0.00 52.86 52.89 3gyr s ASN 310 Cb -0.07 -2.38 0.71 0.00 -0.55 0.00 0.00 41.25 38.95 3gyr s ASN 310 CO 0.00 -1.00 1.58 0.00 -2.79 0.00 0.00 177.10 174.89 3gyr n ALA 311 N 6.84 3.63 -1.58 1.71 0.00 0.13 -0.92 120.51 130.32 3gyr n ALA 311 Ca 0.01 -1.63 -0.32 0.00 0.00 0.00 0.00 53.44 51.50 3gyr n ALA 311 Cb 0.48 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.69 5.47 0.19 0.00 0.01 -1.24 -4.88 113.70 112.55 3gyr s SER 312 Ca 0.47 1.79 -0.12 0.00 1.31 0.00 0.00 55.95 59.40 3gyr s SER 312 Cb 0.35 -2.52 0.11 0.00 0.21 0.00 0.00 66.02 64.17 3gyr s SER 312 CO 0.15 -1.38 1.84 0.78 0.41 0.00 0.00 173.24 175.04 3gyr h ASN 313 N -0.06 0.75 0.00 2.44 4.21 -1.87 -3.42 115.58 117.64 3gyr h ASN 313 Ca -0.46 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.01 3gyr h ASN 313 Cb 1.22 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 38.23 3gyr h ASN 313 CO 0.56 0.57 0.00 0.00 -1.29 0.00 0.00 177.43 177.27 3gyr n ALA 314 N -2.29 0.00 -1.97 -0.83 0.00 -1.26 -1.02 120.51 113.14 3gyr n ALA 314 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 3gyr n ALA 314 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 3gyr n ALA 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3gyr s ARG 315 N 0.00 4.50 -0.30 0.00 3.52 -1.26 -4.76 118.95 120.65 3gyr s ARG 315 Ca 0.00 1.91 -0.17 0.00 -0.13 0.00 0.00 55.73 57.34 3gyr s ARG 315 Cb 0.00 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 3gyr s ARG 315 CO 0.00 -0.06 0.45 0.42 -0.81 0.00 0.00 175.30 175.30 3gyr s ILE 316 N -0.32 5.10 -0.25 4.11 1.01 -1.26 -3.95 121.20 125.65 3gyr s ILE 316 Ca 0.51 0.54 -0.24 0.00 0.00 0.00 0.00 60.65 61.47 3gyr s ILE 316 Cb -0.33 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 3gyr s ILE 316 CO 0.39 0.01 0.81 -0.31 0.00 0.00 0.00 174.94 175.84 3gyr s TYR 317 N 2.22 3.30 -0.82 3.97 2.02 -0.53 -4.88 117.35 122.64 3gyr s TYR 317 Ca 0.17 1.08 -0.14 0.00 -0.37 0.00 0.00 57.07 57.82 3gyr s TYR 317 Cb -0.16 -3.06 0.21 0.00 -0.40 0.00 0.00 41.96 38.56 3gyr s TYR 317 CO 0.11 -0.41 0.77 -0.80 -1.57 0.00 0.00 175.55 173.65 3gyr s ASN 318 N 1.38 6.74 0.08 2.29 -0.87 -1.26 0.75 114.94 124.05 3gyr s ASN 318 Ca 0.34 -2.63 -0.20 0.00 -1.57 0.00 0.00 52.86 48.80 3gyr s ASN 318 Cb -0.15 -2.22 -0.07 0.00 -0.02 0.00 0.00 41.25 38.79 3gyr s ASN 318 CO 0.08 -0.61 0.60 -0.76 -2.57 0.00 0.00 177.10 173.84 3gyr s LEU 319 N 0.33 4.53 -0.03 0.60 1.43 0.43 -0.62 118.68 125.36 3gyr s LEU 319 Ca 0.18 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.60 3gyr s LEU 319 Cb -0.11 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.18 3gyr s LEU 319 CO -0.08 0.26 -0.05 -0.69 0.23 0.00 0.00 176.35 176.01 3gyr s VAL 320 N -1.05 0.50 -0.30 -1.59 1.01 -0.18 -1.30 120.40 117.48 3gyr s VAL 320 Ca 0.30 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 3gyr s VAL 320 Cb -0.20 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3gyr s VAL 320 CO 0.20 0.19 0.68 -0.22 0.00 0.00 0.00 175.10 175.94 3gyr s LEU 321 N 0.53 4.12 0.17 3.92 2.96 -1.26 -1.00 118.68 128.13 3gyr s LEU 321 Ca -0.07 0.52 0.10 0.00 -0.22 0.00 0.00 54.13 54.46 3gyr s LEU 321 Cb -0.10 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 3gyr s LEU 321 CO -0.00 -0.51 -0.22 0.27 -1.32 0.00 0.00 176.35 174.57 3gyr s ILE 322 N 2.70 2.09 0.28 6.68 -4.36 0.24 -0.37 121.20 128.46 3gyr s ILE 322 Ca 0.27 -1.92 0.03 0.00 -0.26 0.00 0.00 60.65 58.77 3gyr s ILE 322 Cb -0.15 -1.96 0.05 0.00 1.25 0.00 0.00 42.46 41.66 3gyr s ILE 322 CO 0.12 -0.17 0.39 -0.90 0.24 0.00 0.00 174.94 174.61 3gyr n ASP 323 N 0.40 0.79 0.29 4.36 5.68 0.00 -0.34 116.55 127.74 3gyr n ASP 323 Ca -0.14 -1.60 0.17 0.00 -0.50 0.00 0.00 54.79 52.72 3gyr n ASP 323 Cb 0.56 -0.22 0.87 0.00 -1.14 0.00 0.00 41.12 41.19 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 -0.51 0.11 3.07 -1.90 0.18 114.58 115.53 3gyr h GLU 324 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3gyr h GLU 324 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3gyr h GLU 324 CO 0.16 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.52 3gyr n ASP 325 N -3.10 3.68 -0.67 1.42 9.92 -1.26 -4.93 116.55 121.61 3gyr n ASP 325 Ca -0.01 -2.19 -0.09 0.00 -0.53 0.00 0.00 54.79 51.98 3gyr n ASP 325 Cb 0.36 -0.40 -0.04 0.00 -0.64 0.00 0.00 41.12 40.40 3gyr n ASP 325 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3gyr n ASP 326 N 0.86 -4.51 -4.71 -2.24 9.92 0.63 -5.00 116.55 111.50 3gyr n ASP 326 Ca 0.19 0.22 -0.41 0.00 -0.53 0.00 0.00 54.79 54.25 3gyr n ASP 326 Cb 0.62 -2.78 -0.04 0.00 -0.64 0.00 0.00 41.12 38.29 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 -2.51 4.51 0.54 -1.24 3.52 -1.26 -4.71 118.95 117.80 3gyr s ARG 327 Ca 0.00 1.24 -0.21 0.00 -0.13 0.00 0.00 55.73 56.63 3gyr s ARG 327 Cb 0.00 -3.46 -0.06 0.00 -1.56 0.00 0.00 34.95 29.86 3gyr s ARG 327 CO 0.00 -0.04 1.13 -2.30 -0.81 0.00 0.00 175.30 173.28 3gyr n PRO 328 N 3.96 1.32 -3.74 5.12 -0.02 -1.26 -0.82 135.00 139.56 3gyr n PRO 328 Ca 0.04 0.49 -0.37 0.00 -2.02 0.00 0.00 63.50 61.64 3gyr n PRO 328 Cb 0.51 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.37 3.57 0.61 -1.45 1.01 0.50 -4.83 120.40 118.45 3gyr s VAL 329 Ca 0.71 -1.64 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 3gyr s VAL 329 Cb -0.45 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3gyr s VAL 329 CO 0.50 -0.48 1.01 -2.16 0.00 0.00 0.00 175.10 173.97 3gyr s PRO 330 N 1.27 3.53 -0.54 2.72 0.04 -1.26 -4.33 135.00 136.43 3gyr s PRO 330 Ca 0.03 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.74 3gyr s PRO 330 Cb -0.22 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3gyr s PRO 330 CO -0.01 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.87 3gyr n GLY 331 N -2.72 0.77 0.00 0.56 0.00 -1.26 -4.80 105.19 97.74 3gyr n GLY 331 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.83 0.00 -3.83 1.61 0.31 -1.26 -4.93 118.33 107.40 3gyr n VAL 332 Ca -0.05 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.91 3gyr n VAL 332 Cb 0.18 -0.56 -0.06 0.00 -0.91 0.00 0.00 33.84 32.48 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 -1.77 5.46 -0.04 2.52 1.01 -1.26 -0.61 120.40 125.71 3gyr s VAL 333 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 3gyr s VAL 333 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.98 3gyr s VAL 333 CO 0.00 0.59 0.01 -1.00 0.00 0.00 0.00 175.10 174.70 3gyr s HIS 334 N -0.82 0.37 -0.05 5.22 3.76 0.50 -1.26 115.29 123.02 3gyr s HIS 334 Ca 0.15 0.00 -0.22 0.00 -0.15 0.00 0.00 55.06 54.84 3gyr s HIS 334 Cb -0.12 -0.54 -0.04 0.00 1.11 0.00 0.00 32.58 32.98 3gyr s HIS 334 CO 0.04 -0.20 0.66 -1.14 -0.85 0.00 0.00 174.74 173.25 3gyr s GLN 335 N 1.54 4.41 -0.00 1.40 0.74 0.18 -0.78 119.66 127.15 3gyr s GLN 335 Ca -0.02 0.82 0.01 0.00 0.05 0.00 0.00 55.36 56.22 3gyr s GLN 335 Cb -0.13 -3.42 -0.02 0.00 1.10 0.00 0.00 33.01 30.55 3gyr s GLN 335 CO -0.03 0.16 0.04 0.44 -0.55 0.00 0.00 175.29 175.35 3gyr n ILE 336 N 3.46 0.00 -4.03 -2.34 -5.35 0.32 -1.03 119.36 110.39 3gyr n ILE 336 Ca -0.03 -0.28 -0.10 0.00 -0.27 0.00 0.00 62.75 62.07 3gyr n ILE 336 Cb 0.51 0.77 -0.06 0.00 -1.74 0.00 0.00 39.64 39.13 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 -1.55 0.68 0.00 3.28 0.00 -0.98 -0.78 107.32 107.97 3gyr s GLY 337 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.72 3gyr s GLY 337 CO 0.05 -0.74 0.00 -1.14 0.00 0.00 0.00 173.10 171.27 3gyr n SER 338 N -0.40 0.00 -0.30 1.64 3.41 -0.13 -1.59 113.62 116.25 3gyr n SER 338 Ca -0.01 -0.52 0.11 0.00 -0.26 0.00 0.00 58.87 58.19 3gyr n SER 338 Cb 0.62 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.82 3gyr n SER 338 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3gyr h ASP 339 N 0.00 -0.34 -0.49 4.04 3.32 -1.58 0.18 116.42 121.56 3gyr h ASP 339 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3gyr h ASP 339 Cb 0.00 0.39 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3gyr h ASP 339 CO 0.00 -0.25 0.00 0.61 -1.72 0.00 0.00 179.24 177.88 3gyr n GLY 340 N -1.45 2.07 0.00 2.75 0.00 0.11 -4.39 105.19 104.28 3gyr n GLY 340 Ca 0.20 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.34 0.66 3.58 -0.02 0.00 0.05 -4.77 105.19 106.03 3gyr n GLY 341 Ca 0.19 -2.11 -0.52 0.00 0.00 0.00 0.00 46.02 43.58 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 1.45 -4.77 0.99 4.77 -1.26 -0.95 117.00 117.23 3gyr n LEU 342 Ca 0.00 1.13 -0.32 0.00 -0.03 0.00 0.00 56.01 56.79 3gyr n LEU 342 Cb 0.00 -1.17 0.08 0.00 -2.33 0.00 0.00 43.42 39.99 3gyr n LEU 342 CO 0.00 -1.21 0.71 -0.76 -1.33 0.00 0.00 177.39 174.81 3gyr s LEU 343 N 0.53 3.15 0.29 2.23 1.43 0.04 -4.67 118.68 121.68 3gyr s LEU 343 Ca 0.82 1.90 0.03 0.00 -1.03 0.00 0.00 54.13 55.85 3gyr s LEU 343 Cb -0.95 -4.53 0.46 0.00 0.03 0.00 0.00 46.19 41.19 3gyr s LEU 343 CO 0.49 -1.92 1.75 1.55 0.23 0.00 0.00 176.35 178.45 3gyr h PRO 344 N -0.74 0.46 -4.28 1.29 0.13 -1.89 -3.29 132.00 123.68 3gyr h PRO 344 Ca -0.45 -0.16 -0.24 0.00 -0.87 0.00 0.00 66.00 64.28 3gyr h PRO 344 Cb 1.24 -0.03 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 3gyr h PRO 344 CO 0.52 0.66 -0.72 1.03 -0.23 0.00 0.00 178.00 179.25 3gyr s ARG 345 N -4.54 0.41 0.49 0.86 0.52 -1.26 -0.42 118.95 115.01 3gyr s ARG 345 Ca -0.07 -0.60 -0.23 0.00 -0.52 0.00 0.00 55.73 54.31 3gyr s ARG 345 Cb 0.14 -0.15 -0.06 0.00 0.52 0.00 0.00 34.95 35.40 3gyr s ARG 345 CO 0.78 0.02 1.31 -2.14 0.02 0.00 0.00 175.30 175.29 3gyr s PRO 346 N -1.29 3.48 -0.24 3.54 0.02 -1.26 -4.87 135.00 134.38 3gyr s PRO 346 Ca -0.10 2.12 -0.04 0.00 0.02 0.00 0.00 61.00 63.00 3gyr s PRO 346 Cb -0.09 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 32.03 3gyr s PRO 346 CO -0.00 -0.88 -0.03 0.08 -0.33 0.00 0.00 177.00 175.84 3gyr s VAL 347 N -1.35 3.32 0.22 3.83 1.01 -0.20 -4.94 120.40 122.30 3gyr s VAL 347 Ca 0.66 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 3gyr s VAL 347 Cb -0.37 -2.59 -0.09 0.00 0.00 0.00 0.00 36.38 33.32 3gyr s VAL 347 CO 0.45 0.31 1.38 -2.16 0.00 0.00 0.00 175.10 175.08 3gyr s PRO 348 N 1.44 4.32 -0.58 2.72 0.04 -1.26 0.48 135.00 142.17 3gyr s PRO 348 Ca 0.04 2.18 -0.01 0.00 0.04 0.00 0.00 61.00 63.25 3gyr s PRO 348 Cb -0.15 -3.15 0.15 0.00 0.04 0.00 0.00 34.50 31.38 3gyr s PRO 348 CO -0.03 -0.35 0.37 0.08 0.04 0.00 0.00 177.00 177.12 3gyr s VAL 349 N 0.10 3.32 -2.52 -0.36 1.01 -0.39 -4.88 120.40 116.69 3gyr s VAL 349 Ca 0.58 -3.04 0.23 0.00 0.00 0.00 0.00 61.98 59.76 3gyr s VAL 349 Cb -0.39 -3.21 0.41 0.00 0.00 0.00 0.00 36.38 33.19 3gyr s VAL 349 CO 0.40 -0.84 1.41 0.47 0.00 0.00 0.00 175.10 176.54 3gyr n ASP 350 N 3.41 3.21 -3.46 3.32 8.00 -1.26 -4.28 116.55 125.50 3gyr n ASP 350 Ca 0.07 -1.96 -0.24 0.00 0.71 0.00 0.00 54.79 53.36 3gyr n ASP 350 Cb 0.36 -0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.24 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 1.35 -1.74 -1.13 1.24 3.01 -0.92 -4.10 117.46 115.17 3gyr n PHE 351 Ca 0.19 0.47 0.00 0.00 1.01 0.00 0.00 57.45 59.12 3gyr n PHE 351 Cb 0.58 -2.68 0.00 0.00 -0.01 0.00 0.00 39.48 37.36 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 -2.26 0.00 -1.23 4.37 3.85 -1.20 -4.73 116.55 115.35 3gyr n ASP 352 Ca 0.00 0.00 0.09 0.00 -0.71 0.00 0.00 54.79 54.17 3gyr n ASP 352 Cb 0.53 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.59 3gyr n ASP 352 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3gyr n ASP 353 N 0.00 4.03 0.04 -1.12 8.00 -1.26 -1.48 116.55 124.76 3gyr n ASP 353 Ca 0.00 -2.28 0.11 0.00 0.71 0.00 0.00 54.79 53.33 3gyr n ASP 353 Cb 0.00 -0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 40.55 3gyr n ASP 353 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3gyr n THR 354 N 0.95 0.28 -2.76 -3.53 -1.04 -1.26 -4.71 114.28 102.20 3gyr n THR 354 Ca 0.22 -0.49 -0.03 0.00 -2.04 0.00 0.00 64.05 61.70 3gyr n THR 354 Cb 0.71 -0.12 0.02 0.00 -1.82 0.00 0.00 70.33 69.12 3gyr n THR 354 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3gyr s LEU 355 N -4.81 -0.97 0.32 -4.42 2.96 -1.24 -4.88 118.68 105.64 3gyr s LEU 355 Ca -0.04 -1.07 0.12 0.00 -0.22 0.00 0.00 54.13 52.92 3gyr s LEU 355 Cb 0.12 1.27 0.54 0.00 0.50 0.00 0.00 46.19 48.62 3gyr s LEU 355 CO 0.85 -0.04 1.71 1.55 -1.32 0.00 0.00 176.35 179.10 3gyr h PRO 356 N 4.89 0.00 -5.24 0.98 0.13 -1.54 -2.42 132.00 128.80 3gyr h PRO 356 Ca 0.03 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.78 3gyr h PRO 356 Cb 1.14 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.08 3gyr h PRO 356 CO -0.03 0.50 -0.76 0.14 -0.23 0.00 0.00 178.00 177.62 3gyr s VAL 357 N -3.86 1.11 -0.49 1.56 -7.23 -1.26 -4.50 120.40 105.73 3gyr s VAL 357 Ca -0.02 -1.51 -0.24 0.00 -1.81 0.00 0.00 61.98 58.41 3gyr s VAL 357 Cb 0.13 -1.26 0.03 0.00 0.56 0.00 0.00 36.38 35.84 3gyr s VAL 357 CO 0.74 -0.38 0.87 -0.22 -0.31 0.00 0.00 175.10 175.80 3gyr s LEU 358 N -2.13 4.16 -0.30 1.32 2.96 -0.42 -4.88 118.68 119.39 3gyr s LEU 358 Ca 0.03 -0.15 -0.20 0.00 -0.22 0.00 0.00 54.13 53.58 3gyr s LEU 358 Cb -0.07 -2.97 -0.01 0.00 0.50 0.00 0.00 46.19 43.65 3gyr s LEU 358 CO 0.02 -1.05 0.62 -0.55 -1.32 0.00 0.00 176.35 174.07 3gyr s SER 359 N 2.41 6.49 -0.32 3.68 0.15 -1.26 -0.43 113.70 124.43 3gyr s SER 359 Ca 0.31 0.43 0.03 0.00 0.70 0.00 0.00 55.95 57.43 3gyr s SER 359 Cb -0.12 -2.33 0.09 0.00 -1.71 0.00 0.00 66.02 61.95 3gyr s SER 359 CO 0.22 -0.47 0.02 0.00 1.20 0.00 0.00 173.24 174.21 3gyr s ALA 360 N 2.59 2.66 0.56 5.45 0.00 0.23 -4.98 121.76 128.27 3gyr s ALA 360 Ca 0.25 -2.25 -0.12 0.00 0.00 0.00 0.00 51.96 49.84 3gyr s ALA 360 Cb -0.15 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 3gyr s ALA 360 CO 0.12 -1.57 0.97 0.00 0.00 0.00 0.00 175.76 175.27 3gyr s ALA 361 N 1.03 3.15 0.11 0.00 0.00 -1.26 -1.45 121.76 123.34 3gyr s ALA 361 Ca 0.06 -0.08 -0.34 0.00 0.00 0.00 0.00 51.96 51.61 3gyr s ALA 361 Cb -0.19 -3.00 -0.18 0.00 0.00 0.00 0.00 23.12 19.75 3gyr s ALA 361 CO -0.09 -0.48 0.79 -2.30 0.00 0.00 0.00 175.76 173.68 3gyr n PRO 362 N -2.27 0.01 0.00 0.00 -0.02 -1.25 -2.28 135.00 129.18 3gyr n PRO 362 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3gyr n PRO 362 Cb 0.54 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 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 0.72 0.00 -1.77 3.55 0.00 -0.10 -4.97 120.51 117.95 3gyr n ALA 363 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 3gyr n ALA 363 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.08 3.74 -0.02 0.00 2.02 -0.97 -4.89 118.70 118.50 3gyr s GLU 364 Ca 0.00 1.90 0.07 0.00 0.02 0.00 0.00 54.97 56.96 3gyr s GLU 364 Cb 0.00 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 3gyr s GLU 364 CO 0.00 -0.60 -0.24 1.03 0.02 0.00 0.00 175.26 175.46 3gyr s ARG 365 N -2.61 2.06 -0.13 1.61 0.52 -1.26 -3.23 118.95 115.91 3gyr s ARG 365 Ca 0.63 -0.87 -0.00 0.00 -0.52 0.00 0.00 55.73 54.96 3gyr s ARG 365 Cb -0.32 -1.94 0.02 0.00 0.52 0.00 0.00 34.95 33.23 3gyr s ARG 365 CO 0.39 0.50 -0.10 -0.06 0.02 0.00 0.00 175.30 176.05 3gyr s PHE 366 N -0.50 1.73 -0.56 -0.53 0.08 0.58 -3.55 117.98 115.23 3gyr s PHE 366 Ca 0.07 -0.92 -0.20 0.00 0.12 0.00 0.00 56.93 56.00 3gyr s PHE 366 Cb -0.10 -1.36 0.07 0.00 -0.57 0.00 0.00 43.02 41.06 3gyr s PHE 366 CO -0.00 -0.57 0.74 0.34 -0.10 0.00 0.00 175.22 175.62 3gyr s ASP 367 N 1.63 6.22 -0.15 1.36 2.15 -0.62 -1.03 116.67 126.22 3gyr s ASP 367 Ca 0.05 -1.02 -0.02 0.00 0.43 0.00 0.00 52.55 51.99 3gyr s ASP 367 Cb -0.13 -2.33 -0.02 0.00 -0.30 0.00 0.00 42.92 40.14 3gyr s ASP 367 CO -0.09 -1.08 -0.08 -0.76 -0.17 0.00 0.00 175.17 172.99 3gyr s LEU 368 N 3.02 2.98 -0.08 -1.34 1.43 0.06 0.12 118.68 124.86 3gyr s LEU 368 Ca 0.17 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 52.85 3gyr s LEU 368 Cb -0.20 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 3gyr s LEU 368 CO 0.11 0.14 0.46 -0.76 0.23 0.00 0.00 176.35 176.52 3gyr s LEU 369 N 0.52 4.33 -0.05 1.79 1.43 0.04 -0.01 118.68 126.73 3gyr s LEU 369 Ca -0.06 0.86 0.06 0.00 -1.03 0.00 0.00 54.13 53.97 3gyr s LEU 369 Cb -0.15 -2.67 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 3gyr s LEU 369 CO 0.03 0.09 -0.25 0.68 0.23 0.00 0.00 176.35 177.14 3gyr s VAL 370 N 0.13 2.08 -0.49 -1.59 -7.23 -0.30 -0.37 120.40 112.64 3gyr s VAL 370 Ca 0.25 -1.07 -0.07 0.00 -1.81 0.00 0.00 61.98 59.29 3gyr s VAL 370 Cb -0.16 -1.74 0.13 0.00 0.56 0.00 0.00 36.38 35.17 3gyr s VAL 370 CO 0.11 0.57 0.34 -0.62 -0.31 0.00 0.00 175.10 175.19 3gyr s ASP 371 N -0.26 5.57 -0.16 4.85 2.15 0.22 -0.94 116.67 128.11 3gyr s ASP 371 Ca -0.01 -2.09 0.06 0.00 0.43 0.00 0.00 52.55 50.94 3gyr s ASP 371 Cb -0.13 -1.95 0.44 0.00 -0.30 0.00 0.00 42.92 40.98 3gyr s ASP 371 CO 0.03 -0.61 1.27 0.49 -0.17 0.00 0.00 175.17 176.18 3gyr n PHE 372 N 4.61 1.30 -0.25 -5.34 3.72 -0.73 -4.60 117.46 116.16 3gyr n PHE 372 Ca -0.03 -0.60 -0.06 0.00 -0.05 0.00 0.00 57.45 56.70 3gyr n PHE 372 Cb 0.41 -0.40 0.07 0.00 -0.94 0.00 0.00 39.48 38.62 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 1.85 1.12 -0.60 -1.08 3.08 -1.74 -2.34 114.38 114.68 3gyr h ARG 373 Ca 0.08 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3gyr h ARG 373 Cb 1.50 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3gyr h ARG 373 CO 0.36 0.96 0.00 0.00 -1.07 0.00 0.00 179.97 180.22 3gyr n ALA 374 N -2.45 2.86 -1.07 0.04 0.00 -1.26 -4.42 120.51 114.21 3gyr n ALA 374 Ca 0.06 -0.84 0.08 0.00 0.00 0.00 0.00 53.44 52.73 3gyr n ALA 374 Cb 0.23 -1.02 0.11 0.00 0.00 0.00 0.00 19.45 18.77 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 0.46 1.99 -4.67 0.00 4.77 -0.88 -5.05 117.00 113.61 3gyr n LEU 375 Ca 0.14 -2.67 -0.43 0.00 -0.03 0.00 0.00 56.01 53.02 3gyr n LEU 375 Cb 0.55 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 3gyr n LEU 375 CO 0.13 0.62 0.82 0.61 -1.33 0.00 0.00 177.39 178.24 3gyr n GLY 376 N -1.14 0.38 2.62 -0.72 0.00 -1.26 -1.47 105.19 103.61 3gyr n GLY 376 Ca 0.12 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 0.88 0.36 3.91 -0.02 0.00 0.21 -4.72 105.19 105.82 3gyr n GLY 377 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.72 3.29 -0.11 1.61 1.81 -0.54 -4.92 118.95 119.36 3gyr s ARG 378 Ca 0.00 -0.73 0.03 0.00 -1.72 0.00 0.00 55.73 53.31 3gyr s ARG 378 Cb 0.00 -2.85 -0.00 0.00 -0.45 0.00 0.00 34.95 31.65 3gyr s ARG 378 CO 0.00 0.48 -0.22 1.03 -0.68 0.00 0.00 175.30 175.92 3gyr s ARG 379 N -3.45 3.11 0.19 3.54 0.52 -1.26 -1.23 118.95 120.37 3gyr s ARG 379 Ca 0.34 -0.84 0.10 0.00 -0.52 0.00 0.00 55.73 54.80 3gyr s ARG 379 Cb -0.10 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 3gyr s ARG 379 CO 0.27 0.16 -0.20 -0.51 0.02 0.00 0.00 175.30 175.04 3gyr s LEU 380 N 0.41 2.45 -0.05 2.53 1.43 -0.00 -3.57 118.68 121.89 3gyr s LEU 380 Ca -0.16 -0.88 0.03 0.00 -1.03 0.00 0.00 54.13 52.09 3gyr s LEU 380 Cb -0.17 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 45.10 3gyr s LEU 380 CO 0.07 0.02 -0.13 -0.13 0.23 0.00 0.00 176.35 176.40 3gyr s ARG 381 N -2.85 1.59 -0.08 1.70 0.52 0.54 -0.02 118.95 120.36 3gyr s ARG 381 Ca 0.19 -0.46 -0.26 0.00 -0.52 0.00 0.00 55.73 54.67 3gyr s ARG 381 Cb -0.06 -1.36 -0.03 0.00 0.52 0.00 0.00 34.95 34.02 3gyr s ARG 381 CO 0.08 0.12 0.84 -1.17 0.02 0.00 0.00 175.30 175.20 3gyr s LEU 382 N 0.35 4.29 0.07 2.53 2.96 -0.42 -0.59 118.68 127.87 3gyr s LEU 382 Ca -0.09 1.36 0.04 0.00 -0.22 0.00 0.00 54.13 55.22 3gyr s LEU 382 Cb -0.13 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 3gyr s LEU 382 CO 0.03 -0.26 -0.12 0.68 -1.32 0.00 0.00 176.35 175.36 3gyr s VAL 383 N 1.31 0.97 -0.07 1.68 -7.23 -0.17 -1.18 120.40 115.70 3gyr s VAL 383 Ca 0.43 -1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 58.98 3gyr s VAL 383 Cb -0.18 -1.03 -0.02 0.00 0.56 0.00 0.00 36.38 35.71 3gyr s VAL 383 CO 0.20 -0.32 1.00 -0.62 -0.31 0.00 0.00 175.10 175.04 3gyr s ASP 384 N -1.84 7.28 -0.17 4.85 2.15 0.17 -1.02 116.67 128.09 3gyr s ASP 384 Ca -0.02 1.56 -0.20 0.00 0.43 0.00 0.00 52.55 54.32 3gyr s ASP 384 Cb -0.09 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 3gyr s ASP 384 CO 0.02 -0.39 0.59 -0.75 -0.17 0.00 0.00 175.17 174.46 3gyr s LYS 385 N 1.71 4.25 0.42 4.34 2.20 0.21 -4.56 119.74 128.31 3gyr s LYS 385 Ca 0.49 0.57 -0.22 0.00 -0.36 0.00 0.00 55.97 56.46 3gyr s LYS 385 Cb -0.19 -3.54 -0.10 0.00 -1.51 0.00 0.00 37.83 32.49 3gyr s LYS 385 CO 0.21 -0.13 0.97 0.20 -0.36 0.00 0.00 175.35 176.24 3gyr s GLY 386 N 1.06 2.48 0.55 5.54 0.00 -1.26 -4.71 107.32 110.97 3gyr s GLY 386 Ca 0.28 0.46 0.28 0.00 0.00 0.00 0.00 44.72 45.74 3gyr s GLY 386 CO 0.11 0.78 2.14 -0.56 0.00 0.00 0.00 173.10 175.57 3gyr h PRO 387 N 2.07 0.00 -0.48 2.90 0.13 -1.93 -3.17 132.00 131.52 3gyr h PRO 387 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3gyr h PRO 387 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3gyr h PRO 387 CO 0.61 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 3gyr n GLY 388 N -0.97 2.28 3.34 1.56 0.00 -1.26 -4.97 105.19 105.17 3gyr n GLY 388 Ca -0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.08 -1.06 0.72 4.61 0.00 -1.20 -5.03 121.76 118.72 3gyr s ALA 389 Ca 0.35 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 3gyr s ALA 389 Cb 0.19 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.87 3gyr s ALA 389 CO 0.25 -0.57 1.15 -2.30 0.00 0.00 0.00 175.76 174.30 3gyr n PRO 390 N 0.11 0.63 -1.70 0.00 -0.02 -1.26 -4.37 135.00 128.39 3gyr n PRO 390 Ca -0.17 0.28 -0.64 0.00 -2.02 0.00 0.00 63.50 60.95 3gyr n PRO 390 Cb 0.62 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.52 -1.41 0.00 3.55 0.00 -1.26 -1.03 120.51 117.85 3gyr n ALA 391 Ca 0.14 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.07 3gyr n ALA 391 Cb 0.49 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 3.64 2.53 3.66 0.00 0.00 -1.26 -4.89 105.19 108.86 3gyr n GLY 392 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.61 5.13 0.37 2.61 2.01 -0.19 -4.84 115.64 118.11 3gyr s THR 393 Ca 0.00 0.09 -0.26 0.00 0.31 0.00 0.00 61.69 61.84 3gyr s THR 393 Cb 0.00 -3.36 -0.12 0.00 0.01 0.00 0.00 72.50 69.03 3gyr s THR 393 CO 0.00 0.40 0.97 -2.65 -0.69 0.00 0.00 174.62 172.65 3gyr n PRO 394 N 3.91 1.29 -3.07 4.92 -0.02 -1.26 -4.69 135.00 136.07 3gyr n PRO 394 Ca -0.16 0.46 -0.17 0.00 -2.02 0.00 0.00 63.50 61.61 3gyr n PRO 394 Cb 0.52 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 32.07 3gyr n PRO 394 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3gyr n ASP 395 N 0.86 -0.24 0.20 2.55 2.03 0.81 -4.83 116.55 117.93 3gyr n ASP 395 Ca 0.10 -3.09 0.18 0.00 0.52 0.00 0.00 54.79 52.50 3gyr n ASP 395 Cb 0.36 0.06 0.80 0.00 -0.72 0.00 0.00 41.12 41.62 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 3.32 0.00 0.00 -0.67 0.13 -1.80 0.96 132.00 133.94 3gyr h PRO 396 Ca 0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.02 3gyr h PRO 396 Cb 0.98 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 3gyr h PRO 396 CO 0.41 0.00 -1.49 -0.11 -0.23 0.00 0.00 178.00 176.58 3gyr n LEU 397 N -3.42 0.71 -0.55 1.56 0.00 -1.26 -2.17 117.00 111.87 3gyr n LEU 397 Ca 0.03 0.30 0.04 0.00 0.00 0.00 0.00 56.01 56.38 3gyr n LEU 397 Cb 0.47 0.08 0.12 0.00 0.00 0.00 0.00 43.42 44.10 3gyr n LEU 397 CO 0.22 0.11 0.59 0.61 0.00 0.00 0.00 177.39 178.92 3gyr n GLY 398 N 1.38 0.46 1.05 -3.96 0.00 0.19 -4.86 105.19 99.45 3gyr n GLY 398 Ca -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.86 0.71 2.24 -0.02 0.00 -0.92 -4.64 105.19 103.41 3gyr n GLY 399 Ca 0.09 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3gyr n GLY 399 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gyr n VAL 400 N -2.53 -0.71 -0.21 1.61 0.31 -0.36 -4.93 118.33 111.51 3gyr n VAL 400 Ca 0.00 -3.94 0.05 0.00 -0.01 0.00 0.00 64.34 60.44 3gyr n VAL 400 Cb 0.00 -1.91 0.31 0.00 -0.91 0.00 0.00 33.84 31.33 3gyr n VAL 400 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3gyr h ARG 401 N 4.32 0.84 -3.92 5.55 2.43 -1.79 0.23 114.38 122.04 3gyr h ARG 401 Ca 0.11 -0.05 -0.61 0.00 -0.81 0.00 0.00 59.98 58.62 3gyr h ARG 401 Cb 0.88 -0.19 -0.40 0.00 -0.42 0.00 0.00 29.97 29.84 3gyr h ARG 401 CO 0.45 0.55 -0.74 0.71 -1.51 0.00 0.00 179.97 179.43 3gyr s TYR 402 N -5.76 2.39 0.52 2.20 1.51 -1.26 -4.46 117.35 112.50 3gyr s TYR 402 Ca -0.10 -2.17 0.20 0.00 -1.01 0.00 0.00 57.07 53.99 3gyr s TYR 402 Cb 0.19 -2.12 1.32 0.00 -0.11 0.00 0.00 41.96 41.25 3gyr s TYR 402 CO 0.78 -0.90 2.09 -1.35 -1.11 0.00 0.00 175.55 175.06 3gyr h PRO 403 N 7.91 0.00 -6.82 -1.71 0.11 -1.80 -3.45 132.00 126.23 3gyr h PRO 403 Ca -0.10 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.48 3gyr h PRO 403 Cb 1.01 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.21 3gyr h PRO 403 CO 0.49 0.00 0.85 -1.83 -0.21 0.00 0.00 178.00 177.30 3gyr s GLU 404 N -5.04 4.14 -0.00 1.05 1.03 -1.26 0.42 118.70 119.03 3gyr s GLU 404 Ca -0.05 2.53 -0.05 0.00 0.03 0.00 0.00 54.97 57.43 3gyr s GLU 404 Cb 0.18 -3.03 -0.02 0.00 -0.80 0.00 0.00 34.13 30.46 3gyr s GLU 404 CO 0.69 -0.58 -0.11 0.28 -1.33 0.00 0.00 175.26 174.22 3gyr n VAL 405 N 1.91 1.14 -3.58 1.83 0.31 -0.32 -4.60 118.33 115.01 3gyr n VAL 405 Ca 0.07 0.24 -0.07 0.00 -0.01 0.00 0.00 64.34 64.56 3gyr n VAL 405 Cb 0.38 -1.78 -0.02 0.00 -0.91 0.00 0.00 33.84 31.52 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 -2.25 1.00 -0.06 5.55 0.23 -1.12 -4.13 119.30 118.53 3gyr s MET 406 Ca -0.09 -0.44 0.06 0.00 -1.03 0.00 0.00 55.69 54.18 3gyr s MET 406 Cb 0.02 0.41 -0.01 0.00 -1.53 0.00 0.00 34.83 33.72 3gyr s MET 406 CO 0.13 -0.45 -0.23 -2.00 -2.03 0.00 0.00 175.02 170.45 3gyr s GLU 407 N -3.25 2.56 -0.18 3.16 2.12 -0.87 -1.30 118.70 120.94 3gyr s GLU 407 Ca 0.07 -0.87 -0.07 0.00 0.36 0.00 0.00 54.97 54.46 3gyr s GLU 407 Cb -0.01 -2.21 -0.04 0.00 0.26 0.00 0.00 34.13 32.13 3gyr s GLU 407 CO -0.05 0.41 0.07 -0.06 -0.54 0.00 0.00 175.26 175.09 3gyr s PHE 408 N -0.24 3.27 -0.32 5.30 0.40 0.97 0.70 117.98 128.07 3gyr s PHE 408 Ca -0.01 0.11 -0.05 0.00 -0.60 0.00 0.00 56.93 56.38 3gyr s PHE 408 Cb -0.13 -2.07 0.04 0.00 0.51 0.00 0.00 43.02 41.37 3gyr s PHE 408 CO 0.03 0.19 0.06 1.03 0.70 0.00 0.00 175.22 177.23 3gyr s ARG 409 N 0.27 2.64 -0.28 0.44 0.52 0.30 -0.82 118.95 122.02 3gyr s ARG 409 Ca 0.04 -1.15 -0.15 0.00 -0.52 0.00 0.00 55.73 53.95 3gyr s ARG 409 Cb -0.12 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 3gyr s ARG 409 CO 0.00 -0.61 0.39 0.08 0.02 0.00 0.00 175.30 175.18 3gyr s VAL 410 N 1.37 5.16 -0.05 3.52 1.01 -0.36 -0.85 120.40 130.20 3gyr s VAL 410 Ca -0.02 0.56 -0.23 0.00 0.00 0.00 0.00 61.98 62.29 3gyr s VAL 410 Cb -0.19 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3gyr s VAL 410 CO 0.01 0.12 0.67 -0.60 0.00 0.00 0.00 175.10 175.30 3gyr s ARG 411 N 2.10 4.41 -0.13 2.72 3.52 -0.08 0.64 118.95 132.14 3gyr s ARG 411 Ca 0.15 0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 56.30 3gyr s ARG 411 Cb -0.16 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 3gyr s ARG 411 CO 0.10 0.16 1.41 -2.00 -0.81 0.00 0.00 175.30 174.15 3gyr s GLU 412 N 0.49 4.21 0.52 5.12 2.12 -1.26 -1.90 118.70 128.01 3gyr s GLU 412 Ca 0.35 1.85 0.07 0.00 0.36 0.00 0.00 54.97 57.61 3gyr s GLU 412 Cb -0.18 -3.85 0.04 0.00 0.26 0.00 0.00 34.13 30.40 3gyr s GLU 412 CO 0.18 -0.76 0.48 0.99 -0.54 0.00 0.00 175.26 175.61 3gyr s THR 413 N 3.71 1.98 -0.28 -1.70 2.01 -1.26 -4.96 115.64 115.14 3gyr s THR 413 Ca 0.62 -1.35 0.11 0.00 0.31 0.00 0.00 61.69 61.38 3gyr s THR 413 Cb -0.26 -2.33 0.60 0.00 0.01 0.00 0.00 72.50 70.52 3gyr s THR 413 CO 0.20 0.00 1.59 0.00 -0.69 0.00 0.00 174.62 175.73 3gyr s GLU 415 N -3.06 3.45 -0.24 0.00 2.02 -1.26 -5.09 118.70 114.52 3gyr s GLU 415 Ca 0.48 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.82 3gyr s GLU 415 Cb 0.40 -2.86 0.06 0.00 0.10 0.00 0.00 34.13 31.84 3gyr s GLU 415 CO 0.07 0.39 -0.05 -1.21 0.02 0.00 0.00 175.26 174.48 3gyr s GLU 416 N -3.94 1.66 -0.41 1.61 2.02 -1.26 -5.04 118.70 113.34 3gyr s GLU 416 Ca 0.35 -1.04 -0.24 0.00 0.02 0.00 0.00 54.97 54.06 3gyr s GLU 416 Cb -0.09 -2.62 0.02 0.00 0.10 0.00 0.00 34.13 31.54 3gyr s GLU 416 CO 0.30 -0.61 0.82 0.34 0.02 0.00 0.00 175.26 176.13 3gyr s ASP 417 N 1.36 6.50 -0.02 -0.19 -1.08 -1.26 -4.92 116.67 117.06 3gyr s ASP 417 Ca -0.06 0.18 0.15 0.00 -0.52 0.00 0.00 52.55 52.31 3gyr s ASP 417 Cb -0.19 -2.41 0.48 0.00 -1.46 0.00 0.00 42.92 39.35 3gyr s ASP 417 CO -0.06 -0.85 1.39 -1.54 0.52 0.00 0.00 175.17 174.62 3gyr n SER 418 N 6.66 3.06 -4.09 -0.34 3.41 -1.26 -5.00 113.62 116.06 3gyr n SER 418 Ca 0.04 -2.10 -0.51 0.00 -0.26 0.00 0.00 58.87 56.03 3gyr n SER 418 Cb 0.48 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.96 0.32 -4.20 7.33 7.35 -1.26 -4.96 117.46 123.00 3gyr n PHE 419 Ca 0.18 0.95 -0.34 0.00 -0.76 0.00 0.00 57.45 57.48 3gyr n PHE 419 Cb 0.52 -1.88 -0.14 0.00 0.35 0.00 0.00 39.48 38.32 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 -0.24 2.69 -0.34 3.13 0.00 -1.26 -5.10 121.76 120.65 3gyr s ALA 420 Ca 0.77 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 3gyr s ALA 420 Cb -1.08 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.54 3gyr s ALA 420 CO 0.52 -0.20 0.32 -1.17 0.00 0.00 0.00 175.76 175.22 3gyr s LEU 421 N 1.09 4.46 0.52 0.00 2.96 -1.26 -5.05 118.68 121.40 3gyr s LEU 421 Ca 0.01 -0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 53.50 3gyr s LEU 421 Cb -0.15 -2.26 -0.06 0.00 0.50 0.00 0.00 46.19 44.22 3gyr s LEU 421 CO -0.02 -0.30 0.93 -2.16 -1.32 0.00 0.00 176.35 173.49 3gyr s PRO 422 N 1.91 3.76 0.26 0.98 0.04 -1.26 -4.98 135.00 135.71 3gyr s PRO 422 Ca 0.10 0.71 0.03 0.00 0.04 0.00 0.00 61.00 61.88 3gyr s PRO 422 Cb -0.17 -2.20 0.35 0.00 0.04 0.00 0.00 34.50 32.53 3gyr s PRO 422 CO 0.11 -0.31 1.65 0.93 0.04 0.00 0.00 177.00 179.42 3gyr h GLU 423 N 0.51 0.36 -5.28 4.56 4.39 -1.98 -3.39 114.58 113.76 3gyr h GLU 423 Ca -0.46 -0.18 -0.62 0.00 0.34 0.00 0.00 59.36 58.44 3gyr h GLU 423 Cb 1.19 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.68 3gyr h GLU 423 CO 0.62 0.72 -0.56 0.08 -1.16 0.00 0.00 179.01 178.71 3gyr s VAL 424 N -4.16 4.79 -0.21 3.13 1.01 -1.26 -4.21 120.40 119.48 3gyr s VAL 424 Ca -0.06 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 3gyr s VAL 424 Cb 0.13 -3.16 -0.13 0.00 0.00 0.00 0.00 36.38 33.23 3gyr s VAL 424 CO 0.79 0.46 -0.08 0.18 0.00 0.00 0.00 175.10 176.46 3gyr n LEU 425 N 3.55 1.88 -4.44 3.92 4.77 0.44 -4.92 117.00 122.20 3gyr n LEU 425 Ca -0.17 0.44 -0.35 0.00 -0.03 0.00 0.00 56.01 55.90 3gyr n LEU 425 Cb 0.52 -0.88 -0.13 0.00 -2.33 0.00 0.00 43.42 40.60 3gyr n LEU 425 CO 0.35 0.14 -0.33 -0.55 -1.33 0.00 0.00 177.39 175.67 3gyr s SER 426 N -6.69 4.83 0.42 -1.43 0.15 -1.16 -4.96 113.70 104.86 3gyr s SER 426 Ca -0.29 -0.20 0.25 0.00 0.70 0.00 0.00 55.95 56.41 3gyr s SER 426 Cb 0.07 -1.83 0.60 0.00 -1.71 0.00 0.00 66.02 63.16 3gyr s SER 426 CO 0.47 0.06 1.70 1.23 1.20 0.00 0.00 173.24 177.90 3gyr h GLY 427 N 7.52 0.00 2.00 9.45 0.00 -1.91 -3.30 103.07 116.83 3gyr h GLY 427 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3gyr h GLY 427 CO 0.61 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.63 3gyr h SER 428 N 0.00 0.00 -2.70 0.19 4.64 -2.00 -3.46 113.55 110.23 3gyr h SER 428 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3gyr h SER 428 Cb 0.86 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.97 3gyr h SER 428 CO 0.00 0.00 0.99 0.12 -0.87 0.00 0.00 176.83 177.07 3gyr s PHE 429 N -3.21 2.44 -0.16 4.77 5.36 -1.24 -4.98 117.98 120.96 3gyr s PHE 429 Ca 0.07 0.35 0.01 0.00 -0.96 0.00 0.00 56.93 56.41 3gyr s PHE 429 Cb 0.06 -3.95 0.02 0.00 -0.34 0.00 0.00 43.02 38.81 3gyr s PHE 429 CO 0.65 -3.78 -0.20 1.03 -1.46 0.00 0.00 175.22 171.46 3gyr s ARG 430 N 2.64 2.92 0.25 10.12 1.81 -1.26 -5.07 118.95 130.35 3gyr s ARG 430 Ca 0.73 -0.81 -0.30 0.00 -1.72 0.00 0.00 55.73 53.64 3gyr s ARG 430 Cb -0.39 -2.47 -0.10 0.00 -0.45 0.00 0.00 34.95 31.54 3gyr s ARG 430 CO 0.32 -0.15 1.41 0.50 -0.68 0.00 0.00 175.30 176.70 3gyr s ARG 431 N 1.15 4.29 0.02 3.54 6.06 -1.26 -4.96 118.95 127.79 3gyr s ARG 431 Ca 0.01 2.26 -0.30 0.00 -2.50 0.00 0.00 55.73 55.20 3gyr s ARG 431 Cb -0.14 -3.12 -0.07 0.00 0.06 0.00 0.00 34.95 31.68 3gyr s ARG 431 CO -0.09 -0.38 1.65 -1.64 -2.50 0.00 0.00 175.30 172.34 3gyr s MET 432 N -0.48 4.20 -0.14 5.12 -1.94 -1.26 -5.01 119.30 119.78 3gyr s MET 432 Ca 0.58 2.26 -0.14 0.00 -1.71 0.00 0.00 55.69 56.68 3gyr s MET 432 Cb -0.41 -3.77 -0.05 0.00 2.01 0.00 0.00 34.83 32.62 3gyr s MET 432 CO 0.44 -0.77 0.30 0.45 -0.01 0.00 0.00 175.02 175.42 3gyr s SER 433 N 2.81 6.47 0.11 3.03 0.15 -1.26 -4.96 113.70 120.05 3gyr s SER 433 Ca 0.74 0.56 0.11 0.00 0.70 0.00 0.00 55.95 58.05 3gyr s SER 433 Cb -0.37 -2.18 0.52 0.00 -1.71 0.00 0.00 66.02 62.28 3gyr s SER 433 CO 0.31 0.14 1.33 1.57 1.20 0.00 0.00 173.24 177.79 3gyr n HIS 434 N 3.31 0.28 0.22 3.44 -0.00 -1.26 -2.39 115.22 118.81 3gyr n HIS 434 Ca -0.12 0.13 0.11 0.00 0.46 0.00 0.00 57.72 58.29 3gyr n HIS 434 Cb 0.52 -0.71 0.41 0.00 -0.12 0.00 0.00 29.99 30.09 3gyr n HIS 434 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3gyr h ASP 435 N 0.00 0.00 -3.05 0.26 5.19 -2.02 -3.44 116.42 113.36 3gyr h ASP 435 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 3gyr h ASP 435 Cb 0.08 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.62 3gyr h ASP 435 CO 0.00 0.19 0.73 -0.51 -3.12 0.00 0.00 179.24 176.53 3gyr s ILE 436 N -3.52 3.21 0.29 0.35 2.07 -1.01 -4.93 121.20 117.67 3gyr s ILE 436 Ca 0.02 0.89 -0.29 0.00 -1.41 0.00 0.00 60.65 59.86 3gyr s ILE 436 Cb 0.09 -3.57 -0.13 0.00 0.13 0.00 0.00 42.46 38.98 3gyr s ILE 436 CO 0.64 0.08 1.25 -2.65 -1.91 0.00 0.00 174.94 172.34 3gyr n PRO 437 N 3.71 1.87 -3.76 3.50 -0.02 -1.26 -4.98 135.00 134.06 3gyr n PRO 437 Ca 0.11 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 62.15 3gyr n PRO 437 Cb 0.42 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 3gyr n PRO 437 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3gyr s HIS 438 N -0.77 -0.05 0.63 6.00 -3.43 -1.26 -4.48 115.29 111.92 3gyr s HIS 438 Ca 0.60 -0.29 0.06 0.00 -0.80 0.00 0.00 55.06 54.64 3gyr s HIS 438 Cb -0.64 0.33 0.11 0.00 -1.43 0.00 0.00 32.58 30.95 3gyr s HIS 438 CO 0.58 -0.89 0.87 0.20 -2.00 0.00 0.00 174.74 173.51 3gyr s GLY 439 N -2.88 1.73 -0.03 -1.38 0.00 -0.61 -4.90 107.32 99.24 3gyr s GLY 439 Ca 0.10 -2.06 -0.00 0.00 0.00 0.00 0.00 44.72 42.76 3gyr s GLY 439 CO -0.03 -1.54 0.02 0.30 0.00 0.00 0.00 173.10 171.86 3gyr s HIS 440 N -2.85 0.16 0.04 1.90 3.76 -1.26 -0.25 115.29 116.80 3gyr s HIS 440 Ca 0.64 0.08 0.08 0.00 -0.15 0.00 0.00 55.06 55.71 3gyr s HIS 440 Cb -0.05 -0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.26 3gyr s HIS 440 CO 0.41 -0.12 -0.20 1.03 -0.85 0.00 0.00 174.74 175.01 3gyr s ARG 441 N 1.20 2.02 -0.18 1.40 1.81 -0.15 -4.97 118.95 120.07 3gyr s ARG 441 Ca -0.07 -1.00 -0.01 0.00 -1.72 0.00 0.00 55.73 52.92 3gyr s ARG 441 Cb -0.13 -2.14 0.00 0.00 -0.45 0.00 0.00 34.95 32.23 3gyr s ARG 441 CO -0.03 0.54 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.83 3gyr s LEU 442 N -1.35 2.55 -0.25 2.53 2.96 -1.26 -0.95 118.68 122.90 3gyr s LEU 442 Ca 0.14 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 3gyr s LEU 442 Cb -0.10 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 45.02 3gyr s LEU 442 CO 0.04 0.04 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.40 3gyr s ILE 443 N 1.09 2.59 0.03 6.68 -1.09 -0.06 -2.25 121.20 128.19 3gyr s ILE 443 Ca 0.00 -1.28 -0.16 0.00 -2.23 0.00 0.00 60.65 56.98 3gyr s ILE 443 Cb -0.14 -2.39 -0.06 0.00 -1.58 0.00 0.00 42.46 38.28 3gyr s ILE 443 CO -0.04 0.10 0.47 -0.69 -1.23 0.00 0.00 174.94 173.56 3gyr s VAL 444 N 1.24 4.91 -0.12 2.92 1.01 -0.51 0.66 120.40 130.50 3gyr s VAL 444 Ca -0.03 0.98 0.02 0.00 0.00 0.00 0.00 61.98 62.95 3gyr s VAL 444 Cb -0.18 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 3gyr s VAL 444 CO -0.05 0.56 -0.18 -0.76 0.00 0.00 0.00 175.10 174.67 3gyr s LEU 445 N -1.12 2.37 0.15 3.92 1.43 0.46 -1.07 118.68 124.83 3gyr s LEU 445 Ca 0.26 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 3gyr s LEU 445 Cb -0.18 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3gyr s LEU 445 CO 0.16 0.14 -0.03 0.42 0.23 0.00 0.00 176.35 177.27 3gyr s THR 446 N 0.48 3.64 0.56 5.49 -4.23 -0.96 -0.19 115.64 120.43 3gyr s THR 446 Ca -0.13 -1.36 -0.20 0.00 -1.18 0.00 0.00 61.69 58.83 3gyr s THR 446 Cb -0.17 -2.79 -0.05 0.00 1.34 0.00 0.00 72.50 70.84 3gyr s THR 446 CO 0.05 -0.03 1.21 -2.84 -0.54 0.00 0.00 174.62 172.47 3gyr s PRO 447 N -2.70 3.17 0.24 3.99 0.02 -1.26 -3.50 135.00 134.96 3gyr s PRO 447 Ca 0.26 1.84 -0.05 0.00 0.02 0.00 0.00 61.00 63.06 3gyr s PRO 447 Cb -0.10 -2.05 0.36 0.00 0.02 0.00 0.00 34.50 32.73 3gyr s PRO 447 CO 0.17 -1.05 1.83 -1.35 -0.33 0.00 0.00 177.00 176.27 3gyr h PRO 448 N 1.18 0.83 -0.59 5.54 0.11 -1.83 -2.71 132.00 134.54 3gyr h PRO 448 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3gyr h PRO 448 Cb 1.29 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gyr h PRO 448 CO 0.56 0.55 0.00 0.41 -0.21 0.00 0.00 178.00 179.32 3gyr n GLY 449 N -1.32 0.57 3.76 -0.55 0.00 -1.26 -2.81 105.19 103.58 3gyr n GLY 449 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.34 2.76 -0.03 2.61 2.01 -1.02 -4.73 115.64 115.89 3gyr s THR 450 Ca 0.00 0.58 -0.38 0.00 0.31 0.00 0.00 61.69 62.21 3gyr s THR 450 Cb 0.00 -3.30 -0.16 0.00 0.01 0.00 0.00 72.50 69.05 3gyr s THR 450 CO 0.00 0.01 1.50 1.17 -0.69 0.00 0.00 174.62 176.60 3gyr n LYS 451 N -0.56 1.23 -0.84 4.92 3.00 -0.61 -2.66 118.16 122.65 3gyr n LYS 451 Ca 0.08 0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 3gyr n LYS 451 Cb 0.47 -2.11 0.00 0.00 0.00 0.00 0.00 35.03 33.38 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 3.15 0.58 0.39 3.14 0.00 -1.26 -4.85 105.19 106.33 3gyr n GLY 452 Ca 0.21 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 0.03 1.89 -1.20 1.61 3.41 -1.09 -4.98 113.62 113.29 3gyr n SER 453 Ca 0.00 -1.45 -0.16 0.00 -0.26 0.00 0.00 58.87 57.00 3gyr n SER 453 Cb 0.00 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 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 0.51 1.55 0.96 5.00 0.00 -1.26 -2.19 105.19 109.75 3gyr n GLY 454 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.66 0.68 3.92 -0.02 0.00 -1.24 -4.85 105.19 103.03 3gyr n GLY 455 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.62 3.51 0.60 1.61 3.76 -0.93 -4.39 115.29 116.84 3gyr s HIS 456 Ca 0.00 0.24 -0.17 0.00 -0.15 0.00 0.00 55.06 54.98 3gyr s HIS 456 Cb 0.00 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 3gyr s HIS 456 CO 0.00 0.58 1.10 -1.25 -0.85 0.00 0.00 174.74 174.31 3gyr s PRO 457 N -2.61 3.16 0.11 8.40 0.04 -1.26 -4.45 135.00 138.38 3gyr s PRO 457 Ca 0.35 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.82 3gyr s PRO 457 Cb -0.13 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3gyr s PRO 457 CO 0.28 -0.97 -0.04 -1.21 0.04 0.00 0.00 177.00 175.10 3gyr s GLU 458 N -3.78 0.85 -0.17 4.56 2.02 -1.23 -4.77 118.70 116.18 3gyr s GLU 458 Ca 0.68 -1.36 -0.18 0.00 0.02 0.00 0.00 54.97 54.13 3gyr s GLU 458 Cb -0.20 -0.10 -0.04 0.00 0.10 0.00 0.00 34.13 33.89 3gyr s GLU 458 CO 0.34 -0.08 0.50 0.42 0.02 0.00 0.00 175.26 176.47 3gyr s ILE 459 N -3.72 5.14 -0.22 -1.63 1.01 -1.26 -2.26 121.20 118.25 3gyr s ILE 459 Ca 0.14 0.94 -0.01 0.00 0.00 0.00 0.00 60.65 61.73 3gyr s ILE 459 Cb 0.06 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.72 3gyr s ILE 459 CO -0.04 0.23 -0.11 0.26 0.00 0.00 0.00 174.94 175.29 3gyr s TRP 460 N 1.26 2.96 0.15 3.97 0.52 -0.23 -4.01 118.94 123.56 3gyr s TRP 460 Ca 0.25 -1.54 -0.27 0.00 0.02 0.00 0.00 56.10 54.56 3gyr s TRP 460 Cb -0.15 -2.01 -0.07 0.00 -1.15 0.00 0.00 33.47 30.09 3gyr s TRP 460 CO 0.10 -0.74 0.83 -1.21 0.02 0.00 0.00 176.95 175.96 3gyr s GLU 461 N 1.32 4.63 0.04 4.98 2.02 -0.56 -1.43 118.70 129.70 3gyr s GLU 461 Ca 0.02 1.25 0.08 0.00 0.02 0.00 0.00 54.97 56.34 3gyr s GLU 461 Cb -0.15 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 3gyr s GLU 461 CO -0.07 0.45 -0.24 -1.64 0.02 0.00 0.00 175.26 173.77 3gyr s MET 462 N -0.75 1.68 -0.02 1.61 -1.94 -0.96 -0.49 119.30 118.43 3gyr s MET 462 Ca 0.39 -1.03 0.06 0.00 -1.71 0.00 0.00 55.69 53.40 3gyr s MET 462 Cb -0.23 -1.82 -0.01 0.00 2.01 0.00 0.00 34.83 34.78 3gyr s MET 462 CO 0.27 0.47 -0.21 0.00 -0.01 0.00 0.00 175.02 175.54 3gyr s ALA 463 N -0.78 1.76 0.44 3.03 0.00 0.14 -4.45 121.76 121.90 3gyr s ALA 463 Ca 0.10 -0.89 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 3gyr s ALA 463 Cb -0.10 -0.48 -0.08 0.00 0.00 0.00 0.00 23.12 22.46 3gyr s ALA 463 CO 0.02 0.41 1.08 -2.00 0.00 0.00 0.00 175.76 175.26 3gyr s GLU 464 N -0.38 3.95 0.03 0.00 2.12 -1.26 0.36 118.70 123.53 3gyr s GLU 464 Ca 0.05 1.54 0.00 0.00 0.36 0.00 0.00 54.97 56.93 3gyr s GLU 464 Cb -0.09 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 3gyr s GLU 464 CO 0.00 -0.33 0.14 0.08 -0.54 0.00 0.00 175.26 174.60 3gyr s VAL 465 N -1.71 5.00 -0.34 3.70 1.01 0.53 -4.84 120.40 123.76 3gyr s VAL 465 Ca 0.62 -0.44 0.16 0.00 0.00 0.00 0.00 61.98 62.32 3gyr s VAL 465 Cb -0.22 -3.37 0.43 0.00 0.00 0.00 0.00 36.38 33.22 3gyr s VAL 465 CO 0.27 0.23 0.89 -0.62 0.00 0.00 0.00 175.10 175.88 3gyr n GLU 466 N 0.72 1.12 -2.35 2.72 1.02 -1.26 -4.68 120.64 117.94 3gyr n GLU 466 Ca -0.09 -3.31 -0.10 0.00 -0.02 0.00 0.00 57.16 53.64 3gyr n GLU 466 Cb 0.52 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 3gyr n GLU 466 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gyr n GLN 472 N 0.03 -1.37 0.00 3.49 -0.00 -1.26 -5.19 117.38 113.09 3gyr n GLN 472 Ca 0.14 0.47 0.00 0.00 -0.00 0.00 0.00 57.00 57.61 3gyr n GLN 472 Cb 0.77 -4.47 0.00 0.00 -0.00 0.00 0.00 30.24 26.55 3gyr n GLN 472 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3gyr n VAL 473 N -3.95 0.00 -2.18 -0.39 0.31 -1.26 -4.69 118.33 106.17 3gyr n VAL 473 Ca -0.10 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.89 3gyr n VAL 473 Cb 0.58 -0.13 -0.04 0.00 -0.91 0.00 0.00 33.84 33.34 3gyr n VAL 473 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3gyr s PRO 474 N 0.00 2.80 0.20 5.55 0.04 -1.26 -4.93 135.00 137.41 3gyr s PRO 474 Ca 0.00 -0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.01 3gyr s PRO 474 Cb 0.00 -4.75 -0.05 0.00 0.04 0.00 0.00 34.50 29.74 3gyr s PRO 474 CO 0.00 -2.83 -0.05 0.00 0.04 0.00 0.00 177.00 174.16 3gyr s ALA 475 N 8.46 1.73 0.08 8.56 0.00 -1.26 -5.05 121.76 134.28 3gyr s ALA 475 Ca 0.61 -1.67 -0.35 0.00 0.00 0.00 0.00 51.96 50.55 3gyr s ALA 475 Cb -0.08 0.29 -0.14 0.00 0.00 0.00 0.00 23.12 23.19 3gyr s ALA 475 CO 0.08 -0.17 1.58 -1.91 0.00 0.00 0.00 175.76 175.34 3gyr n GLU 476 N -0.35 1.88 -0.98 0.00 2.13 -1.26 -1.85 120.64 120.20 3gyr n GLU 476 Ca -0.07 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.43 3gyr n GLU 476 Cb 0.63 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.91 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 3.42 0.47 3.60 8.31 0.00 0.21 -4.91 105.19 116.30 3gyr n GLY 477 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.09 4.57 -0.10 1.61 1.01 -0.77 0.48 120.40 125.12 3gyr s VAL 478 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3gyr s VAL 478 Cb 0.00 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.36 3gyr s VAL 478 CO 0.00 0.47 -0.09 -0.63 0.00 0.00 0.00 175.10 174.86 3gyr s ILE 479 N 0.34 1.02 0.04 2.22 1.01 0.30 -1.29 121.20 124.84 3gyr s ILE 479 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.34 3gyr s ILE 479 Cb -0.13 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 3gyr s ILE 479 CO 0.01 0.35 0.15 -1.10 0.00 0.00 0.00 174.94 174.36 3gyr s GLN 480 N 1.38 3.24 -0.04 2.79 -0.21 -1.26 -0.71 119.66 124.85 3gyr s GLN 480 Ca -0.01 -0.49 -0.01 0.00 0.02 0.00 0.00 55.36 54.87 3gyr s GLN 480 Cb -0.14 -2.94 0.03 0.00 1.00 0.00 0.00 33.01 30.96 3gyr s GLN 480 CO -0.04 0.62 0.01 0.08 -2.12 0.00 0.00 175.29 173.83 3gyr s VAL 481 N -1.40 0.19 -0.54 1.09 1.01 -0.03 -1.11 120.40 119.61 3gyr s VAL 481 Ca 0.30 0.16 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 3gyr s VAL 481 Cb -0.13 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 35.97 3gyr s VAL 481 CO 0.23 0.19 0.77 -0.89 0.00 0.00 0.00 175.10 175.40 3gyr s THR 482 N 1.53 4.65 1.22 3.92 2.01 0.19 -0.98 115.64 128.17 3gyr s THR 482 Ca -0.03 -0.22 -0.19 0.00 0.31 0.00 0.00 61.69 61.57 3gyr s THR 482 Cb -0.13 -4.42 0.29 0.00 0.01 0.00 0.00 72.50 68.25 3gyr s THR 482 CO -0.03 -0.98 1.08 -0.83 -0.69 0.00 0.00 174.62 173.18 3gyr s GLY 483 N 2.86 1.56 0.11 4.40 0.00 0.55 -1.66 107.32 115.14 3gyr s GLY 483 Ca 0.21 -0.87 -0.27 0.00 0.00 0.00 0.00 44.72 43.79 3gyr s GLY 483 CO 0.14 0.00 1.64 0.00 0.00 0.00 0.00 173.10 174.89 3gyr h ALA 484 N -2.64 -0.43 0.00 3.20 0.00 -1.92 -1.55 119.26 115.92 3gyr h ALA 484 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gyr h ALA 484 Cb 1.30 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3gyr h ALA 484 CO 0.36 -0.79 0.00 -0.40 0.00 0.00 0.00 179.25 178.42 3gyr n ASP 485 N -5.37 0.00 0.00 0.00 5.75 -1.26 -4.73 116.55 110.93 3gyr n ASP 485 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 3gyr n ASP 485 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3gyr n ASP 485 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gyr n GLY 486 N -0.65 1.46 3.99 6.12 0.00 -0.58 -5.02 105.19 110.51 3gyr n GLY 486 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.05 3.12 -0.17 1.61 1.70 -1.26 -4.82 118.95 119.08 3gyr s ARG 487 Ca 0.00 -0.96 0.00 0.00 -0.47 0.00 0.00 55.73 54.31 3gyr s ARG 487 Cb 0.00 -2.80 0.01 0.00 -0.57 0.00 0.00 34.95 31.59 3gyr s ARG 487 CO 0.00 0.03 -0.16 0.99 -1.08 0.00 0.00 175.30 175.08 3gyr s THR 488 N -2.21 2.46 0.19 4.99 2.01 -1.26 -0.33 115.64 121.49 3gyr s THR 488 Ca 0.45 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.67 3gyr s THR 488 Cb -0.10 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 3gyr s THR 488 CO 0.32 0.51 0.28 -0.54 -0.69 0.00 0.00 174.62 174.50 3gyr s LYS 489 N 1.09 3.33 -0.11 4.92 1.02 -0.15 -4.90 119.74 124.93 3gyr s LYS 489 Ca -0.00 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.29 3gyr s LYS 489 Cb -0.14 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.29 3gyr s LYS 489 CO -0.06 0.48 -0.16 0.99 -0.92 0.00 0.00 175.35 175.68 3gyr s THR 490 N -1.84 2.77 0.01 2.17 2.01 -1.26 -0.86 115.64 118.64 3gyr s THR 490 Ca 0.34 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.61 3gyr s THR 490 Cb -0.10 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 3gyr s THR 490 CO 0.28 0.54 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.29 3gyr s TYR 491 N 0.22 1.34 -0.06 4.92 1.51 0.12 -0.35 117.35 125.05 3gyr s TYR 491 Ca -0.10 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 3gyr s TYR 491 Cb -0.16 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.82 3gyr s TYR 491 CO 0.06 0.01 0.02 0.50 -1.11 0.00 0.00 175.55 175.02 3gyr s ARG 492 N -0.66 2.97 -0.03 -0.62 3.52 0.16 -0.54 118.95 123.76 3gyr s ARG 492 Ca 0.05 -0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 54.89 3gyr s ARG 492 Cb -0.07 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 3gyr s ARG 492 CO 0.00 0.68 1.21 0.50 -0.81 0.00 0.00 175.30 176.88 3gyr s ARG 493 N -1.17 4.37 0.00 5.12 3.52 0.18 -0.68 118.95 130.28 3gyr s ARG 493 Ca 0.16 1.71 0.05 0.00 -0.13 0.00 0.00 55.73 57.52 3gyr s ARG 493 Cb -0.11 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.73 3gyr s ARG 493 CO 0.06 -0.41 0.30 0.25 -0.81 0.00 0.00 175.30 174.68 3gyr n THR 494 N 4.47 0.00 -3.61 4.11 -2.24 0.36 -4.96 114.28 112.41 3gyr n THR 494 Ca 0.11 -0.42 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 3gyr n THR 494 Cb 0.46 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.20 -1.86 0.00 6.98 0.00 -1.22 -4.85 121.76 119.61 3gyr s ALA 495 Ca 0.03 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.80 3gyr s ALA 495 Cb 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.15 3gyr s ALA 495 CO 0.16 -0.31 0.11 2.89 0.00 0.00 0.00 175.76 178.61 3gyr n ARG 496 N 2.02 2.41 -3.67 0.00 1.85 -1.26 -1.50 116.66 116.51 3gyr n ARG 496 Ca -0.14 -0.11 -0.10 0.00 -1.00 0.00 0.00 57.85 56.50 3gyr n ARG 496 Cb 0.56 -0.49 -0.03 0.00 -1.05 0.00 0.00 32.46 31.44 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 -0.38 0.02 0.20 8.89 -1.32 -1.26 -4.23 115.64 117.58 3gyr s THR 497 Ca 0.00 -0.62 -0.17 0.00 -1.21 0.00 0.00 61.69 59.69 3gyr s THR 497 Cb 0.00 -1.45 0.19 0.00 -1.51 0.00 0.00 72.50 69.73 3gyr s THR 497 CO 0.00 -0.11 1.61 0.15 -2.21 0.00 0.00 174.62 174.06 3gyr h PHE 498 N 2.16 -0.60 -0.13 9.09 3.04 -1.32 -2.09 116.94 127.10 3gyr h PHE 498 Ca -0.30 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.72 3gyr h PHE 498 Cb 1.27 0.35 0.00 0.00 2.56 0.00 0.00 35.95 40.13 3gyr h PHE 498 CO 0.33 -0.33 0.00 0.09 -2.02 0.00 0.00 178.31 176.38 3gyr n ASN 499 N -5.44 0.82 -4.72 0.41 5.03 -1.26 -4.61 115.26 105.49 3gyr n ASN 499 Ca 0.06 -1.84 -0.31 0.00 0.87 0.00 0.00 54.58 53.36 3gyr n ASN 499 Cb 0.34 -0.09 0.13 0.00 -1.02 0.00 0.00 39.78 39.15 3gyr n ASN 499 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3gyr s ASP 500 N -1.21 3.68 0.38 6.41 1.01 -0.79 -4.94 116.67 121.21 3gyr s ASP 500 Ca 0.18 1.93 -0.24 0.00 0.71 0.00 0.00 52.55 55.13 3gyr s ASP 500 Cb 0.09 -2.51 -0.13 0.00 1.01 0.00 0.00 42.92 41.38 3gyr s ASP 500 CO 0.13 -2.58 0.72 0.61 0.21 0.00 0.00 175.17 174.26 3gyr n GLY 501 N -0.58 -1.04 3.59 0.21 0.00 -1.26 -4.88 105.19 101.24 3gyr n GLY 501 Ca 0.10 0.14 -0.48 0.00 0.00 0.00 0.00 46.02 45.78 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 1.19 1.81 -0.08 0.99 7.94 -1.26 -4.91 117.00 122.68 3gyr n LEU 502 Ca 0.11 1.14 -0.15 0.00 -1.11 0.00 0.00 56.01 56.01 3gyr n LEU 502 Cb 0.37 -1.26 -0.05 0.00 0.53 0.00 0.00 43.42 43.01 3gyr n LEU 502 CO 0.56 -1.17 -0.88 0.61 -1.11 0.00 0.00 177.39 175.41 3gyr n GLY 503 N 2.01 -0.34 3.50 -3.96 0.00 -1.26 -4.98 105.19 100.15 3gyr n GLY 503 Ca 0.14 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.47 3.15 -0.08 1.61 0.08 -1.26 -5.04 117.98 113.98 3gyr s PHE 504 Ca -0.24 -0.24 0.03 0.00 0.12 0.00 0.00 56.93 56.60 3gyr s PHE 504 Cb 0.07 -2.97 -0.02 0.00 -0.57 0.00 0.00 43.02 39.54 3gyr s PHE 504 CO 0.32 -0.70 -0.18 0.99 -0.10 0.00 0.00 175.22 175.55 3gyr s THR 505 N 2.29 2.69 -0.05 0.64 2.01 -1.26 -1.86 115.64 120.10 3gyr s THR 505 Ca 0.15 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 3gyr s THR 505 Cb -0.16 -2.06 0.04 0.00 0.01 0.00 0.00 72.50 70.32 3gyr s THR 505 CO 0.14 0.56 0.10 -0.63 -0.69 0.00 0.00 174.62 174.10 3gyr s ILE 506 N -0.10 -0.06 0.04 1.82 1.01 -0.28 -4.97 121.20 118.66 3gyr s ILE 506 Ca -0.03 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 3gyr s ILE 506 Cb -0.14 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 42.10 3gyr s ILE 506 CO 0.04 0.08 1.19 -0.83 0.00 0.00 0.00 174.94 175.42 3gyr s GLY 507 N 1.17 2.37 0.21 6.18 0.00 -1.26 -1.88 107.32 114.11 3gyr s GLY 507 Ca -0.09 0.79 -0.32 0.00 0.00 0.00 0.00 44.72 45.11 3gyr s GLY 507 CO -0.05 2.06 1.29 -2.21 0.00 0.00 0.00 173.10 174.19 3gyr n GLU 508 N 4.18 1.61 -0.01 2.90 0.00 0.24 -2.11 120.64 127.46 3gyr n GLU 508 Ca 0.09 0.57 0.00 0.00 0.00 0.00 0.00 57.16 57.83 3gyr n GLU 508 Cb 0.47 -2.15 0.00 0.00 0.00 0.00 0.00 31.44 29.75 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 2.08 0.76 3.91 8.31 0.00 0.12 -4.51 105.19 115.87 3gyr n GLY 509 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.26 4.05 0.01 2.61 -4.23 -0.90 -4.74 115.64 110.18 3gyr s THR 510 Ca 0.00 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 3gyr s THR 510 Cb 0.00 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 3gyr s THR 510 CO 0.00 -0.62 0.04 -1.00 -0.54 0.00 0.00 174.62 172.50 3gyr s HIS 511 N -2.95 3.15 0.00 3.99 3.76 -1.26 -0.97 115.29 121.02 3gyr s HIS 511 Ca 0.52 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 3gyr s HIS 511 Cb -0.11 -1.68 -0.00 0.00 1.11 0.00 0.00 32.58 31.90 3gyr s HIS 511 CO 0.46 0.50 -0.00 -1.21 -0.85 0.00 0.00 174.74 173.64 3gyr s GLU 512 N -1.74 0.03 -0.21 1.40 2.02 -0.39 -1.57 118.70 118.25 3gyr s GLU 512 Ca 0.22 -0.06 -0.14 0.00 0.02 0.00 0.00 54.97 55.01 3gyr s GLU 512 Cb -0.12 0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.08 3gyr s GLU 512 CO 0.13 -0.00 0.31 -1.14 0.02 0.00 0.00 175.26 174.58 3gyr s GLN 513 N -0.15 4.14 -0.15 1.61 0.74 0.66 -1.72 119.66 124.79 3gyr s GLN 513 Ca -0.02 0.04 -0.03 0.00 0.05 0.00 0.00 55.36 55.40 3gyr s GLN 513 Cb -0.01 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 3gyr s GLN 513 CO -0.00 0.00 -0.04 -1.58 -0.55 0.00 0.00 175.29 173.12 3gyr s TRP 514 N 1.20 3.02 -0.20 1.67 0.52 0.21 -0.98 118.94 124.38 3gyr s TRP 514 Ca 0.15 -0.26 -0.05 0.00 0.02 0.00 0.00 56.10 55.95 3gyr s TRP 514 Cb -0.14 -1.93 -0.03 0.00 -1.15 0.00 0.00 33.47 30.22 3gyr s TRP 514 CO 0.07 0.01 0.01 0.99 0.02 0.00 0.00 176.95 178.04 3gyr s THR 515 N 0.24 4.07 -0.28 2.01 2.01 -0.13 -1.18 115.64 122.37 3gyr s THR 515 Ca -0.03 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 3gyr s THR 515 Cb -0.14 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 3gyr s THR 515 CO 0.03 0.43 0.19 -0.36 -0.69 0.00 0.00 174.62 174.22 3gyr s PHE 516 N 0.93 3.22 -0.37 4.92 0.40 0.09 -0.88 117.98 126.28 3gyr s PHE 516 Ca 0.02 0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.42 3gyr s PHE 516 Cb -0.14 -2.38 0.10 0.00 0.51 0.00 0.00 43.02 41.11 3gyr s PHE 516 CO 0.02 -0.18 0.13 -1.17 0.70 0.00 0.00 175.22 174.72 3gyr s LEU 517 N 1.75 4.94 -0.30 -0.37 2.96 0.21 -0.39 118.68 127.48 3gyr s LEU 517 Ca 0.07 -1.98 -0.24 0.00 -0.22 0.00 0.00 54.13 51.76 3gyr s LEU 517 Cb -0.16 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.78 3gyr s LEU 517 CO 0.11 -0.46 0.81 0.21 -1.32 0.00 0.00 176.35 175.69 3gyr s ASN 518 N 1.49 6.69 0.00 3.68 3.84 0.18 -0.41 114.94 130.41 3gyr s ASN 518 Ca 0.07 0.72 0.23 0.00 0.21 0.00 0.00 52.86 54.09 3gyr s ASN 518 Cb -0.21 -2.42 0.63 0.00 -0.55 0.00 0.00 41.25 38.70 3gyr s ASN 518 CO -0.05 -0.62 1.50 0.18 -2.79 0.00 0.00 177.10 175.32 3gyr n LEU 519 N 6.22 2.29 -4.63 3.21 4.32 0.73 -0.98 117.00 128.16 3gyr n LEU 519 Ca 0.04 -0.93 -0.25 0.00 -0.02 0.00 0.00 56.01 54.86 3gyr n LEU 519 Cb 0.48 -0.12 -0.09 0.00 -1.62 0.00 0.00 43.42 42.07 3gyr n LEU 519 CO 0.50 0.46 -0.29 -0.94 -1.22 0.00 0.00 177.39 175.91 3gyr s SER 520 N -1.64 4.13 0.00 -1.43 1.04 -1.26 -4.68 113.70 109.87 3gyr s SER 520 Ca 0.34 -1.06 0.31 0.00 0.48 0.00 0.00 55.95 56.02 3gyr s SER 520 Cb 0.20 -0.49 1.79 0.00 0.10 0.00 0.00 66.02 67.62 3gyr s SER 520 CO 0.29 -0.30 2.15 -0.81 0.98 0.00 0.00 173.24 175.55 3gyr n PRO 521 N -0.98 0.88 -4.27 4.02 -0.04 -1.26 -2.55 135.00 130.80 3gyr n PRO 521 Ca -0.04 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.10 3gyr n PRO 521 Cb 0.63 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 3gyr n PRO 521 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3gyr s ILE 522 N -2.09 4.07 -0.20 0.52 -4.36 -1.26 -4.46 121.20 113.41 3gyr s ILE 522 Ca 0.44 -0.71 -0.19 0.00 -0.26 0.00 0.00 60.65 59.93 3gyr s ILE 522 Cb 0.21 -2.84 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 3gyr s ILE 522 CO 0.37 0.32 0.57 -0.22 0.24 0.00 0.00 174.94 176.22 3gyr s LEU 523 N -1.70 4.14 -0.24 0.37 0.20 -1.26 -4.32 118.68 115.87 3gyr s LEU 523 Ca 0.21 0.75 -0.00 0.00 0.69 0.00 0.00 54.13 55.77 3gyr s LEU 523 Cb -0.11 -2.79 0.03 0.00 -0.43 0.00 0.00 46.19 42.88 3gyr s LEU 523 CO 0.12 -0.22 -0.09 -1.00 -0.29 0.00 0.00 176.35 174.86 3gyr s HIS 524 N 1.77 3.05 -0.74 5.38 3.76 -0.49 -4.94 115.29 123.09 3gyr s HIS 524 Ca 0.26 -1.71 -0.26 0.00 -0.15 0.00 0.00 55.06 53.20 3gyr s HIS 524 Cb -0.16 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.52 3gyr s HIS 524 CO 0.10 -0.77 1.59 -1.25 -0.85 0.00 0.00 174.74 173.56 3gyr s PRO 525 N 1.28 2.95 0.25 8.40 0.04 -1.26 -1.69 135.00 144.97 3gyr s PRO 525 Ca -0.01 -0.03 -0.26 0.00 0.04 0.00 0.00 61.00 60.74 3gyr s PRO 525 Cb -0.17 -4.50 -0.09 0.00 0.04 0.00 0.00 34.50 29.79 3gyr s PRO 525 CO -0.06 -2.51 0.87 -1.64 0.04 0.00 0.00 177.00 173.70 3gyr s MET 526 N 6.28 4.62 -0.04 4.56 -1.94 -0.39 -0.80 119.30 131.58 3gyr s MET 526 Ca 0.52 1.27 0.03 0.00 -1.71 0.00 0.00 55.69 55.80 3gyr s MET 526 Cb -0.09 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 33.70 3gyr s MET 526 CO 0.12 0.43 -0.11 -1.58 -0.01 0.00 0.00 175.02 173.87 3gyr s HIS 527 N -1.37 1.22 -0.15 -0.03 5.04 0.11 -1.78 115.29 118.34 3gyr s HIS 527 Ca 0.43 -0.35 0.01 0.00 -1.54 0.00 0.00 55.06 53.62 3gyr s HIS 527 Cb -0.22 -0.87 0.01 0.00 0.04 0.00 0.00 32.58 31.54 3gyr s HIS 527 CO 0.26 -0.15 -0.19 0.42 -2.34 0.00 0.00 174.74 172.75 3gyr s ILE 528 N 0.27 2.34 0.89 0.89 1.01 -0.87 -1.87 121.20 123.87 3gyr s ILE 528 Ca -0.06 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 3gyr s ILE 528 Cb -0.11 -1.97 0.13 0.00 0.01 0.00 0.00 42.46 40.52 3gyr s ILE 528 CO 0.01 0.53 1.09 -1.00 0.00 0.00 0.00 174.94 175.58 3gyr s HIS 529 N 0.86 2.34 0.00 3.97 3.76 -0.79 -4.19 115.29 121.23 3gyr s HIS 529 Ca -0.05 1.25 0.00 0.00 -0.15 0.00 0.00 55.06 56.11 3gyr s HIS 529 Cb -0.15 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.38 3gyr s HIS 529 CO -0.02 -2.37 0.00 -0.11 -0.85 0.00 0.00 174.74 171.39 3gyr n LEU 530 N -3.86 0.00 -4.91 0.89 7.94 -1.26 -4.93 117.00 110.87 3gyr n LEU 530 Ca 0.07 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.73 3gyr n LEU 530 Cb 0.55 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.47 3gyr n LEU 530 CO 0.56 0.00 -0.11 0.00 -1.11 0.00 0.00 177.39 176.73 3gyr s ALA 531 N 0.00 3.85 -0.09 1.96 0.00 -1.26 -4.23 121.76 121.98 3gyr s ALA 531 Ca 0.00 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.63 3gyr s ALA 531 Cb 0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 3gyr s ALA 531 CO 0.00 0.41 0.41 -0.51 0.00 0.00 0.00 175.76 176.07 3gyr s ASP 532 N -3.51 6.66 0.30 0.00 1.01 -1.26 -4.74 116.67 115.13 3gyr s ASP 532 Ca 0.34 0.79 0.10 0.00 0.71 0.00 0.00 52.55 54.48 3gyr s ASP 532 Cb -0.10 -2.25 -0.06 0.00 1.01 0.00 0.00 42.92 41.52 3gyr s ASP 532 CO 0.27 0.12 -0.14 -0.36 0.21 0.00 0.00 175.17 175.28 3gyr s PHE 533 N 0.09 2.26 0.08 4.23 0.40 -0.60 -3.76 117.98 120.69 3gyr s PHE 533 Ca 0.23 -0.46 0.09 0.00 -0.60 0.00 0.00 56.93 56.20 3gyr s PHE 533 Cb -0.15 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 3gyr s PHE 533 CO 0.10 0.59 -0.25 -0.65 0.70 0.00 0.00 175.22 175.71 3gyr s GLN 534 N -3.58 1.52 -0.14 0.44 -0.21 0.14 -1.14 119.66 116.68 3gyr s GLN 534 Ca 0.30 -1.16 -0.29 0.00 0.02 0.00 0.00 55.36 54.23 3gyr s GLN 534 Cb -0.01 -1.79 -0.01 0.00 1.00 0.00 0.00 33.01 32.20 3gyr s GLN 534 CO 0.15 0.45 1.07 0.08 -2.12 0.00 0.00 175.29 174.92 3gyr s VAL 535 N -0.93 4.62 -0.17 1.09 1.01 -1.26 -1.12 120.40 123.64 3gyr s VAL 535 Ca 0.11 1.92 0.06 0.00 0.00 0.00 0.00 61.98 64.06 3gyr s VAL 535 Cb -0.10 -4.23 -0.23 0.00 0.00 0.00 0.00 36.38 31.82 3gyr s VAL 535 CO 0.03 -0.06 0.18 0.18 0.00 0.00 0.00 175.10 175.43 3gyr n LEU 536 N 5.57 1.76 -3.63 3.92 4.77 0.17 -4.95 117.00 124.60 3gyr n LEU 536 Ca 0.11 0.10 -0.03 0.00 -0.03 0.00 0.00 56.01 56.15 3gyr n LEU 536 Cb 0.47 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3gyr n LEU 536 CO 0.53 0.70 1.11 -0.83 -1.33 0.00 0.00 177.39 177.57 3gyr s GLY 537 N -5.75 0.01 0.00 -0.72 0.00 -1.14 -5.00 107.32 94.72 3gyr s GLY 537 Ca -0.20 2.61 0.06 0.00 0.00 0.00 0.00 44.72 47.19 3gyr s GLY 537 CO 0.74 1.03 -0.17 0.50 0.00 0.00 0.00 173.10 175.20 3gyr s ARG 538 N -1.18 1.33 -0.00 2.90 0.52 -1.26 -0.60 118.95 120.65 3gyr s ARG 538 Ca 0.08 -0.69 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 3gyr s ARG 538 Cb -0.01 -1.32 -0.00 0.00 0.52 0.00 0.00 34.95 34.14 3gyr s ARG 538 CO -0.06 0.35 -0.05 -0.51 0.02 0.00 0.00 175.30 175.05 3gyr s ASP 539 N -0.63 0.56 0.40 0.23 1.11 -0.56 -4.29 116.67 113.49 3gyr s ASP 539 Ca 0.06 -0.11 -0.19 0.00 0.18 0.00 0.00 52.55 52.49 3gyr s ASP 539 Cb -0.07 -0.05 -0.10 0.00 1.07 0.00 0.00 42.92 43.76 3gyr s ASP 539 CO 0.00 0.04 0.89 0.00 1.18 0.00 0.00 175.17 177.28 3gyr s ALA 540 N -0.18 3.12 0.10 5.23 0.00 -1.26 -0.44 121.76 128.32 3gyr s ALA 540 Ca 0.01 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.33 3gyr s ALA 540 Cb -0.02 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 3gyr s ALA 540 CO -0.00 0.18 -0.16 0.71 0.00 0.00 0.00 175.76 176.49 3gyr s TYR 541 N -2.13 1.42 -0.26 0.00 2.02 -1.13 -1.57 117.35 115.70 3gyr s TYR 541 Ca 0.60 -0.48 -0.20 0.00 -0.37 0.00 0.00 57.07 56.61 3gyr s TYR 541 Cb -0.09 -0.77 -0.02 0.00 -0.40 0.00 0.00 41.96 40.68 3gyr s TYR 541 CO 0.15 0.12 0.64 0.34 -1.57 0.00 0.00 175.55 175.23 3gyr s ASP 542 N -2.02 6.58 0.00 2.29 -1.08 0.87 -4.71 116.67 118.60 3gyr s ASP 542 Ca 0.04 0.70 0.06 0.00 -0.52 0.00 0.00 52.55 52.83 3gyr s ASP 542 Cb -0.08 -2.34 0.16 0.00 -1.46 0.00 0.00 42.92 39.20 3gyr s ASP 542 CO 0.03 -0.38 1.10 0.00 0.52 0.00 0.00 175.17 176.44 3gyr n ALA 543 N 5.73 2.13 0.29 3.66 0.00 -1.26 -0.73 120.51 130.34 3gyr n ALA 543 Ca -0.00 -1.03 0.11 0.00 0.00 0.00 0.00 53.44 52.51 3gyr n ALA 543 Cb 0.49 -0.24 0.50 0.00 0.00 0.00 0.00 19.45 20.20 3gyr n ALA 543 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gyr n SER 544 N 0.09 0.58 0.04 0.00 3.41 -1.26 -1.09 113.62 115.38 3gyr n SER 544 Ca 0.06 0.69 0.04 0.00 -0.26 0.00 0.00 58.87 59.40 3gyr n SER 544 Cb 0.33 -0.79 0.20 0.00 -0.26 0.00 0.00 64.21 63.69 3gyr n SER 544 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gyr n GLY 545 N -0.56 -0.72 3.61 5.00 0.00 -1.26 -4.74 105.19 106.52 3gyr n GLY 545 Ca 0.01 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.12 3.24 -0.43 1.61 2.19 -0.25 -0.64 117.98 120.58 3gyr s PHE 546 Ca 0.01 0.74 -0.20 0.00 0.33 0.00 0.00 56.93 57.81 3gyr s PHE 546 Cb 0.04 -2.99 0.02 0.00 -1.31 0.00 0.00 43.02 38.78 3gyr s PHE 546 CO 0.12 -0.44 0.62 0.34 1.83 0.00 0.00 175.22 177.68 3gyr s ASP 547 N 1.56 6.32 0.16 6.13 -1.08 0.98 -4.92 116.67 125.83 3gyr s ASP 547 Ca 0.28 -0.33 -0.15 0.00 -0.52 0.00 0.00 52.55 51.83 3gyr s ASP 547 Cb -0.15 -2.31 0.05 0.00 -1.46 0.00 0.00 42.92 39.06 3gyr s ASP 547 CO 0.11 -0.74 1.81 -0.07 0.52 0.00 0.00 175.17 176.80 3gyr h LEU 548 N 9.59 0.45 -1.73 -1.34 3.38 -1.90 0.46 115.31 124.22 3gyr h LEU 548 Ca -0.26 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3gyr h LEU 548 Cb 1.10 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3gyr h LEU 548 CO 0.88 0.33 -0.12 0.00 0.09 0.00 0.00 178.44 179.61 3gyr h ALA 549 N 1.19 1.16 0.06 1.53 0.00 -1.91 -1.51 119.26 119.77 3gyr h ALA 549 Ca 0.17 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.65 3gyr h ALA 549 Cb -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3gyr h ALA 549 CO -0.07 0.16 -1.84 -0.11 0.00 0.00 0.00 179.25 177.39 3gyr n LEU 550 N -3.47 1.66 -1.45 0.00 7.94 -0.75 -4.74 117.00 116.19 3gyr n LEU 550 Ca -0.01 0.33 -0.10 0.00 -1.11 0.00 0.00 56.01 55.12 3gyr n LEU 550 Cb 0.28 -0.40 0.02 0.00 0.53 0.00 0.00 43.42 43.84 3gyr n LEU 550 CO 0.30 0.60 -0.00 0.61 -1.11 0.00 0.00 177.39 177.78 3gyr n GLY 551 N 1.75 0.15 3.72 -3.96 0.00 0.15 -4.22 105.19 102.78 3gyr n GLY 551 Ca -0.23 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.86 0.35 0.04 -0.02 0.00 -1.19 0.67 107.32 104.31 3gyr s GLY 552 Ca 0.13 -0.69 -0.25 0.00 0.00 0.00 0.00 44.72 43.91 3gyr s GLY 552 CO 0.16 -0.40 0.77 -0.51 0.00 0.00 0.00 173.10 173.12 3gyr s THR 553 N -3.62 4.73 -0.10 0.90 -4.23 -0.41 -0.01 115.64 112.90 3gyr s THR 553 Ca 0.18 1.64 -0.02 0.00 -1.18 0.00 0.00 61.69 62.30 3gyr s THR 553 Cb -0.03 -4.12 -0.01 0.00 1.34 0.00 0.00 72.50 69.68 3gyr s THR 553 CO 0.10 0.36 -0.04 0.03 -0.54 0.00 0.00 174.62 174.52 3gyr h ARG 554 N 5.68 0.00 -6.10 3.99 3.08 -1.24 -3.42 114.38 116.38 3gyr h ARG 554 Ca -0.44 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 58.94 3gyr h ARG 554 Cb 1.21 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.12 3gyr h ARG 554 CO 0.71 0.00 -0.63 -0.08 -1.07 0.00 0.00 179.97 178.90 3gyr s THR 555 N -1.66 4.26 0.55 2.04 -1.32 -1.22 -4.91 115.64 113.38 3gyr s THR 555 Ca -0.03 -0.50 -0.20 0.00 -1.21 0.00 0.00 61.69 59.74 3gyr s THR 555 Cb 0.00 -2.88 -0.06 0.00 -1.51 0.00 0.00 72.50 68.05 3gyr s THR 555 CO 0.05 0.42 1.01 -2.65 -2.21 0.00 0.00 174.62 171.24 3gyr n PRO 556 N 1.53 1.10 -2.02 7.08 -0.02 -1.26 -4.07 135.00 137.33 3gyr n PRO 556 Ca -0.15 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 3gyr n PRO 556 Cb 0.53 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3gyr n PRO 556 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gyr s VAL 557 N -1.44 2.82 -0.18 -1.45 1.01 -0.26 -4.54 120.40 116.36 3gyr s VAL 557 Ca 0.72 0.61 -0.00 0.00 0.00 0.00 0.00 61.98 63.31 3gyr s VAL 557 Cb -0.45 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3gyr s VAL 557 CO 0.50 0.06 -0.16 -0.13 0.00 0.00 0.00 175.10 175.37 3gyr s ARG 558 N 0.73 3.09 0.32 2.72 0.52 0.09 0.55 118.95 126.97 3gyr s ARG 558 Ca 0.66 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.79 3gyr s ARG 558 Cb -0.41 -2.66 -0.12 0.00 0.52 0.00 0.00 34.95 32.28 3gyr s ARG 558 CO 0.34 -0.18 1.54 -0.11 0.02 0.00 0.00 175.30 176.91 3gyr n LEU 559 N 4.58 4.41 -4.09 2.53 0.00 -0.67 -0.09 117.00 123.67 3gyr n LEU 559 Ca -0.20 1.17 -0.36 0.00 0.00 0.00 0.00 56.01 56.62 3gyr n LEU 559 Cb 0.50 -1.59 -0.10 0.00 0.00 0.00 0.00 43.42 42.23 3gyr n LEU 559 CO 0.27 0.10 -0.00 -0.62 0.00 0.00 0.00 177.39 177.14 3gyr s ASP 560 N 0.26 5.17 0.00 1.96 2.15 -0.61 -4.79 116.67 120.81 3gyr s ASP 560 Ca 0.60 -2.78 0.28 0.00 0.43 0.00 0.00 52.55 51.08 3gyr s ASP 560 Cb -0.50 -1.84 1.29 0.00 -0.30 0.00 0.00 42.92 41.58 3gyr s ASP 560 CO 0.54 -0.38 1.92 -0.81 -0.17 0.00 0.00 175.17 176.27 3gyr n PRO 561 N 3.58 0.22 -0.38 4.34 -0.05 -1.26 -2.37 135.00 139.07 3gyr n PRO 561 Ca 0.07 0.03 0.07 0.00 -0.05 0.00 0.00 63.50 63.61 3gyr n PRO 561 Cb 0.38 -1.50 0.24 0.00 -0.05 0.00 0.00 33.50 32.57 3gyr n PRO 561 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 3gyr n ASP 562 N -1.38 3.22 -3.90 3.54 5.68 -1.26 -4.37 116.55 118.07 3gyr n ASP 562 Ca 0.10 -2.24 -0.30 0.00 -0.50 0.00 0.00 54.79 51.86 3gyr n ASP 562 Cb 0.27 -0.44 -0.14 0.00 -1.14 0.00 0.00 41.12 39.67 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 -1.66 2.43 0.44 2.12 2.01 -1.00 -5.10 115.64 114.87 3gyr s THR 563 Ca 0.34 -3.33 -0.25 0.00 0.31 0.00 0.00 61.69 58.76 3gyr s THR 563 Cb 0.21 -2.68 -0.08 0.00 0.01 0.00 0.00 72.50 69.96 3gyr s THR 563 CO 0.18 -0.85 1.34 -2.84 -0.69 0.00 0.00 174.62 171.76 3gyr s PRO 564 N -0.35 3.79 -0.46 4.92 0.02 -1.26 -4.11 135.00 137.55 3gyr s PRO 564 Ca 0.18 2.22 -0.01 0.00 0.02 0.00 0.00 61.00 63.41 3gyr s PRO 564 Cb -0.23 -2.66 0.12 0.00 0.02 0.00 0.00 34.50 31.76 3gyr s PRO 564 CO -0.02 -0.66 0.25 0.08 -0.33 0.00 0.00 177.00 176.31 3gyr s VAL 565 N -1.27 3.20 0.57 3.83 1.01 -1.26 -4.94 120.40 121.54 3gyr s VAL 565 Ca 0.60 -2.43 -0.20 0.00 0.00 0.00 0.00 61.98 59.95 3gyr s VAL 565 Cb -0.39 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3gyr s VAL 565 CO 0.50 -0.74 1.24 -2.16 0.00 0.00 0.00 175.10 173.95 3gyr s PRO 566 N 0.69 3.06 0.35 2.72 0.04 -1.26 -4.48 135.00 136.12 3gyr s PRO 566 Ca 0.12 1.92 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 3gyr s PRO 566 Cb -0.22 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 3gyr s PRO 566 CO -0.04 -1.16 1.25 -0.51 0.04 0.00 0.00 177.00 176.58 3gyr s LEU 567 N -3.86 4.35 0.46 -3.56 1.43 -1.26 -4.97 118.68 111.27 3gyr s LEU 567 Ca 0.75 2.57 -0.24 0.00 -1.03 0.00 0.00 54.13 56.18 3gyr s LEU 567 Cb -0.33 -3.77 -0.07 0.00 0.03 0.00 0.00 46.19 42.05 3gyr s LEU 567 CO 0.37 -0.58 1.28 0.00 0.23 0.00 0.00 176.35 177.65 3gyr s ALA 568 N -1.22 3.04 -0.23 4.21 0.00 -1.26 -4.90 121.76 121.41 3gyr s ALA 568 Ca 0.52 1.18 0.28 0.00 0.00 0.00 0.00 51.96 53.93 3gyr s ALA 568 Cb -0.37 -3.48 1.16 0.00 0.00 0.00 0.00 23.12 20.43 3gyr s ALA 568 CO 0.48 -0.94 1.83 -1.00 0.00 0.00 0.00 175.76 176.13 3gyr h PRO 569 N 2.12 0.00 -0.63 0.00 0.13 -1.95 -2.57 132.00 129.10 3gyr h PRO 569 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3gyr h PRO 569 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3gyr h PRO 569 CO 0.60 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.64 3gyr n ASN 570 N -2.60 3.40 -0.99 1.44 6.94 -1.26 -4.28 115.26 117.91 3gyr n ASN 570 Ca 0.01 -2.01 -0.01 0.00 -0.02 0.00 0.00 54.58 52.55 3gyr n ASN 570 Cb 0.26 -0.43 0.20 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 1.33 1.80 -0.48 -3.83 0.28 -0.97 -4.57 120.64 114.21 3gyr n GLU 571 Ca 0.21 -3.19 0.10 0.00 -0.16 0.00 0.00 57.16 54.11 3gyr n GLU 571 Cb 0.54 -1.76 0.32 0.00 1.43 0.00 0.00 31.44 31.97 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 -1.11 4.24 0.00 -1.84 4.77 -1.26 -4.32 117.00 117.48 3gyr n LEU 572 Ca 0.29 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 3gyr n LEU 572 Cb 0.94 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3gyr n LEU 572 CO 0.13 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 3gyr n GLY 573 N 1.13 2.40 3.66 -0.72 0.00 -1.26 -4.78 105.19 105.63 3gyr n GLY 573 Ca 0.23 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 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 4.76 3.34 0.10 1.61 3.76 -1.26 -4.58 115.29 123.02 3gyr s HIS 574 Ca 0.00 0.46 0.07 0.00 -0.15 0.00 0.00 55.06 55.44 3gyr s HIS 574 Cb 0.00 -2.45 -0.03 0.00 1.11 0.00 0.00 32.58 31.21 3gyr s HIS 574 CO 0.00 -0.01 -0.16 0.15 -0.85 0.00 0.00 174.74 173.86 3gyr s LYS 575 N 1.32 1.01 0.00 1.40 -0.14 -0.30 -0.72 119.74 122.31 3gyr s LYS 575 Ca 0.15 -1.14 0.00 0.00 -1.36 0.00 0.00 55.97 53.62 3gyr s LYS 575 Cb -0.14 -1.06 0.00 0.00 -1.68 0.00 0.00 37.83 34.95 3gyr s LYS 575 CO 0.07 0.23 0.18 -0.40 -0.76 0.00 0.00 175.35 174.67 3gyr n ASP 576 N 0.92 0.36 -3.40 2.83 5.68 -1.26 -1.56 116.55 120.13 3gyr n ASP 576 Ca -0.18 -0.93 -0.18 0.00 -0.50 0.00 0.00 54.79 53.00 3gyr n ASP 576 Cb 0.55 0.04 -0.09 0.00 -1.14 0.00 0.00 41.12 40.47 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 -0.04 -0.37 0.02 2.12 1.01 -1.26 -2.06 120.40 119.83 3gyr s VAL 577 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3gyr s VAL 577 Cb 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3gyr s VAL 577 CO 0.00 -0.51 -0.02 -0.36 0.00 0.00 0.00 175.10 174.22 3gyr s PHE 578 N 2.15 3.01 0.31 5.22 0.08 -0.73 -4.67 117.98 123.35 3gyr s PHE 578 Ca 0.11 0.03 -0.28 0.00 0.12 0.00 0.00 56.93 56.91 3gyr s PHE 578 Cb -0.14 -1.63 -0.09 0.00 -0.57 0.00 0.00 43.02 40.59 3gyr s PHE 578 CO -0.27 0.45 1.04 -0.65 -0.10 0.00 0.00 175.22 175.68 3gyr s GLN 579 N -1.69 4.54 -0.42 0.44 -0.21 -1.26 -1.27 119.66 119.80 3gyr s GLN 579 Ca 0.20 1.61 0.02 0.00 0.02 0.00 0.00 55.36 57.21 3gyr s GLN 579 Cb -0.11 -2.98 0.14 0.00 1.00 0.00 0.00 33.01 31.05 3gyr s GLN 579 CO 0.11 0.18 0.23 0.08 -2.12 0.00 0.00 175.29 173.77 3gyr s VAL 580 N -1.35 1.18 1.10 1.09 1.01 -0.68 -4.91 120.40 117.84 3gyr s VAL 580 Ca 0.48 -2.38 -0.16 0.00 0.00 0.00 0.00 61.98 59.92 3gyr s VAL 580 Cb -0.27 -1.83 0.24 0.00 0.00 0.00 0.00 36.38 34.52 3gyr s VAL 580 CO 0.34 -0.90 1.10 -2.84 0.00 0.00 0.00 175.10 172.79 3gyr s PRO 581 N 0.51 -0.40 0.14 2.72 0.02 -1.26 -1.39 135.00 135.32 3gyr s PRO 581 Ca 0.17 0.23 -0.07 0.00 0.02 0.00 0.00 61.00 61.36 3gyr s PRO 581 Cb -0.24 -1.66 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 3gyr s PRO 581 CO 0.00 -3.23 0.22 0.20 -0.33 0.00 0.00 177.00 173.86 3gyr s GLY 582 N -3.64 0.47 -0.11 0.52 0.00 -1.23 -3.73 107.32 99.59 3gyr s GLY 582 Ca 0.68 -0.93 -0.30 0.00 0.00 0.00 0.00 44.72 44.18 3gyr s GLY 582 CO 0.57 -0.93 1.19 2.56 0.00 0.00 0.00 173.10 176.49 3gyr s PRO 583 N -3.95 4.31 0.19 2.90 0.04 -1.06 -4.32 135.00 133.11 3gyr s PRO 583 Ca 0.15 1.62 -0.23 0.00 0.04 0.00 0.00 61.00 62.58 3gyr s PRO 583 Cb 0.04 -3.64 0.06 0.00 0.04 0.00 0.00 34.50 31.00 3gyr s PRO 583 CO -0.03 -0.54 0.67 -0.65 0.04 0.00 0.00 177.00 176.49 3gyr s GLN 584 N 2.74 1.42 0.05 4.56 -0.21 -0.15 -2.82 119.66 125.25 3gyr s GLN 584 Ca 0.54 -0.64 0.09 0.00 0.02 0.00 0.00 55.36 55.37 3gyr s GLN 584 Cb -0.22 0.58 -0.03 0.00 1.00 0.00 0.00 33.01 34.34 3gyr s GLN 584 CO 0.18 -0.63 -0.25 0.20 -2.12 0.00 0.00 175.29 172.67 3gyr s GLY 585 N -2.80 1.32 -0.05 3.09 0.00 0.41 0.51 107.32 109.81 3gyr s GLY 585 Ca 0.05 -1.22 0.03 0.00 0.00 0.00 0.00 44.72 43.58 3gyr s GLY 585 CO -0.06 -1.13 -0.15 -2.27 0.00 0.00 0.00 173.10 169.50 3gyr s LEU 586 N -1.30 1.81 -0.29 0.66 2.96 0.47 -1.49 118.68 121.50 3gyr s LEU 586 Ca 0.10 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.64 3gyr s LEU 586 Cb -0.10 -0.90 0.02 0.00 0.50 0.00 0.00 46.19 45.72 3gyr s LEU 586 CO 0.02 0.10 0.04 -0.13 -1.32 0.00 0.00 176.35 175.06 3gyr s ARG 587 N 0.31 2.93 0.15 1.98 0.52 0.23 -0.73 118.95 124.33 3gyr s ARG 587 Ca -0.09 -0.95 0.10 0.00 -0.52 0.00 0.00 55.73 54.27 3gyr s ARG 587 Cb -0.13 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 3gyr s ARG 587 CO 0.03 -0.47 -0.18 0.14 0.02 0.00 0.00 175.30 174.84 3gyr s VAL 588 N 1.43 2.76 0.03 3.52 -7.23 -0.33 0.43 120.40 121.01 3gyr s VAL 588 Ca 0.01 -1.69 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 3gyr s VAL 588 Cb -0.17 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 3gyr s VAL 588 CO 0.00 -0.01 -0.13 -0.32 -0.31 0.00 0.00 175.10 174.34 3gyr s MET 589 N -2.43 0.90 -0.03 4.82 1.75 -0.27 -0.61 119.30 123.42 3gyr s MET 589 Ca 0.20 -0.67 -0.22 0.00 -1.25 0.00 0.00 55.69 53.75 3gyr s MET 589 Cb -0.09 -0.89 0.04 0.00 2.84 0.00 0.00 34.83 36.73 3gyr s MET 589 CO 0.11 0.22 0.48 0.20 -0.65 0.00 0.00 175.02 175.39 3gyr s GLY 590 N -0.94 -0.35 -0.24 2.11 0.00 -0.70 -0.68 107.32 106.52 3gyr s GLY 590 Ca 0.02 0.77 -0.12 0.00 0.00 0.00 0.00 44.72 45.39 3gyr s GLY 590 CO 0.01 0.49 0.24 1.25 0.00 0.00 0.00 173.10 175.09 3gyr s LYS 591 N -1.33 4.08 -0.86 2.90 2.20 -1.25 -1.26 119.74 124.22 3gyr s LYS 591 Ca -0.12 -0.13 -0.17 0.00 -0.36 0.00 0.00 55.97 55.19 3gyr s LYS 591 Cb -0.03 -3.56 0.17 0.00 -1.51 0.00 0.00 37.83 32.90 3gyr s LYS 591 CO 0.06 -0.02 0.94 -0.06 -0.36 0.00 0.00 175.35 175.91 3gyr s PHE 592 N 1.30 3.40 -0.01 4.03 0.08 -0.14 -4.49 117.98 122.14 3gyr s PHE 592 Ca 0.11 -1.64 0.04 0.00 0.12 0.00 0.00 56.93 55.56 3gyr s PHE 592 Cb -0.14 -4.06 -0.01 0.00 -0.57 0.00 0.00 43.02 38.24 3gyr s PHE 592 CO 0.07 -1.25 -0.12 0.34 -0.10 0.00 0.00 175.22 174.15 3gyr s ASP 593 N 2.96 1.43 0.00 1.36 2.15 -1.26 0.16 116.67 123.48 3gyr s ASP 593 Ca 0.25 -0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.01 3gyr s ASP 593 Cb -0.08 -0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.37 3gyr s ASP 593 CO -0.08 0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.67 3gyr n GLY 594 N 2.80 0.71 3.62 2.66 0.00 -1.26 -4.95 105.19 108.77 3gyr n GLY 594 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.08 -2.56 0.18 4.61 0.00 -1.26 -4.74 121.76 115.91 3gyr s ALA 595 Ca 0.00 0.87 0.02 0.00 0.00 0.00 0.00 51.96 52.84 3gyr s ALA 595 Cb 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 3gyr s ALA 595 CO 0.00 -1.08 0.02 0.71 0.00 0.00 0.00 175.76 175.41 3gyr s TYR 596 N -2.01 1.24 -1.62 0.00 2.02 -1.26 -4.87 117.35 110.86 3gyr s TYR 596 Ca 0.17 -1.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 3gyr s TYR 596 Cb 0.07 -0.71 0.00 0.00 -0.40 0.00 0.00 41.96 40.92 3gyr s TYR 596 CO -0.06 -0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.08 3gyr n GLY 597 N -0.27 0.62 3.73 0.71 0.00 -0.31 0.11 105.19 109.78 3gyr n GLY 597 Ca -0.05 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.65 3.87 0.33 1.61 3.52 -1.26 -1.07 118.95 125.31 3gyr s ARG 598 Ca 0.00 -0.25 0.04 0.00 -0.13 0.00 0.00 55.73 55.39 3gyr s ARG 598 Cb 0.00 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 3gyr s ARG 598 CO 0.00 0.42 0.18 -0.06 -0.81 0.00 0.00 175.30 175.03 3gyr s PHE 599 N -0.03 1.67 0.17 5.12 0.08 0.49 -4.59 117.98 120.89 3gyr s PHE 599 Ca 0.08 -1.41 0.11 0.00 0.12 0.00 0.00 56.93 55.83 3gyr s PHE 599 Cb -0.12 -0.89 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 3gyr s PHE 599 CO 0.00 -0.54 -0.23 -1.64 -0.10 0.00 0.00 175.22 172.70 3gyr s MET 600 N -3.72 1.42 0.05 0.44 -1.94 -1.26 -1.18 119.30 113.12 3gyr s MET 600 Ca 0.34 -1.44 0.02 0.00 -1.71 0.00 0.00 55.69 52.90 3gyr s MET 600 Cb 0.04 -1.73 -0.03 0.00 2.01 0.00 0.00 34.83 35.12 3gyr s MET 600 CO 0.19 0.38 -0.07 1.52 -0.01 0.00 0.00 175.02 177.03 3gyr s TYR 601 N -1.58 0.70 0.04 -0.03 -0.85 0.11 -1.89 117.35 113.85 3gyr s TYR 601 Ca 0.17 -0.60 -0.27 0.00 -0.52 0.00 0.00 57.07 55.85 3gyr s TYR 601 Cb -0.08 -0.42 0.10 0.00 0.38 0.00 0.00 41.96 41.94 3gyr s TYR 601 CO 0.08 -0.11 1.20 -3.38 -1.52 0.00 0.00 175.55 171.83 3gyr s HIS 602 N -1.91 -0.00 0.34 -3.49 -3.43 -0.78 -0.49 115.29 105.52 3gyr s HIS 602 Ca -0.05 -0.18 -0.25 0.00 -0.80 0.00 0.00 55.06 53.77 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 -0.01 -0.46 0.95 0.00 -2.00 0.00 0.00 174.74 173.22 3gyr n HIS 604 N 0.39 1.25 -2.37 0.00 -0.00 0.02 -4.42 115.22 110.08 3gyr n HIS 604 Ca 0.03 -0.58 -0.43 0.00 0.46 0.00 0.00 57.72 57.20 3gyr n HIS 604 Cb 0.51 -0.15 -0.02 0.00 -0.12 0.00 0.00 29.99 30.20 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 -1.55 3.66 0.35 0.27 1.43 -1.26 -4.69 118.68 116.88 3gyr s LEU 605 Ca 0.49 0.90 0.07 0.00 -1.03 0.00 0.00 54.13 54.55 3gyr s LEU 605 Cb 0.29 -3.54 0.75 0.00 0.03 0.00 0.00 46.19 43.72 3gyr s LEU 605 CO 0.27 -1.35 1.91 -0.07 0.23 0.00 0.00 176.35 177.34 3gyr h LEU 606 N 11.86 0.69 -0.74 1.79 3.38 -1.37 0.06 115.31 130.98 3gyr h LEU 606 Ca -0.27 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3gyr h LEU 606 Cb 1.10 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 3gyr h LEU 606 CO 1.08 0.40 0.31 -0.33 0.09 0.00 0.00 178.44 179.98 3gyr h GLU 607 N 0.76 1.09 -0.22 1.13 3.07 -1.91 0.86 114.58 119.36 3gyr h GLU 607 Ca 0.39 -0.19 -0.14 0.00 -0.50 0.00 0.00 59.36 58.92 3gyr h GLU 607 Cb 0.48 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 3gyr h GLU 607 CO -0.16 0.89 -0.43 0.45 -1.40 0.00 0.00 179.01 178.36 3gyr h HIS 608 N 1.05 0.66 -0.25 4.33 3.86 -1.61 -2.80 115.15 120.38 3gyr h HIS 608 Ca 0.25 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3gyr h HIS 608 Cb 0.19 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 3gyr h HIS 608 CO 0.02 0.89 0.13 1.49 0.86 0.00 0.00 177.93 181.31 3gyr h GLU 609 N 0.45 0.36 0.00 2.45 4.81 -0.57 -1.95 114.58 120.13 3gyr h GLU 609 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3gyr h GLU 609 Cb 0.94 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3gyr h GLU 609 CO 0.08 0.35 0.00 -0.44 -0.73 0.00 0.00 179.01 178.27 3gyr h ASP 610 N 0.28 0.00 -1.06 1.04 3.32 -0.82 -2.97 116.42 116.22 3gyr h ASP 610 Ca 0.09 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.50 3gyr h ASP 610 Cb 0.10 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.31 3gyr h ASP 610 CO -0.01 0.00 0.23 0.23 -1.72 0.00 0.00 179.24 177.96 3gyr n MET 611 N -2.54 3.06 -0.17 3.56 2.81 -0.85 -4.57 117.12 118.41 3gyr n MET 611 Ca 0.00 -3.69 0.00 0.00 -1.81 0.00 0.00 57.70 52.21 3gyr n MET 611 Cb 0.19 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.42 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 -0.78 1.18 2.65 3.03 0.00 -1.12 -4.96 105.19 105.19 3gyr n GLY 612 Ca 0.54 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.15 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 3.17 -3.61 1.61 0.00 -0.79 -2.82 117.12 112.67 3gyr n MET 613 Ca 0.00 -2.64 -0.13 0.00 -0.00 0.00 0.00 57.70 54.93 3gyr n MET 613 Cb 0.00 -3.13 -0.07 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 2.54 0.73 0.02 2.12 0.00 -1.26 -2.16 119.30 121.29 3gyr s MET 614 Ca 0.51 0.69 0.00 0.00 0.00 0.00 0.00 55.69 56.89 3gyr s MET 614 Cb 0.15 0.35 -0.02 0.00 0.00 0.00 0.00 34.83 35.31 3gyr s MET 614 CO -0.07 -0.12 -0.04 1.03 0.00 0.00 0.00 175.02 175.81 3gyr s ARG 615 N -0.02 0.32 0.49 4.11 1.81 0.36 -2.49 118.95 123.53 3gyr s ARG 615 Ca -0.01 -0.56 -0.11 0.00 -1.72 0.00 0.00 55.73 53.33 3gyr s ARG 615 Cb -0.04 0.01 -0.06 0.00 -0.45 0.00 0.00 34.95 34.41 3gyr s ARG 615 CO -0.00 -0.02 0.88 -1.25 -0.68 0.00 0.00 175.30 174.22 3gyr s PRO 616 N -1.30 3.75 0.13 3.54 0.04 -1.26 -0.72 135.00 139.18 3gyr s PRO 616 Ca -0.13 0.60 -0.06 0.00 0.04 0.00 0.00 61.00 61.46 3gyr s PRO 616 Cb -0.09 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 3gyr s PRO 616 CO -0.01 -0.23 0.17 -0.59 0.04 0.00 0.00 177.00 176.38 3gyr s PHE 617 N -2.65 0.51 -0.03 0.56 -0.71 -0.32 -4.53 117.98 110.80 3gyr s PHE 617 Ca 0.53 -0.91 0.04 0.00 -1.04 0.00 0.00 56.93 55.56 3gyr s PHE 617 Cb -0.10 -0.22 -0.00 0.00 -1.21 0.00 0.00 43.02 41.48 3gyr s PHE 617 CO 0.38 -0.59 -0.15 0.08 -1.34 0.00 0.00 175.22 173.59 3gyr s VAL 618 N -3.97 1.25 -0.18 -2.49 1.01 -0.78 -0.38 120.40 114.86 3gyr s VAL 618 Ca 0.16 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3gyr s VAL 618 Cb 0.05 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.39 3gyr s VAL 618 CO -0.02 0.36 -0.18 -0.69 0.00 0.00 0.00 175.10 174.57 3gyr s VAL 619 N -0.03 1.95 0.21 2.92 1.01 -0.23 -1.13 120.40 125.10 3gyr s VAL 619 Ca -0.01 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3gyr s VAL 619 Cb -0.10 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 3gyr s VAL 619 CO 0.01 0.48 -0.10 -0.04 0.00 0.00 0.00 175.10 175.46 3gyr s MET 620 N 1.33 1.31 0.28 2.72 -1.94 -0.79 -1.17 119.30 121.04 3gyr s MET 620 Ca 0.04 -1.60 -0.30 0.00 -1.71 0.00 0.00 55.69 52.12 3gyr s MET 620 Cb -0.13 -0.94 -0.13 0.00 2.01 0.00 0.00 34.83 35.64 3gyr s MET 620 CO -0.12 0.09 1.42 -2.30 -0.01 0.00 0.00 175.02 174.10 3gyr n PRO 621 N -0.38 2.22 -0.26 2.03 -0.02 -1.26 0.83 135.00 138.15 3gyr n PRO 621 Ca -0.08 0.79 0.19 0.00 -2.02 0.00 0.00 63.50 62.38 3gyr n PRO 621 Cb 0.61 -2.45 0.49 0.00 -0.02 0.00 0.00 33.50 32.13 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 3.81 0.44 0.00 0.52 0.11 -1.91 0.15 132.00 135.13 3gyr h PRO 622 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3gyr h PRO 622 Cb 1.27 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gyr h PRO 622 CO 0.72 0.29 -0.16 0.93 -0.21 0.00 0.00 178.00 179.57 3gyr h GLU 623 N 0.45 0.00 0.00 1.05 3.07 -1.97 -2.39 114.58 114.79 3gyr h GLU 623 Ca 0.49 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.24 3gyr h GLU 623 Cb 1.16 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.05 3gyr h GLU 623 CO -0.21 0.16 -1.23 0.00 -1.40 0.00 0.00 179.01 176.33 3gyr h ALA 624 N 1.84 0.61 -0.92 3.43 0.00 -1.10 -3.31 119.26 119.80 3gyr h ALA 624 Ca -0.00 -0.55 0.18 0.00 0.00 0.00 0.00 54.91 54.54 3gyr h ALA 624 Cb 0.50 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 3gyr h ALA 624 CO 0.02 0.60 0.59 1.25 0.00 0.00 0.00 179.25 181.71 3gyr h LEU 625 N 0.00 0.55 -2.55 0.00 5.85 -0.78 -1.09 115.31 117.30 3gyr h LEU 625 Ca -0.10 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3gyr h LEU 625 Cb 1.38 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3gyr h LEU 625 CO 0.03 0.24 0.08 0.11 -0.34 0.00 0.00 178.44 178.55 3gyr h LYS 626 N 0.56 0.00 -0.59 1.25 1.57 -1.63 0.12 116.57 117.85 3gyr h LYS 626 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3gyr h LYS 626 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3gyr h LYS 626 CO -0.22 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.85 3gyr n PHE 627 N -2.91 1.58 -0.62 -1.35 3.72 -0.41 -5.18 117.46 112.28 3gyr n PHE 627 Ca -0.03 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.71 3gyr n PHE 627 Cb 0.14 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 3gyr n PHE 627 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24