#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gyr s PRO 38 N 0.00 4.16 -0.33 0.00 0.04 -1.26 -3.44 135.00 134.17 3gyr s PRO 38 Ca 0.00 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.52 3gyr s PRO 38 Cb 0.00 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.85 3gyr s PRO 38 CO 0.00 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.63 3gyr n GLY 39 N 4.18 0.41 3.63 0.56 0.00 -1.26 -5.05 105.19 107.66 3gyr n GLY 39 Ca 0.17 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.36 2.51 0.42 1.61 2.02 -1.22 -4.80 118.70 115.87 3gyr s GLU 40 Ca 0.00 -0.79 -0.22 0.00 0.02 0.00 0.00 54.97 53.97 3gyr s GLU 40 Cb 0.00 -2.50 -0.10 0.00 0.10 0.00 0.00 34.13 31.63 3gyr s GLU 40 CO 0.00 0.57 0.98 -0.51 0.02 0.00 0.00 175.26 176.32 3gyr s LEU 41 N -1.83 4.02 -0.23 1.80 1.43 -1.26 -4.92 118.68 117.68 3gyr s LEU 41 Ca 0.21 1.82 -0.23 0.00 -1.03 0.00 0.00 54.13 54.90 3gyr s LEU 41 Cb -0.11 -4.40 -0.01 0.00 0.03 0.00 0.00 46.19 41.69 3gyr s LEU 41 CO 0.12 -0.43 0.73 -0.89 0.23 0.00 0.00 176.35 176.12 3gyr s THR 42 N -1.96 4.92 0.49 5.49 2.01 -1.26 -5.03 115.64 120.29 3gyr s THR 42 Ca 0.61 1.38 -0.21 0.00 0.31 0.00 0.00 61.69 63.78 3gyr s THR 42 Cb -0.14 -4.03 -0.07 0.00 0.01 0.00 0.00 72.50 68.26 3gyr s THR 42 CO 0.18 0.00 1.10 -2.16 -0.69 0.00 0.00 174.62 173.05 3gyr s PRO 43 N 2.48 3.69 -0.46 4.92 0.04 -1.26 -3.91 135.00 140.50 3gyr s PRO 43 Ca 0.32 1.55 -0.03 0.00 0.04 0.00 0.00 61.00 62.88 3gyr s PRO 43 Cb -0.16 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3gyr s PRO 43 CO 0.09 -0.56 0.36 1.19 0.04 0.00 0.00 177.00 178.12 3gyr n PHE 44 N -0.86 -0.90 0.02 0.56 0.99 0.98 -4.93 117.46 113.31 3gyr n PHE 44 Ca 0.09 0.31 0.10 0.00 -0.00 0.00 0.00 57.45 57.95 3gyr n PHE 44 Cb 0.51 -2.31 -0.11 0.00 -1.00 0.00 0.00 39.48 36.57 3gyr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3gyr n ALA 45 N -3.16 2.65 -2.62 4.37 0.00 -1.25 -4.64 120.51 115.85 3gyr n ALA 45 Ca -0.00 -0.46 -0.21 0.00 0.00 0.00 0.00 53.44 52.77 3gyr n ALA 45 Cb 0.52 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 18.99 3gyr n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gyr s ALA 46 N -3.42 1.26 0.58 0.00 0.00 -1.26 -4.98 121.76 113.94 3gyr s ALA 46 Ca -0.06 -0.87 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 3gyr s ALA 46 Cb 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3gyr s ALA 46 CO 0.87 0.25 1.20 -1.25 0.00 0.00 0.00 175.76 176.82 3gyr s PRO 47 N -1.16 3.04 0.40 0.00 0.04 -1.26 -1.47 135.00 134.58 3gyr s PRO 47 Ca 0.02 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 62.60 3gyr s PRO 47 Cb -0.08 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 3gyr s PRO 47 CO 0.01 -1.15 1.33 -1.17 0.04 0.00 0.00 177.00 176.07 3gyr s LEU 48 N -4.02 4.23 0.36 -3.56 2.96 0.11 -4.71 118.68 114.05 3gyr s LEU 48 Ca 0.77 2.72 0.08 0.00 -0.22 0.00 0.00 54.13 57.48 3gyr s LEU 48 Cb -0.29 -3.87 -0.04 0.00 0.50 0.00 0.00 46.19 42.49 3gyr s LEU 48 CO 0.32 -0.87 0.15 0.42 -1.32 0.00 0.00 176.35 175.06 3gyr s THR 49 N -1.23 2.77 0.03 3.68 -4.23 -1.26 -5.00 115.64 110.40 3gyr s THR 49 Ca 0.56 -1.70 0.05 0.00 -1.18 0.00 0.00 61.69 59.42 3gyr s THR 49 Cb -0.40 -2.96 -0.02 0.00 1.34 0.00 0.00 72.50 70.46 3gyr s THR 49 CO 0.51 -0.13 -0.14 0.68 -0.54 0.00 0.00 174.62 175.01 3gyr s VAL 50 N -2.48 1.10 0.69 2.29 -7.23 -1.26 -4.78 120.40 108.72 3gyr s VAL 50 Ca 0.39 -0.94 -0.17 0.00 -1.81 0.00 0.00 61.98 59.45 3gyr s VAL 50 Cb -0.01 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.93 3gyr s VAL 50 CO 0.23 0.04 0.93 -2.65 -0.31 0.00 0.00 175.10 173.34 3gyr n PRO 51 N 2.02 0.60 -1.32 4.82 -0.02 -1.26 -4.95 135.00 134.89 3gyr n PRO 51 Ca -0.17 0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 61.21 3gyr n PRO 51 Cb 0.55 -2.17 0.10 0.00 -0.02 0.00 0.00 33.50 31.96 3gyr n PRO 51 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3gyr n PRO 52 N -1.52 0.48 -3.62 0.52 -0.04 -1.26 -4.53 135.00 125.03 3gyr n PRO 52 Ca 0.13 0.23 -0.37 0.00 -0.04 0.00 0.00 63.50 63.44 3gyr n PRO 52 Cb 0.49 -2.35 -0.06 0.00 -0.04 0.00 0.00 33.50 31.53 3gyr n PRO 52 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gyr s VAL 53 N -1.87 5.24 -0.10 0.52 1.01 -1.26 -0.90 120.40 123.03 3gyr s VAL 53 Ca 0.75 0.58 0.01 0.00 0.00 0.00 0.00 61.98 63.33 3gyr s VAL 53 Cb -0.33 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3gyr s VAL 53 CO 0.49 0.54 -0.14 -0.22 0.00 0.00 0.00 175.10 175.78 3gyr s LEU 54 N -0.67 1.63 -0.41 3.92 2.96 0.67 -4.92 118.68 121.86 3gyr s LEU 54 Ca 0.19 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3gyr s LEU 54 Cb -0.14 -1.02 0.11 0.00 0.50 0.00 0.00 46.19 45.64 3gyr s LEU 54 CO 0.08 -0.01 0.20 -0.13 -1.32 0.00 0.00 176.35 175.17 3gyr s ARG 55 N 1.07 1.95 0.00 1.98 0.52 -1.26 -0.23 118.95 122.98 3gyr s ARG 55 Ca -0.06 -1.90 0.27 0.00 -0.52 0.00 0.00 55.73 53.53 3gyr s ARG 55 Cb -0.15 -3.53 0.93 0.00 0.52 0.00 0.00 34.95 32.72 3gyr s ARG 55 CO -0.02 -1.06 1.69 -0.35 0.02 0.00 0.00 175.30 175.57 3gyr n PRO 56 N 4.43 0.34 -1.71 3.54 -0.04 -1.26 -4.94 135.00 135.36 3gyr n PRO 56 Ca -0.00 -0.15 -0.39 0.00 -0.04 0.00 0.00 63.50 62.92 3gyr n PRO 56 Cb 0.41 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.41 3gyr n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gyr n ALA 57 N -1.20 1.25 -3.56 0.55 0.00 -1.26 -4.91 120.51 111.38 3gyr n ALA 57 Ca 0.10 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.58 3gyr n ALA 57 Cb 0.32 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.47 3gyr n ALA 57 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gyr s SER 58 N -0.88 0.08 0.00 0.00 1.04 -1.26 -5.02 113.70 107.66 3gyr s SER 58 Ca 0.70 -1.04 0.28 0.00 0.48 0.00 0.00 55.95 56.37 3gyr s SER 58 Cb -0.44 0.75 1.02 0.00 0.10 0.00 0.00 66.02 67.44 3gyr s SER 58 CO 0.51 -1.45 1.75 0.47 0.98 0.00 0.00 173.24 175.50 3gyr n ASP 59 N -1.01 0.33 -3.98 7.02 8.00 -1.26 -4.37 116.55 121.28 3gyr n ASP 59 Ca -0.05 -0.14 -0.31 0.00 0.71 0.00 0.00 54.79 55.00 3gyr n ASP 59 Cb 0.60 -0.12 -0.12 0.00 -0.02 0.00 0.00 41.12 41.47 3gyr n ASP 59 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3gyr s GLU 60 N -2.80 2.42 0.57 -1.24 2.12 -1.26 -4.96 118.70 113.56 3gyr s GLU 60 Ca 0.19 -2.93 0.26 0.00 0.36 0.00 0.00 54.97 52.85 3gyr s GLU 60 Cb 0.19 -3.52 1.66 0.00 0.26 0.00 0.00 34.13 32.73 3gyr s GLU 60 CO 0.56 -1.20 2.21 -0.24 -0.54 0.00 0.00 175.26 176.05 3gyr h VAL 61 N 4.91 0.63 0.00 3.70 3.04 -1.91 -0.57 116.25 126.05 3gyr h VAL 61 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 3gyr h VAL 61 Cb 0.85 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 3gyr h VAL 61 CO 0.72 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.63 3gyr n THR 62 N -4.02 0.49 -3.06 3.17 -2.24 -1.26 -4.47 114.28 102.89 3gyr n THR 62 Ca -0.02 0.12 -0.44 0.00 -2.27 0.00 0.00 64.05 61.44 3gyr n THR 62 Cb 0.13 -0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 67.55 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 -2.83 3.07 0.69 -0.78 6.06 -0.22 -5.04 118.95 119.88 3gyr s ARG 63 Ca 0.14 -1.25 -0.13 0.00 -2.50 0.00 0.00 55.73 51.99 3gyr s ARG 63 Cb 0.14 -4.27 0.01 0.00 0.06 0.00 0.00 34.95 30.88 3gyr s ARG 63 CO 0.36 -1.60 1.09 -1.21 -2.50 0.00 0.00 175.30 171.43 3gyr s GLU 64 N 2.92 2.76 -0.20 5.12 2.02 -1.26 -4.86 118.70 125.19 3gyr s GLU 64 Ca 0.14 1.23 -0.14 0.00 0.02 0.00 0.00 54.97 56.22 3gyr s GLU 64 Cb -0.22 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.01 3gyr s GLU 64 CO 0.06 -1.26 0.30 0.99 0.02 0.00 0.00 175.26 175.37 3gyr s THR 65 N -2.63 5.27 -0.10 3.63 2.01 -0.54 -4.92 115.64 118.36 3gyr s THR 65 Ca 0.63 0.51 -0.24 0.00 0.31 0.00 0.00 61.69 62.90 3gyr s THR 65 Cb -0.18 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 3gyr s THR 65 CO 0.47 0.31 0.75 -0.70 -0.69 0.00 0.00 174.62 174.76 3gyr s GLU 66 N 1.05 4.38 -0.31 4.92 2.12 -1.26 -0.44 118.70 129.16 3gyr s GLU 66 Ca 0.15 0.93 -0.00 0.00 0.36 0.00 0.00 54.97 56.41 3gyr s GLU 66 Cb -0.14 -3.50 0.07 0.00 0.26 0.00 0.00 34.13 30.82 3gyr s GLU 66 CO 0.06 -0.08 0.01 0.42 -0.54 0.00 0.00 175.26 175.13 3gyr s ILE 67 N 1.30 2.77 -0.28 -3.70 1.01 -0.40 -4.93 121.20 116.97 3gyr s ILE 67 Ca 0.38 -1.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.21 3gyr s ILE 67 Cb -0.17 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 3gyr s ILE 67 CO 0.16 -0.24 0.42 0.00 0.00 0.00 0.00 174.94 175.29 3gyr s ALA 68 N 1.16 3.56 -0.03 9.38 0.00 -1.26 -1.00 121.76 133.57 3gyr s ALA 68 Ca -0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 3gyr s ALA 68 Cb -0.20 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3gyr s ALA 68 CO -0.03 -0.74 1.19 -0.51 0.00 0.00 0.00 175.76 175.67 3gyr s LEU 69 N 2.16 4.30 0.02 0.00 1.02 -0.21 0.93 118.68 126.91 3gyr s LEU 69 Ca 0.17 1.84 0.03 0.00 0.02 0.00 0.00 54.13 56.19 3gyr s LEU 69 Cb -0.16 -3.56 -0.02 0.00 0.02 0.00 0.00 46.19 42.47 3gyr s LEU 69 CO 0.10 -0.55 -0.08 -0.13 0.02 0.00 0.00 176.35 175.71 3gyr s ARG 70 N 1.97 0.57 0.59 1.70 0.52 -0.52 -1.67 118.95 122.12 3gyr s ARG 70 Ca 0.56 -0.55 -0.19 0.00 -0.52 0.00 0.00 55.73 55.03 3gyr s ARG 70 Cb -0.25 -0.47 -0.04 0.00 0.52 0.00 0.00 34.95 34.71 3gyr s ARG 70 CO 0.23 0.11 1.23 -2.14 0.02 0.00 0.00 175.30 174.76 3gyr s PRO 71 N -0.95 2.98 0.09 3.54 0.02 -1.26 -1.12 135.00 138.30 3gyr s PRO 71 Ca -0.03 1.90 -0.14 0.00 0.02 0.00 0.00 61.00 62.75 3gyr s PRO 71 Cb -0.07 -1.98 0.02 0.00 0.02 0.00 0.00 34.50 32.50 3gyr s PRO 71 CO 0.00 -1.22 0.33 -0.08 -0.33 0.00 0.00 177.00 175.71 3gyr s THR 72 N -1.53 0.09 -0.28 0.99 -1.32 0.11 -4.84 115.64 108.86 3gyr s THR 72 Ca 0.77 -0.73 -0.05 0.00 -1.21 0.00 0.00 61.69 60.47 3gyr s THR 72 Cb -0.32 -1.15 0.02 0.00 -1.51 0.00 0.00 72.50 69.53 3gyr s THR 72 CO 0.35 -0.40 0.02 0.26 -2.21 0.00 0.00 174.62 172.64 3gyr s TRP 73 N -3.48 3.12 -0.10 9.09 0.52 -1.26 -0.02 118.94 126.81 3gyr s TRP 73 Ca 0.01 -1.24 -0.00 0.00 0.02 0.00 0.00 56.10 54.89 3gyr s TRP 73 Cb 0.02 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.14 3gyr s TRP 73 CO -0.09 -0.65 -0.08 0.08 0.02 0.00 0.00 176.95 176.23 3gyr s VAL 74 N 1.42 3.55 -0.63 4.03 1.01 0.93 -4.83 120.40 125.88 3gyr s VAL 74 Ca 0.01 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 3gyr s VAL 74 Cb -0.17 -2.48 0.11 0.00 0.00 0.00 0.00 36.38 33.84 3gyr s VAL 74 CO -0.00 0.56 0.75 -0.60 0.00 0.00 0.00 175.10 175.80 3gyr s ARG 75 N -0.32 3.12 0.47 2.72 6.06 -1.26 0.56 118.95 130.31 3gyr s ARG 75 Ca 0.04 -1.43 0.15 0.00 -2.50 0.00 0.00 55.73 51.99 3gyr s ARG 75 Cb -0.13 -4.33 1.09 0.00 0.06 0.00 0.00 34.95 31.65 3gyr s ARG 75 CO 0.02 -1.55 2.05 -0.07 -2.50 0.00 0.00 175.30 173.25 3gyr h LEU 76 N 9.88 0.02 -7.00 -0.88 3.38 -1.84 -3.45 115.31 115.42 3gyr h LEU 76 Ca -0.23 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.83 3gyr h LEU 76 Cb 1.08 -0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.55 3gyr h LEU 76 CO 1.08 0.13 0.52 -2.28 0.09 0.00 0.00 178.44 177.98 3gyr s HIS 77 N -4.82 -0.41 0.59 1.13 5.04 -1.26 -0.73 115.29 114.83 3gyr s HIS 77 Ca -0.04 0.96 0.28 0.00 -1.54 0.00 0.00 55.06 54.72 3gyr s HIS 77 Cb 0.16 0.37 1.58 0.00 0.04 0.00 0.00 32.58 34.73 3gyr s HIS 77 CO 0.69 -0.20 2.02 -1.35 -2.34 0.00 0.00 174.74 173.56 3gyr h PRO 78 N 4.40 0.00 -0.17 2.88 0.11 -1.93 0.25 132.00 137.53 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 0.14 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.97 3gyr n GLN 79 N -3.78 1.90 -4.08 1.05 6.02 -1.26 -4.87 117.38 112.35 3gyr n GLN 79 Ca 0.04 -1.34 -0.26 0.00 -0.01 0.00 0.00 57.00 55.43 3gyr n GLN 79 Cb 0.46 -1.43 -0.06 0.00 1.02 0.00 0.00 30.24 30.24 3gyr n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gyr s LEU 80 N -1.65 3.79 0.80 1.08 1.43 0.87 -5.05 118.68 119.95 3gyr s LEU 80 Ca 0.34 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 3gyr s LEU 80 Cb 0.19 -2.41 0.07 0.00 0.03 0.00 0.00 46.19 44.08 3gyr s LEU 80 CO 0.29 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.87 3gyr s PRO 81 N -3.05 2.04 0.62 1.29 0.04 -1.26 -4.77 135.00 129.90 3gyr s PRO 81 Ca 0.31 0.79 -0.19 0.00 0.04 0.00 0.00 61.00 61.94 3gyr s PRO 81 Cb -0.10 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3gyr s PRO 81 CO 0.23 -1.69 1.31 -2.30 0.04 0.00 0.00 177.00 174.59 3gyr n PRO 82 N -3.50 1.26 -4.45 0.56 -0.02 -1.26 -4.70 135.00 122.88 3gyr n PRO 82 Ca 0.07 0.49 -0.34 0.00 -2.02 0.00 0.00 63.50 61.70 3gyr n PRO 82 Cb 0.55 -2.55 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 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 -1.36 3.95 -0.01 3.45 2.01 0.19 -4.88 115.64 118.99 3gyr s THR 83 Ca 0.80 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 3gyr s THR 83 Cb -0.39 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3gyr s THR 83 CO 0.42 0.55 1.20 -0.22 -0.69 0.00 0.00 174.62 175.88 3gyr s LEU 84 N -0.27 4.31 0.27 4.42 2.96 -1.26 -0.05 118.68 129.06 3gyr s LEU 84 Ca 0.05 1.88 0.02 0.00 -0.22 0.00 0.00 54.13 55.85 3gyr s LEU 84 Cb -0.13 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3gyr s LEU 84 CO 0.02 -0.54 0.13 -0.04 -1.32 0.00 0.00 176.35 174.60 3gyr s MET 85 N 1.81 1.45 -0.17 1.98 -1.94 0.97 -4.80 119.30 118.59 3gyr s MET 85 Ca 0.57 -1.80 -0.03 0.00 -1.71 0.00 0.00 55.69 52.73 3gyr s MET 85 Cb -0.26 -0.10 -0.02 0.00 2.01 0.00 0.00 34.83 36.46 3gyr s MET 85 CO 0.25 -0.37 -0.07 -1.58 -0.01 0.00 0.00 175.02 173.23 3gyr s TRP 86 N -3.77 2.93 0.04 -0.03 0.51 0.62 0.05 118.94 119.29 3gyr s TRP 86 Ca 0.37 -0.65 0.04 0.00 -2.12 0.00 0.00 56.10 53.74 3gyr s TRP 86 Cb 0.07 -1.98 -0.02 0.00 -0.81 0.00 0.00 33.47 30.73 3gyr s TRP 86 CO 0.15 -0.29 -0.12 0.20 -0.51 0.00 0.00 176.95 176.38 3gyr s GLY 87 N 0.78 0.71 -0.06 0.98 0.00 -0.27 -3.21 107.32 106.24 3gyr s GLY 87 Ca -0.03 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 43.63 3gyr s GLY 87 CO 0.02 -0.76 1.81 -0.19 0.00 0.00 0.00 173.10 173.98 3gyr s TYR 88 N -0.87 1.68 -1.62 1.90 2.02 -1.21 -0.29 117.35 118.96 3gyr s TYR 88 Ca -0.00 0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.74 3gyr s TYR 88 Cb -0.08 -4.04 0.00 0.00 -0.40 0.00 0.00 41.96 37.44 3gyr s TYR 88 CO 0.01 -4.35 0.00 -0.25 -1.57 0.00 0.00 175.55 169.39 3gyr n ASP 89 N 7.85 -5.02 -1.24 2.29 8.00 0.27 -2.23 116.55 126.47 3gyr n ASP 89 Ca 0.19 0.17 -0.15 0.00 0.71 0.00 0.00 54.79 55.71 3gyr n ASP 89 Cb 0.43 -4.29 -0.06 0.00 -0.02 0.00 0.00 41.12 37.18 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 -0.76 1.40 3.56 0.44 0.00 0.60 -4.96 105.19 105.47 3gyr n GLY 90 Ca -0.20 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 3gyr n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gyr s GLN 91 N -3.45 2.67 -0.15 1.61 -1.52 -0.94 -4.82 119.66 113.06 3gyr s GLN 91 Ca 0.00 -0.60 -0.01 0.00 -1.95 0.00 0.00 55.36 52.80 3gyr s GLN 91 Cb 0.00 -2.54 0.04 0.00 -0.22 0.00 0.00 33.01 30.29 3gyr s GLN 91 CO 0.00 0.65 -0.04 0.08 -0.25 0.00 0.00 175.29 175.73 3gyr s VAL 92 N -0.82 0.90 0.91 1.09 1.01 -1.26 -3.00 120.40 119.22 3gyr s VAL 92 Ca 0.13 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 3gyr s VAL 92 Cb -0.11 -1.09 0.14 0.00 0.00 0.00 0.00 36.38 35.31 3gyr s VAL 92 CO 0.02 0.15 1.09 -2.84 0.00 0.00 0.00 175.10 173.52 3gyr s PRO 93 N 1.73 1.17 1.21 2.72 0.02 -1.26 -4.36 135.00 136.22 3gyr s PRO 93 Ca 0.02 0.97 -0.16 0.00 0.02 0.00 0.00 61.00 61.86 3gyr s PRO 93 Cb -0.15 -1.79 0.29 0.00 0.02 0.00 0.00 34.50 32.88 3gyr s PRO 93 CO -0.07 -2.35 1.03 0.20 -0.33 0.00 0.00 177.00 175.47 3gyr s GLY 94 N -3.23 1.52 0.42 0.52 0.00 0.52 -4.78 107.32 102.28 3gyr s GLY 94 Ca 0.64 -0.46 -0.27 0.00 0.00 0.00 0.00 44.72 44.63 3gyr s GLY 94 CO 0.58 0.34 1.44 -1.05 0.00 0.00 0.00 173.10 174.41 3gyr n PRO 95 N -4.95 2.41 -2.30 2.90 -0.02 -1.26 -4.50 135.00 127.28 3gyr n PRO 95 Ca 0.07 0.85 -0.43 0.00 -2.02 0.00 0.00 63.50 61.97 3gyr n PRO 95 Cb 0.57 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 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 -1.16 3.84 0.07 3.45 2.01 -0.08 -4.24 115.64 119.53 3gyr s THR 96 Ca 0.58 0.86 -0.25 0.00 0.31 0.00 0.00 61.69 63.19 3gyr s THR 96 Cb -0.47 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 67.87 3gyr s THR 96 CO 0.60 -0.69 0.75 -0.63 -0.69 0.00 0.00 174.62 173.96 3gyr s ILE 97 N 5.61 4.66 -0.08 1.82 1.01 -0.82 -0.24 121.20 133.16 3gyr s ILE 97 Ca 0.64 1.61 0.02 0.00 0.00 0.00 0.00 60.65 62.92 3gyr s ILE 97 Cb -0.15 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.23 3gyr s ILE 97 CO 0.33 0.41 -0.12 -0.70 0.00 0.00 0.00 174.94 174.85 3gyr s GLU 98 N -0.33 1.82 0.13 2.79 2.12 0.68 -0.61 118.70 125.31 3gyr s GLU 98 Ca 0.37 -0.43 -0.00 0.00 0.36 0.00 0.00 54.97 55.27 3gyr s GLU 98 Cb -0.21 -1.57 -0.04 0.00 0.26 0.00 0.00 34.13 32.57 3gyr s GLU 98 CO 0.23 -0.04 0.04 0.14 -0.54 0.00 0.00 175.26 175.09 3gyr s VAL 99 N 0.92 0.22 -0.05 3.70 -7.23 -0.43 -4.34 120.40 113.18 3gyr s VAL 99 Ca -0.09 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.13 3gyr s VAL 99 Cb -0.15 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 3gyr s VAL 99 CO 0.00 -0.50 0.10 -0.13 -0.31 0.00 0.00 175.10 174.26 3gyr s ARG 100 N -4.01 3.20 -0.16 4.82 0.52 -1.26 -0.66 118.95 121.40 3gyr s ARG 100 Ca 0.23 -0.35 -0.19 0.00 -0.52 0.00 0.00 55.73 54.90 3gyr s ARG 100 Cb 0.07 -2.97 -0.09 0.00 0.52 0.00 0.00 34.95 32.49 3gyr s ARG 100 CO 0.01 0.70 0.63 -2.13 0.02 0.00 0.00 175.30 174.53 3gyr n ARG 101 N 1.57 0.00 -0.57 3.54 0.63 0.66 -0.86 116.66 121.62 3gyr n ARG 101 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 3gyr n ARG 101 Cb 0.54 -0.64 0.00 0.00 0.45 0.00 0.00 32.46 32.80 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 1.45 1.84 3.57 5.14 0.00 0.38 -4.97 105.19 112.61 3gyr n GLY 102 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.00 3.17 -0.03 1.61 -0.21 -0.04 -4.92 119.66 119.23 3gyr s GLN 103 Ca 0.00 0.51 -0.30 0.00 0.02 0.00 0.00 55.36 55.59 3gyr s GLN 103 Cb 0.00 -4.18 -0.06 0.00 1.00 0.00 0.00 33.01 29.77 3gyr s GLN 103 CO 0.00 -2.09 1.57 0.50 -2.12 0.00 0.00 175.29 173.15 3gyr s ARG 104 N 5.82 4.21 0.09 2.91 3.52 -1.25 -4.51 118.95 129.74 3gyr s ARG 104 Ca 0.56 2.12 0.08 0.00 -0.13 0.00 0.00 55.73 58.36 3gyr s ARG 104 Cb -0.12 -3.83 -0.03 0.00 -1.56 0.00 0.00 34.95 29.41 3gyr s ARG 104 CO 0.24 -0.76 -0.20 0.14 -0.81 0.00 0.00 175.30 173.91 3gyr s VAL 105 N 3.46 1.62 -0.13 7.11 -7.23 -0.69 -4.72 120.40 119.82 3gyr s VAL 105 Ca 0.70 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 59.43 3gyr s VAL 105 Cb -0.33 -1.47 0.01 0.00 0.56 0.00 0.00 36.38 35.14 3gyr s VAL 105 CO 0.28 -0.05 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.67 3gyr s ARG 106 N -1.79 3.05 -0.08 4.82 0.52 -1.26 -0.19 118.95 124.01 3gyr s ARG 106 Ca 0.05 -0.85 0.05 0.00 -0.52 0.00 0.00 55.73 54.46 3gyr s ARG 106 Cb -0.10 -2.42 -0.00 0.00 0.52 0.00 0.00 34.95 32.95 3gyr s ARG 106 CO 0.04 0.04 -0.24 0.42 0.02 0.00 0.00 175.30 175.58 3gyr s ILE 107 N 0.69 1.98 -0.66 1.52 1.01 0.79 -1.47 121.20 125.06 3gyr s ILE 107 Ca -0.10 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.38 3gyr s ILE 107 Cb -0.16 -1.70 0.13 0.00 0.01 0.00 0.00 42.46 40.74 3gyr s ILE 107 CO 0.01 0.55 0.72 0.00 0.00 0.00 0.00 174.94 176.22 3gyr s ALA 108 N 0.15 3.57 -0.56 9.38 0.00 0.42 -1.25 121.76 133.45 3gyr s ALA 108 Ca -0.12 -2.53 -0.28 0.00 0.00 0.00 0.00 51.96 49.03 3gyr s ALA 108 Cb -0.16 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.45 3gyr s ALA 108 CO 0.06 -2.35 1.32 -1.58 0.00 0.00 0.00 175.76 173.22 3gyr s TRP 109 N 2.06 2.43 -0.16 0.00 0.52 -0.03 -1.27 118.94 122.49 3gyr s TRP 109 Ca 0.13 0.46 0.01 0.00 0.02 0.00 0.00 56.10 56.73 3gyr s TRP 109 Cb -0.21 -4.44 0.01 0.00 -1.15 0.00 0.00 33.47 27.68 3gyr s TRP 109 CO 0.01 -1.82 -0.20 0.99 0.02 0.00 0.00 176.95 175.96 3gyr s THR 110 N 5.55 2.14 -0.54 2.01 2.01 -0.17 -1.03 115.64 125.62 3gyr s THR 110 Ca 0.49 -0.93 -0.26 0.00 0.31 0.00 0.00 61.69 61.30 3gyr s THR 110 Cb -0.10 -1.88 0.03 0.00 0.01 0.00 0.00 72.50 70.57 3gyr s THR 110 CO 0.26 0.54 1.03 0.21 -0.69 0.00 0.00 174.62 175.97 3gyr s ASN 111 N 1.08 6.43 -0.19 3.53 3.84 -0.63 -1.04 114.94 127.96 3gyr s ASN 111 Ca -0.00 -0.04 0.15 0.00 0.21 0.00 0.00 52.86 53.17 3gyr s ASN 111 Cb -0.14 -2.49 0.41 0.00 -0.55 0.00 0.00 41.25 38.48 3gyr s ASN 111 CO -0.08 -1.27 1.28 0.54 -2.79 0.00 0.00 177.10 174.78 3gyr n ARG 112 N 7.74 1.77 -2.72 0.43 5.12 -0.67 0.80 116.66 129.13 3gyr n ARG 112 Ca 0.06 -2.93 -0.43 0.00 -1.93 0.00 0.00 57.85 52.62 3gyr n ARG 112 Cb 0.48 -1.65 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 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 -3.03 4.45 0.47 0.55 1.01 -1.11 -4.68 121.20 118.85 3gyr s ILE 113 Ca 0.38 1.23 -0.24 0.00 0.00 0.00 0.00 60.65 62.02 3gyr s ILE 113 Cb 0.34 -4.44 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 3gyr s ILE 113 CO 0.01 -0.71 1.33 -2.65 0.00 0.00 0.00 174.94 172.92 3gyr n PRO 114 N 7.16 1.92 -1.64 2.79 -0.02 -1.26 -4.51 135.00 139.44 3gyr n PRO 114 Ca 0.09 0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 61.87 3gyr n PRO 114 Cb 0.48 -2.49 0.03 0.00 -0.02 0.00 0.00 33.50 31.50 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 -0.33 1.26 -0.98 -0.52 5.02 -1.26 -1.98 118.16 119.37 3gyr n LYS 115 Ca 0.07 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 3gyr n LYS 115 Cb 0.42 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 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 1.14 0.95 3.77 0.72 0.00 -1.26 -5.02 105.19 105.49 3gyr n GLY 116 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3gyr n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gyr s SER 117 N -2.92 6.70 0.24 1.61 0.01 -0.84 -4.94 113.70 113.56 3gyr s SER 117 Ca 0.00 2.74 -0.30 0.00 1.31 0.00 0.00 55.95 59.70 3gyr s SER 117 Cb 0.00 -2.65 -0.10 0.00 0.21 0.00 0.00 66.02 63.48 3gyr s SER 117 CO 0.00 -0.60 1.50 -0.70 0.41 0.00 0.00 173.24 173.85 3gyr s GLU 118 N -1.70 4.22 -0.03 12.44 2.12 -1.26 -4.93 118.70 129.56 3gyr s GLU 118 Ca 0.50 2.38 -0.30 0.00 0.36 0.00 0.00 54.97 57.91 3gyr s GLU 118 Cb -0.41 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 3gyr s GLU 118 CO 0.54 -0.50 1.25 -0.47 -0.54 0.00 0.00 175.26 175.53 3gyr s TYR 119 N 0.20 3.13 0.37 5.30 5.04 -1.26 -4.93 117.35 125.20 3gyr s TYR 119 Ca 0.62 1.13 0.17 0.00 -2.44 0.00 0.00 57.07 56.55 3gyr s TYR 119 Cb -0.44 -3.48 0.91 0.00 0.35 0.00 0.00 41.96 39.31 3gyr s TYR 119 CO 0.42 -1.58 1.89 -1.35 -1.34 0.00 0.00 175.55 173.60 3gyr h PRO 120 N 7.49 0.00 -4.99 4.97 0.11 -1.92 -3.43 132.00 134.24 3gyr h PRO 120 Ca -0.36 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.11 3gyr h PRO 120 Cb 1.17 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.07 3gyr h PRO 120 CO 0.88 0.29 -0.61 0.08 -0.21 0.00 0.00 178.00 178.43 3gyr s VAL 121 N -4.19 4.46 0.04 3.15 1.01 -1.26 -4.10 120.40 119.51 3gyr s VAL 121 Ca -0.03 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 3gyr s VAL 121 Cb 0.14 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 3gyr s VAL 121 CO 0.69 0.34 0.77 -0.89 0.00 0.00 0.00 175.10 176.01 3gyr s THR 122 N 1.48 4.74 -0.10 3.92 2.01 -0.24 -4.76 115.64 122.69 3gyr s THR 122 Ca 0.06 1.64 0.03 0.00 0.31 0.00 0.00 61.69 63.73 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 0.04 0.35 -0.21 -0.55 -0.69 0.00 0.00 174.62 173.57 3gyr s SER 123 N 0.01 3.36 0.08 3.53 0.15 -1.26 0.24 113.70 119.82 3gyr s SER 123 Ca 0.39 -0.48 0.02 0.00 0.70 0.00 0.00 55.95 56.58 3gyr s SER 123 Cb -0.20 -1.37 -0.04 0.00 -1.71 0.00 0.00 66.02 62.70 3gyr s SER 123 CO 0.23 0.18 -0.08 0.68 1.20 0.00 0.00 173.24 175.45 3gyr s VAL 124 N 0.25 0.70 -0.09 4.45 -7.23 -0.88 -0.02 120.40 117.57 3gyr s VAL 124 Ca -0.14 -1.64 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 3gyr s VAL 124 Cb -0.17 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 3gyr s VAL 124 CO 0.07 -0.67 -0.18 -1.61 -0.31 0.00 0.00 175.10 172.39 3gyr s GLU 125 N -2.99 2.93 0.00 4.82 2.02 -1.26 -2.63 118.70 121.59 3gyr s GLU 125 Ca 0.04 -0.78 0.07 0.00 0.02 0.00 0.00 54.97 54.33 3gyr s GLU 125 Cb -0.01 -2.40 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 3gyr s GLU 125 CO -0.02 0.33 -0.22 0.08 0.02 0.00 0.00 175.26 175.45 3gyr s VAL 126 N -0.00 1.76 0.63 2.63 1.01 0.24 -4.89 120.40 121.78 3gyr s VAL 126 Ca -0.06 -1.04 -0.17 0.00 0.00 0.00 0.00 61.98 60.71 3gyr s VAL 126 Cb -0.15 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3gyr s VAL 126 CO 0.05 0.41 1.14 -2.84 0.00 0.00 0.00 175.10 173.86 3gyr s PRO 127 N -0.74 2.89 0.14 2.72 0.02 -1.26 0.75 135.00 139.51 3gyr s PRO 127 Ca 0.09 1.56 -0.12 0.00 0.02 0.00 0.00 61.00 62.54 3gyr s PRO 127 Cb -0.09 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 3gyr s PRO 127 CO 0.00 -1.21 1.50 1.25 -0.33 0.00 0.00 177.00 178.21 3gyr h LEU 128 N 0.43 0.91 0.00 -5.54 5.85 -1.87 -3.44 115.31 111.65 3gyr h LEU 128 Ca -0.48 -0.42 0.17 0.00 0.84 0.00 0.00 57.88 57.99 3gyr h LEU 128 Cb 1.26 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 3gyr h LEU 128 CO 0.54 1.13 -0.23 0.61 -0.34 0.00 0.00 178.44 180.15 3gyr n GLY 129 N -0.02 -1.57 3.74 3.75 0.00 -1.26 -4.67 105.19 105.16 3gyr n GLY 129 Ca -0.01 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 3gyr n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gyr s PRO 130 N -1.07 2.56 0.95 1.61 0.04 -1.26 -5.00 135.00 132.83 3gyr s PRO 130 Ca 0.00 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 3gyr s PRO 130 Cb 0.00 -1.88 0.16 0.00 0.04 0.00 0.00 34.50 32.82 3gyr s PRO 130 CO 0.00 -1.52 1.15 -1.25 0.04 0.00 0.00 177.00 175.42 3gyr s PRO 131 N -3.67 0.79 -0.08 0.56 0.04 -1.26 -4.15 135.00 127.24 3gyr s PRO 131 Ca 0.75 0.21 0.00 0.00 0.04 0.00 0.00 61.00 62.00 3gyr s PRO 131 Cb -0.29 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3gyr s PRO 131 CO 0.40 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 175.43 3gyr n GLY 132 N -2.14 0.36 3.18 0.56 0.00 -1.26 -5.03 105.19 100.86 3gyr n GLY 132 Ca 0.08 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3gyr n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gyr s THR 133 N -1.66 0.88 0.15 2.61 -4.23 -1.26 -5.10 115.64 107.04 3gyr s THR 133 Ca 0.00 -1.72 -0.32 0.00 -1.18 0.00 0.00 61.69 58.47 3gyr s THR 133 Cb 0.00 -1.44 -0.17 0.00 1.34 0.00 0.00 72.50 72.23 3gyr s THR 133 CO 0.00 -0.64 0.93 -2.65 -0.54 0.00 0.00 174.62 171.72 3gyr n PRO 134 N 0.39 0.58 -1.16 3.99 -0.02 -1.26 -4.91 135.00 132.60 3gyr n PRO 134 Ca -0.15 0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.21 3gyr n PRO 134 Cb 0.59 -1.54 0.12 0.00 -0.02 0.00 0.00 33.50 32.65 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 -0.48 1.89 0.45 3.55 0.00 -1.26 -4.92 121.76 120.98 3gyr s ALA 135 Ca 0.73 0.78 0.37 0.00 0.00 0.00 0.00 51.96 53.83 3gyr s ALA 135 Cb -0.95 -3.46 1.87 0.00 0.00 0.00 0.00 23.12 20.57 3gyr s ALA 135 CO 0.55 -2.21 2.19 -1.35 0.00 0.00 0.00 175.76 174.94 3gyr h PRO 136 N -0.88 0.00 0.00 0.00 0.11 -1.87 -2.21 132.00 127.15 3gyr h PRO 136 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gyr h PRO 136 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3gyr h PRO 136 CO 0.47 0.03 0.00 0.27 -0.21 0.00 0.00 178.00 178.56 3gyr n ASN 137 N -3.27 0.00 -0.49 -2.05 0.23 -1.26 -1.89 115.26 106.52 3gyr n ASN 137 Ca -0.02 -1.09 0.11 0.00 -0.53 0.00 0.00 54.58 53.05 3gyr n ASN 137 Cb 0.18 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.87 3gyr n ASN 137 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3gyr n THR 138 N -0.64 0.00 -4.29 5.53 -1.04 -0.83 -3.97 114.28 109.03 3gyr n THR 138 Ca 0.04 -0.27 -0.20 0.00 -2.04 0.00 0.00 64.05 61.58 3gyr n THR 138 Cb 0.02 1.26 -0.13 0.00 -1.82 0.00 0.00 70.33 69.66 3gyr n THR 138 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gyr s GLU 139 N -2.40 0.90 1.04 -2.82 2.02 -0.79 -4.80 118.70 111.84 3gyr s GLU 139 Ca 0.18 -0.83 -0.14 0.00 0.02 0.00 0.00 54.97 54.20 3gyr s GLU 139 Cb 0.17 -0.92 0.21 0.00 0.10 0.00 0.00 34.13 33.70 3gyr s GLU 139 CO 0.55 0.22 1.11 -1.25 0.02 0.00 0.00 175.26 175.90 3gyr s PRO 140 N -1.35 0.12 0.00 0.39 0.04 -1.26 -4.92 135.00 128.02 3gyr s PRO 140 Ca 0.01 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.38 3gyr s PRO 140 Cb -0.09 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.74 3gyr s PRO 140 CO 0.02 -2.90 0.00 0.41 0.04 0.00 0.00 177.00 174.57 3gyr n GLY 141 N -1.23 -1.14 0.34 0.56 0.00 -0.12 -4.71 105.19 98.89 3gyr n GLY 141 Ca 0.07 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.61 3gyr n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gyr n ARG 142 N -1.08 1.20 0.00 1.61 1.74 -1.26 -4.92 116.66 113.95 3gyr n ARG 142 Ca 0.00 -0.69 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 3gyr n ARG 142 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 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 1.26 2.07 0.30 -0.13 0.00 -1.26 -1.78 105.19 105.65 3gyr n GLY 143 Ca 0.15 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3gyr n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gyr h GLY 144 N 0.00 0.71 -3.51 -0.02 0.00 -2.00 -3.48 103.07 94.77 3gyr h GLY 144 Ca 0.00 -0.35 -0.51 0.00 0.00 0.00 0.00 47.33 46.46 3gyr h GLY 144 CO 0.00 0.34 0.56 0.14 0.00 0.00 0.00 176.54 177.57 3gyr s VAL 145 N -5.26 2.99 0.14 4.60 1.01 -0.73 -4.99 120.40 118.16 3gyr s VAL 145 Ca -0.09 0.92 -0.31 0.00 0.00 0.00 0.00 61.98 62.50 3gyr s VAL 145 Cb 0.16 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 3gyr s VAL 145 CO 0.77 0.16 1.59 -1.61 0.00 0.00 0.00 175.10 176.01 3gyr s GLU 146 N -2.00 4.21 0.20 2.72 0.41 -1.26 -4.87 118.70 118.11 3gyr s GLU 146 Ca 0.53 2.36 -0.32 0.00 -0.41 0.00 0.00 54.97 57.12 3gyr s GLU 146 Cb -0.35 -3.26 -0.13 0.00 -1.78 0.00 0.00 34.13 28.62 3gyr s GLU 146 CO 0.45 -0.64 1.60 -2.30 -0.49 0.00 0.00 175.26 173.88 3gyr n PRO 147 N 4.35 2.40 -1.68 0.39 -0.02 -1.26 -4.78 135.00 134.40 3gyr n PRO 147 Ca 0.14 0.86 -0.48 0.00 -2.02 0.00 0.00 63.50 62.01 3gyr n PRO 147 Cb 0.39 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 31.18 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 3.26 3.53 0.17 2.55 2.85 0.97 -4.89 115.26 123.71 3gyr n ASN 148 Ca 0.15 0.97 0.06 0.00 -0.11 0.00 0.00 54.58 55.65 3gyr n ASN 148 Cb 0.32 -1.39 0.12 0.00 1.24 0.00 0.00 39.78 40.07 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 9.31 0.00 -0.29 1.20 1.57 -1.90 -2.64 116.57 123.81 3gyr h LYS 149 Ca -0.49 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.17 3gyr h LYS 149 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 3gyr h LYS 149 CO 0.95 0.32 -0.35 -0.44 -0.57 0.00 0.00 179.45 179.36 3gyr h ASP 150 N 0.00 0.68 -0.16 0.86 3.45 -1.98 -2.03 116.42 117.23 3gyr h ASP 150 Ca -0.00 -0.28 -0.05 0.00 0.43 0.00 0.00 57.03 57.12 3gyr h ASP 150 Cb 1.20 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.78 3gyr h ASP 150 CO 0.04 0.97 -0.09 0.58 -1.57 0.00 0.00 179.24 179.17 3gyr h VAL 151 N 0.54 1.32 -0.01 -1.35 2.07 -1.93 -3.19 116.25 113.70 3gyr h VAL 151 Ca 0.06 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3gyr h VAL 151 Cb 0.86 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3gyr h VAL 151 CO 0.07 0.34 0.04 0.00 0.02 0.00 0.00 177.57 178.04 3gyr h ALA 152 N 0.67 1.20 -0.14 1.67 0.00 -1.43 -1.52 119.26 119.70 3gyr h ALA 152 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gyr h ALA 152 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3gyr h ALA 152 CO 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3gyr n ALA 153 N -2.14 2.50 -1.97 0.00 0.00 -0.77 -4.49 120.51 113.65 3gyr n ALA 153 Ca -0.03 -0.63 -0.42 0.00 0.00 0.00 0.00 53.44 52.37 3gyr n ALA 153 Cb 0.11 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.77 4.37 0.95 0.00 1.43 -0.58 -5.02 118.68 118.06 3gyr s LEU 154 Ca 0.34 2.52 -0.13 0.00 -1.03 0.00 0.00 54.13 55.83 3gyr s LEU 154 Cb 0.20 -3.58 0.16 0.00 0.03 0.00 0.00 46.19 43.00 3gyr s LEU 154 CO 0.30 -0.83 1.15 -2.16 0.23 0.00 0.00 176.35 175.04 3gyr s PRO 155 N 1.75 0.81 -0.18 1.29 0.04 -1.26 -4.68 135.00 132.77 3gyr s PRO 155 Ca 0.71 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.67 3gyr s PRO 155 Cb -0.41 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3gyr s PRO 155 CO 0.31 -2.40 1.69 0.00 0.04 0.00 0.00 177.00 176.63 3gyr s ALA 156 N -3.28 3.30 -0.28 8.56 0.00 -1.26 -4.95 121.76 123.85 3gyr s ALA 156 Ca 0.65 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.21 3gyr s ALA 156 Cb -0.14 -3.85 0.13 0.00 0.00 0.00 0.00 23.12 19.26 3gyr s ALA 156 CO 0.54 -1.91 0.26 -0.46 0.00 0.00 0.00 175.76 174.19 3gyr s TRP 157 N 5.21 -0.32 0.00 0.00 -0.00 -1.26 -4.23 118.94 118.34 3gyr s TRP 157 Ca 0.75 -0.24 0.01 0.00 -0.00 0.00 0.00 56.10 56.61 3gyr s TRP 157 Cb -0.28 -0.52 -0.01 0.00 -0.00 0.00 0.00 33.47 32.67 3gyr s TRP 157 CO 0.30 -0.88 -0.04 0.45 -0.00 0.00 0.00 176.95 176.79 3gyr s SER 158 N 2.32 0.44 0.02 5.86 0.15 -1.11 -4.75 113.70 116.63 3gyr s SER 158 Ca 0.09 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.62 3gyr s SER 158 Cb -0.14 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.13 3gyr s SER 158 CO -0.32 -0.01 -0.09 0.54 1.20 0.00 0.00 173.24 174.56 3gyr s VAL 159 N -0.33 0.68 -0.11 4.45 0.11 -1.26 -1.16 120.40 122.78 3gyr s VAL 159 Ca -0.01 -0.76 -0.01 0.00 -2.93 0.00 0.00 61.98 58.27 3gyr s VAL 159 Cb -0.03 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 3gyr s VAL 159 CO -0.00 -0.08 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.74 3gyr s THR 160 N -0.78 3.75 -0.11 5.04 2.01 -1.26 -1.17 115.64 123.12 3gyr s THR 160 Ca -0.02 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.57 3gyr s THR 160 Cb -0.07 -2.59 -0.00 0.00 0.01 0.00 0.00 72.50 69.85 3gyr s THR 160 CO 0.00 0.55 -0.21 -2.28 -0.69 0.00 0.00 174.62 171.99 3gyr s HIS 161 N -0.20 2.64 -0.65 4.92 5.04 0.05 -3.87 115.29 123.21 3gyr s HIS 161 Ca 0.03 -0.95 -0.19 0.00 -1.54 0.00 0.00 55.06 52.41 3gyr s HIS 161 Cb -0.13 -1.76 0.11 0.00 0.04 0.00 0.00 32.58 30.84 3gyr s HIS 161 CO 0.03 -0.37 0.79 -1.17 -2.34 0.00 0.00 174.74 171.67 3gyr s LEU 162 N 0.37 5.26 -0.31 8.88 2.96 -1.26 -1.99 118.68 132.59 3gyr s LEU 162 Ca -0.16 -1.48 -0.29 0.00 -0.22 0.00 0.00 54.13 51.98 3gyr s LEU 162 Cb -0.17 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.20 3gyr s LEU 162 CO 0.07 -1.14 1.27 -2.28 -1.32 0.00 0.00 176.35 172.95 3gyr s HIS 163 N 2.80 2.74 0.00 5.38 5.65 0.42 -1.82 115.29 130.45 3gyr s HIS 163 Ca 0.15 0.89 0.00 0.00 0.25 0.00 0.00 55.06 56.36 3gyr s HIS 163 Cb -0.21 -3.92 0.00 0.00 -1.18 0.00 0.00 32.58 27.27 3gyr s HIS 163 CO 0.05 -1.59 0.00 0.41 -0.65 0.00 0.00 174.74 172.96 3gyr n GLY 164 N 4.31 2.07 3.77 1.59 0.00 -1.26 -2.58 105.19 113.09 3gyr n GLY 164 Ca 0.14 0.00 -0.37 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 -1.93 2.98 -0.53 4.61 0.00 -0.76 -4.83 121.76 121.30 3gyr s ALA 165 Ca 0.00 1.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.82 3gyr s ALA 165 Cb 0.00 -3.42 0.13 0.00 0.00 0.00 0.00 23.12 19.83 3gyr s ALA 165 CO 0.00 -0.77 0.49 -1.14 0.00 0.00 0.00 175.76 174.34 3gyr s GLN 166 N -2.67 2.95 0.13 0.00 0.74 -1.26 -4.09 119.66 115.45 3gyr s GLN 166 Ca 0.64 -1.72 -0.24 0.00 0.05 0.00 0.00 55.36 54.09 3gyr s GLN 166 Cb -0.31 -4.27 0.07 0.00 1.10 0.00 0.00 33.01 29.60 3gyr s GLN 166 CO 0.38 -1.32 0.61 -0.08 -0.55 0.00 0.00 175.29 174.33 3gyr s THR 167 N 1.58 0.00 1.14 -0.34 -1.32 -1.26 -4.48 115.64 110.95 3gyr s THR 167 Ca 0.03 -0.01 -0.13 0.00 -1.21 0.00 0.00 61.69 60.38 3gyr s THR 167 Cb -0.30 -1.00 0.27 0.00 -1.51 0.00 0.00 72.50 69.96 3gyr s THR 167 CO 0.03 -0.00 1.04 -0.83 -2.21 0.00 0.00 174.62 172.64 3gyr s GLY 168 N -2.50 1.54 0.46 6.08 0.00 -1.26 -4.75 107.32 106.89 3gyr s GLY 168 Ca -0.01 -0.23 0.25 0.00 0.00 0.00 0.00 44.72 44.73 3gyr s GLY 168 CO -0.09 0.48 1.88 -1.33 0.00 0.00 0.00 173.10 174.03 3gyr h GLY 169 N -2.49 0.00 2.00 0.20 0.00 -1.40 -1.29 103.07 100.09 3gyr h GLY 169 Ca -0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3gyr h GLY 169 CO 0.53 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.74 3gyr h GLY 170 N 1.79 0.00 0.00 4.60 0.00 -1.88 -3.11 103.07 104.47 3gyr h GLY 170 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gyr h GLY 170 CO 0.03 0.00 -0.93 0.70 0.00 0.00 0.00 176.54 176.33 3gyr n ASN 171 N -2.75 1.29 -0.02 0.19 3.02 -0.51 -4.70 115.26 111.78 3gyr n ASN 171 Ca -0.01 -0.45 0.14 0.00 -0.03 0.00 0.00 54.58 54.23 3gyr n ASN 171 Cb 0.14 1.21 0.57 0.00 -0.61 0.00 0.00 39.78 41.10 3gyr n ASN 171 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3gyr n ASP 172 N -1.52 0.17 -0.87 6.41 4.64 -1.05 -4.80 116.55 119.53 3gyr n ASP 172 Ca 0.00 0.08 0.00 0.00 -1.38 0.00 0.00 54.79 53.49 3gyr n ASP 172 Cb 0.22 -0.26 0.00 0.00 -1.04 0.00 0.00 41.12 40.05 3gyr n ASP 172 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3gyr n GLY 173 N 1.43 0.56 3.66 0.27 0.00 -1.25 -4.23 105.19 105.63 3gyr n GLY 173 Ca 0.09 -0.52 -0.63 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.34 1.48 -0.25 1.61 -0.00 -1.26 -4.62 117.44 113.05 3gyr n TRP 174 Ca 0.00 0.99 0.11 0.00 -0.00 0.00 0.00 57.50 58.60 3gyr n TRP 174 Cb 0.49 -2.23 0.38 0.00 -0.00 0.00 0.00 31.31 29.94 3gyr n TRP 174 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3gyr h ALA 175 N 4.75 1.82 -0.02 5.87 0.00 -1.95 -0.11 119.26 129.62 3gyr h ALA 175 Ca -0.47 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 3gyr h ALA 175 Cb 1.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3gyr h ALA 175 CO 0.87 -0.04 -0.33 -0.44 0.00 0.00 0.00 179.25 179.31 3gyr h ASP 176 N 0.70 0.05 -0.17 0.00 3.32 -1.90 0.11 116.42 118.52 3gyr h ASP 176 Ca 0.42 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.35 3gyr h ASP 176 Cb 0.65 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.13 3gyr h ASP 176 CO -0.19 0.38 0.14 0.59 -1.72 0.00 0.00 179.24 178.45 3gyr n ASN 177 N -4.13 5.10 -4.86 6.45 5.03 -0.05 -4.85 115.26 117.95 3gyr n ASN 177 Ca -0.02 -2.56 -0.31 0.00 0.87 0.00 0.00 54.58 52.56 3gyr n ASN 177 Cb 0.38 -0.97 0.01 0.00 -1.02 0.00 0.00 39.78 38.18 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 -0.64 3.03 0.08 5.41 0.00 -1.26 -4.77 121.76 123.61 3gyr s ALA 178 Ca 0.11 -0.00 0.07 0.00 0.00 0.00 0.00 51.96 52.14 3gyr s ALA 178 Cb 0.09 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3gyr s ALA 178 CO 0.00 -0.67 -0.18 0.14 0.00 0.00 0.00 175.76 175.05 3gyr s VAL 179 N -3.04 1.48 0.69 0.00 -7.23 -0.31 -4.77 120.40 107.23 3gyr s VAL 179 Ca 0.56 -1.38 -0.01 0.00 -1.81 0.00 0.00 61.98 59.34 3gyr s VAL 179 Cb -0.11 -1.35 0.14 0.00 0.56 0.00 0.00 36.38 35.62 3gyr s VAL 179 CO 0.49 -0.07 0.95 0.61 -0.31 0.00 0.00 175.10 176.77 3gyr n GLY 180 N 1.31 0.50 3.68 2.32 0.00 -1.26 -2.75 105.19 108.99 3gyr n GLY 180 Ca -0.20 -2.00 -0.62 0.00 0.00 0.00 0.00 46.02 43.20 3gyr n GLY 180 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3gyr n PHE 181 N -2.82 1.60 0.00 1.61 7.35 -1.26 -1.89 117.46 122.05 3gyr n PHE 181 Ca 0.15 0.91 0.00 0.00 -0.76 0.00 0.00 57.45 57.76 3gyr n PHE 181 Cb 0.55 -2.28 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 3.42 2.78 3.93 7.13 0.00 0.24 -5.02 105.19 117.68 3gyr n GLY 182 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.25 6.14 0.12 1.61 1.01 -0.79 -4.85 116.67 118.67 3gyr s ASP 183 Ca 0.00 0.01 0.09 0.00 0.71 0.00 0.00 52.55 53.36 3gyr s ASP 183 Cb 0.00 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 3gyr s ASP 183 CO 0.00 -0.05 -0.22 0.00 0.21 0.00 0.00 175.17 175.11 3gyr s ALA 184 N -1.98 1.98 -0.22 5.23 0.00 -1.26 -1.61 121.76 123.89 3gyr s ALA 184 Ca 0.34 -1.34 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 3gyr s ALA 184 Cb -0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 3gyr s ALA 184 CO 0.28 0.38 0.09 -1.14 0.00 0.00 0.00 175.76 175.37 3gyr s GLN 185 N -2.10 3.90 -0.23 0.00 0.74 -0.20 -4.98 119.66 116.79 3gyr s GLN 185 Ca 0.10 -0.37 -0.08 0.00 0.05 0.00 0.00 55.36 55.06 3gyr s GLN 185 Cb -0.09 -3.34 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 3gyr s GLN 185 CO 0.05 0.06 0.10 -0.51 -0.55 0.00 0.00 175.29 174.45 3gyr s LEU 186 N 0.97 3.76 -0.11 3.68 1.43 -1.26 -0.85 118.68 126.30 3gyr s LEU 186 Ca 0.05 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3gyr s LEU 186 Cb -0.14 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.09 3gyr s LEU 186 CO 0.03 0.05 -0.20 -0.44 0.23 0.00 0.00 176.35 176.02 3gyr s SER 187 N 1.15 2.78 -0.21 2.29 0.01 -0.38 -4.76 113.70 114.58 3gyr s SER 187 Ca 0.05 -0.51 -0.09 0.00 1.31 0.00 0.00 55.95 56.71 3gyr s SER 187 Cb -0.14 -1.27 -0.05 0.00 0.21 0.00 0.00 66.02 64.77 3gyr s SER 187 CO 0.04 0.10 0.12 -0.70 0.41 0.00 0.00 173.24 173.20 3gyr s GLU 188 N 0.62 4.06 -0.40 12.44 2.12 -1.26 -0.15 118.70 136.13 3gyr s GLU 188 Ca -0.13 -0.29 -0.02 0.00 0.36 0.00 0.00 54.97 54.89 3gyr s GLU 188 Cb -0.17 -3.39 0.11 0.00 0.26 0.00 0.00 34.13 30.94 3gyr s GLU 188 CO 0.04 0.18 0.18 0.71 -0.54 0.00 0.00 175.26 175.84 3gyr s TYR 189 N 0.67 3.61 0.60 5.30 2.02 0.73 -4.80 117.35 125.47 3gyr s TYR 189 Ca 0.06 -2.48 0.29 0.00 -0.37 0.00 0.00 57.07 54.58 3gyr s TYR 189 Cb -0.12 -3.17 1.60 0.00 -0.40 0.00 0.00 41.96 39.86 3gyr s TYR 189 CO 0.01 -0.97 2.01 -1.35 -1.57 0.00 0.00 175.55 173.68 3gyr h PRO 190 N 8.00 0.00 -5.04 -1.71 0.11 -1.83 -1.82 132.00 129.71 3gyr h PRO 190 Ca -0.12 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.59 3gyr h PRO 190 Cb 1.04 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.16 3gyr h PRO 190 CO 0.68 0.00 -0.60 0.09 -0.21 0.00 0.00 178.00 177.95 3gyr n ASN 191 N -3.65 -5.18 -4.08 -2.05 5.03 -1.26 -3.82 115.26 100.25 3gyr n ASN 191 Ca 0.04 -0.37 -0.43 0.00 0.87 0.00 0.00 54.58 54.68 3gyr n ASN 191 Cb 0.46 -4.20 0.00 0.00 -1.02 0.00 0.00 39.78 35.02 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 -2.49 5.23 -3.53 6.41 4.64 -1.26 0.14 116.55 125.69 3gyr n ASP 192 Ca -0.06 -3.08 -0.15 0.00 -1.38 0.00 0.00 54.79 50.11 3gyr n ASP 192 Cb 0.58 -1.49 -0.05 0.00 -1.04 0.00 0.00 41.12 39.12 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 0.53 -0.54 0.84 -0.67 2.46 -1.26 -4.98 115.29 111.68 3gyr s HIS 193 Ca 0.40 0.71 -0.11 0.00 0.47 0.00 0.00 55.06 56.53 3gyr s HIS 193 Cb 0.05 0.40 0.09 0.00 -0.13 0.00 0.00 32.58 32.99 3gyr s HIS 193 CO 0.01 -0.66 1.09 1.14 -2.47 0.00 0.00 174.74 173.85 3gyr s GLN 194 N -2.13 1.74 0.27 2.88 -2.07 -1.26 -4.59 119.66 114.50 3gyr s GLN 194 Ca -0.07 0.93 -0.30 0.00 -1.82 0.00 0.00 55.36 54.10 3gyr s GLN 194 Cb -0.01 -1.86 -0.13 0.00 -1.09 0.00 0.00 33.01 29.92 3gyr s GLN 194 CO 0.01 -1.94 1.27 0.00 -1.32 0.00 0.00 175.29 173.32 3gyr n ALA 195 N -3.69 0.74 -3.86 2.60 0.00 -1.26 -4.89 120.51 110.15 3gyr n ALA 195 Ca 0.08 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.90 3gyr n ALA 195 Cb 0.54 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 17.81 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 -0.58 0.00 -0.36 0.00 -1.32 -0.83 -4.20 115.64 108.35 3gyr s THR 196 Ca 0.63 -0.45 -0.13 0.00 -1.21 0.00 0.00 61.69 60.53 3gyr s THR 196 Cb -0.65 -2.70 -0.00 0.00 -1.51 0.00 0.00 72.50 67.64 3gyr s THR 196 CO 0.56 0.00 0.24 -1.58 -2.21 0.00 0.00 174.62 171.63 3gyr s GLN 197 N -2.29 3.26 0.52 7.08 0.74 -1.26 -1.75 119.66 125.96 3gyr s GLN 197 Ca 0.22 -0.80 0.06 0.00 0.05 0.00 0.00 55.36 54.88 3gyr s GLN 197 Cb -0.01 -3.81 0.04 0.00 1.10 0.00 0.00 33.01 30.33 3gyr s GLN 197 CO 0.02 -0.55 0.71 -1.58 -0.55 0.00 0.00 175.29 173.35 3gyr s TRP 198 N 1.68 2.40 0.05 1.67 0.51 0.11 -4.85 118.94 120.50 3gyr s TRP 198 Ca 0.05 -0.36 -0.13 0.00 -2.12 0.00 0.00 56.10 53.54 3gyr s TRP 198 Cb -0.18 -2.50 0.02 0.00 -0.81 0.00 0.00 33.47 29.99 3gyr s TRP 198 CO 0.09 -0.83 0.28 1.67 -0.51 0.00 0.00 176.95 177.66 3gyr s TRP 199 N -2.60 -0.07 0.06 -1.98 1.48 -1.07 -0.84 118.94 113.92 3gyr s TRP 199 Ca 0.58 -0.10 0.06 0.00 -1.06 0.00 0.00 56.10 55.58 3gyr s TRP 199 Cb -0.09 0.07 -0.03 0.00 -1.16 0.00 0.00 33.47 32.27 3gyr s TRP 199 CO 0.37 -0.50 -0.17 1.52 -4.06 0.00 0.00 176.95 174.11 3gyr s TYR 200 N -2.64 1.43 0.17 1.66 -0.85 0.30 0.16 117.35 117.58 3gyr s TYR 200 Ca -0.04 -0.40 -0.24 0.00 -0.52 0.00 0.00 57.07 55.87 3gyr s TYR 200 Cb -0.01 -0.82 0.06 0.00 0.38 0.00 0.00 41.96 41.57 3gyr s TYR 200 CO -0.04 0.09 0.74 -3.38 -1.52 0.00 0.00 175.55 171.44 3gyr s HIS 201 N -1.04 -0.33 0.68 -3.49 -3.43 -0.84 -0.29 115.29 106.54 3gyr s HIS 201 Ca 0.02 0.04 -0.17 0.00 -0.80 0.00 0.00 55.06 54.16 3gyr s HIS 201 Cb -0.09 0.62 0.01 0.00 -1.43 0.00 0.00 32.58 31.68 3gyr s HIS 201 CO 0.02 -0.92 1.22 0.34 -2.00 0.00 0.00 174.74 173.40 3gyr s ASP 202 N -2.79 4.59 0.00 7.38 -1.08 -0.90 -0.77 116.67 123.09 3gyr s ASP 202 Ca 0.07 2.39 0.01 0.00 -0.52 0.00 0.00 52.55 54.49 3gyr s ASP 202 Cb -0.03 -2.59 0.01 0.00 -1.46 0.00 0.00 42.92 38.85 3gyr s ASP 202 CO -0.03 -2.00 0.79 1.57 0.52 0.00 0.00 175.17 176.01 3gyr n HIS 203 N -2.26 0.00 -1.67 -5.34 -0.00 -0.32 -4.77 115.22 100.87 3gyr n HIS 203 Ca 0.14 -0.02 -0.44 0.00 0.46 0.00 0.00 57.72 57.86 3gyr n HIS 203 Cb 0.50 0.09 -0.02 0.00 -0.12 0.00 0.00 29.99 30.44 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 1.07 -1.79 1.57 0.00 -1.26 -4.18 120.51 115.93 3gyr n ALA 204 Ca -0.00 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 3gyr n ALA 204 Cb 0.62 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 3gyr n ALA 204 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3gyr s MET 205 N -1.06 4.16 0.00 0.00 1.75 0.37 -2.44 119.30 122.07 3gyr s MET 205 Ca 0.63 2.51 0.00 0.00 -1.25 0.00 0.00 55.69 57.58 3gyr s MET 205 Cb -0.62 -3.50 0.00 0.00 2.84 0.00 0.00 34.83 33.54 3gyr s MET 205 CO 0.55 -0.79 0.00 0.09 -0.65 0.00 0.00 175.02 174.23 3gyr n ASN 206 N 5.33 0.00 -0.08 1.11 3.02 -1.26 -4.72 115.26 118.66 3gyr n ASN 206 Ca 0.17 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.76 3gyr n ASN 206 Cb 0.38 -0.21 0.07 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.77 1.41 -0.02 2.41 -5.35 -1.02 -4.72 119.36 110.29 3gyr n ILE 207 Ca 0.00 -1.56 0.09 0.00 -0.27 0.00 0.00 62.75 61.02 3gyr n ILE 207 Cb 0.00 0.17 0.50 0.00 -1.74 0.00 0.00 39.64 38.56 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 0.14 0.97 0.00 7.28 2.02 -1.77 -1.48 112.91 120.07 3gyr h THR 208 Ca 0.00 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 3gyr h THR 208 Cb 0.75 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3gyr h THR 208 CO 0.01 0.07 -0.08 0.08 0.37 0.00 0.00 175.52 175.98 3gyr h ARG 209 N 0.40 0.00 0.00 6.66 0.11 -1.84 -2.23 114.38 117.48 3gyr h ARG 209 Ca 0.21 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.90 3gyr h ARG 209 Cb 0.31 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.32 3gyr h ARG 209 CO -0.05 0.08 -2.46 0.91 0.10 0.00 0.00 179.97 178.54 3gyr n TRP 210 N -3.35 0.05 -0.34 4.08 8.01 -0.64 -3.84 117.44 121.40 3gyr n TRP 210 Ca -0.01 0.01 0.02 0.00 -1.31 0.00 0.00 57.50 56.21 3gyr n TRP 210 Cb 0.25 -1.01 0.19 0.00 -2.01 0.00 0.00 31.31 28.73 3gyr n TRP 210 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 3gyr h ASN 211 N -0.04 1.01 0.02 -0.99 2.35 -1.28 0.63 115.58 117.28 3gyr h ASN 211 Ca -0.58 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.02 3gyr h ASN 211 Cb 1.89 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 40.06 3gyr h ASN 211 CO -0.10 0.67 -0.61 0.58 -1.65 0.00 0.00 177.43 176.32 3gyr h VAL 212 N 1.16 1.45 -0.99 2.81 2.07 -1.62 -2.88 116.25 118.25 3gyr h VAL 212 Ca 0.40 -2.15 0.21 0.00 0.82 0.00 0.00 66.70 65.99 3gyr h VAL 212 Cb 0.11 2.72 -0.09 0.00 -1.52 0.00 0.00 31.29 32.51 3gyr h VAL 212 CO -0.14 0.62 0.62 -0.03 0.02 0.00 0.00 177.57 178.66 3gyr h MET 213 N -0.19 0.56 0.00 1.57 1.85 -1.63 -0.66 114.93 116.44 3gyr h MET 213 Ca -0.08 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.97 3gyr h MET 213 Cb 1.35 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 33.25 3gyr h MET 213 CO 0.12 0.37 0.00 0.00 -0.40 0.00 0.00 176.91 177.00 3gyr n ALA 214 N -2.41 1.30 0.00 0.39 0.00 0.20 -4.82 120.51 115.17 3gyr n ALA 214 Ca 0.23 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3gyr n ALA 214 Cb 0.69 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3gyr n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyr n GLY 215 N -0.77 0.82 3.16 0.00 0.00 -0.26 -0.27 105.19 107.87 3gyr n GLY 215 Ca 0.00 0.00 -0.43 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 5.90 -3.73 0.99 4.77 -1.19 -4.54 117.00 119.20 3gyr n LEU 216 Ca 0.00 -4.16 -0.14 0.00 -0.03 0.00 0.00 56.01 51.69 3gyr n LEU 216 Cb 0.00 -1.67 -0.09 0.00 -2.33 0.00 0.00 43.42 39.33 3gyr n LEU 216 CO 0.00 0.73 0.08 -0.72 -1.33 0.00 0.00 177.39 176.15 3gyr s TYR 217 N 3.04 -0.35 0.32 -1.77 -0.85 -1.26 -2.12 117.35 114.37 3gyr s TYR 217 Ca 0.48 0.73 -0.16 0.00 -0.52 0.00 0.00 57.07 57.60 3gyr s TYR 217 Cb 0.08 0.15 0.03 0.00 0.38 0.00 0.00 41.96 42.59 3gyr s TYR 217 CO -0.00 -0.32 0.69 0.20 -1.52 0.00 0.00 175.55 174.60 3gyr s GLY 218 N -0.57 0.30 0.33 5.49 0.00 0.60 -0.36 107.32 113.11 3gyr s GLY 218 Ca -0.07 -0.65 0.09 0.00 0.00 0.00 0.00 44.72 44.10 3gyr s GLY 218 CO 0.03 -0.32 -0.04 -1.08 0.00 0.00 0.00 173.10 171.69 3gyr s THR 219 N -3.27 2.56 -0.16 0.90 -1.32 -1.26 -0.54 115.64 112.55 3gyr s THR 219 Ca 0.16 -2.07 -0.05 0.00 -1.21 0.00 0.00 61.69 58.52 3gyr s THR 219 Cb -0.04 -2.71 0.08 0.00 -1.51 0.00 0.00 72.50 68.31 3gyr s THR 219 CO 0.10 -0.23 0.30 -0.47 -2.21 0.00 0.00 174.62 172.11 3gyr s TYR 220 N -2.53 -0.51 -0.06 9.09 6.14 -0.02 -1.95 117.35 127.52 3gyr s TYR 220 Ca 0.34 0.98 0.03 0.00 0.64 0.00 0.00 57.07 59.05 3gyr s TYR 220 Cb -0.00 -0.01 -0.03 0.00 0.42 0.00 0.00 41.96 42.35 3gyr s TYR 220 CO 0.18 -0.44 -0.13 -0.51 0.64 0.00 0.00 175.55 175.29 3gyr s LEU 221 N 2.46 2.79 -0.13 6.97 1.43 0.22 0.05 118.68 132.47 3gyr s LEU 221 Ca 0.02 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3gyr s LEU 221 Cb -0.13 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 3gyr s LEU 221 CO -0.10 0.34 -0.15 -0.69 0.23 0.00 0.00 176.35 175.98 3gyr s VAL 222 N -0.69 2.85 0.10 -1.59 1.01 -0.72 -1.31 120.40 120.06 3gyr s VAL 222 Ca 0.11 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.40 3gyr s VAL 222 Cb -0.11 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3gyr s VAL 222 CO 0.01 0.53 0.03 -0.13 0.00 0.00 0.00 175.10 175.54 3gyr s ARG 223 N 0.42 2.66 0.34 2.72 1.81 0.17 -1.97 118.95 125.09 3gyr s ARG 223 Ca -0.11 -0.82 -0.05 0.00 -1.72 0.00 0.00 55.73 53.03 3gyr s ARG 223 Cb -0.16 -2.59 0.01 0.00 -0.45 0.00 0.00 34.95 31.76 3gyr s ARG 223 CO 0.05 0.53 0.50 0.16 -0.68 0.00 0.00 175.30 175.87 3gyr s ASP 224 N -2.46 0.73 0.22 0.23 1.47 -1.26 -0.25 116.67 115.34 3gyr s ASP 224 Ca 0.27 -1.40 -0.02 0.00 1.18 0.00 0.00 52.55 52.58 3gyr s ASP 224 Cb -0.11 0.67 0.20 0.00 -0.34 0.00 0.00 42.92 43.34 3gyr s ASP 224 CO 0.20 -1.32 1.58 0.44 0.68 0.00 0.00 175.17 176.75 3gyr h ASP 225 N 2.12 0.61 -0.27 2.11 3.45 -1.99 -1.34 116.42 121.11 3gyr h ASP 225 Ca -0.29 -0.27 -0.02 0.00 0.43 0.00 0.00 57.03 56.88 3gyr h ASP 225 Cb 1.24 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.83 3gyr h ASP 225 CO 0.39 0.95 0.11 -0.08 -1.57 0.00 0.00 179.24 179.04 3gyr h GLU 226 N 0.47 0.41 -0.61 3.56 4.81 -1.99 -0.08 114.58 121.15 3gyr h GLU 226 Ca 0.04 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 3gyr h GLU 226 Cb 0.91 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 3gyr h GLU 226 CO 0.08 0.44 0.09 1.49 -0.73 0.00 0.00 179.01 180.37 3gyr h GLU 227 N 0.29 1.02 -0.98 1.92 4.81 -1.97 -2.45 114.58 117.22 3gyr h GLU 227 Ca 0.09 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.09 3gyr h GLU 227 Cb 0.18 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 3gyr h GLU 227 CO -0.01 0.96 0.64 -0.44 -0.73 0.00 0.00 179.01 179.43 3gyr h ASP 228 N 0.92 1.04 0.13 1.04 3.32 -0.91 -1.55 116.42 120.42 3gyr h ASP 228 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3gyr h ASP 228 Cb 0.44 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3gyr h ASP 228 CO 0.01 0.69 0.00 0.00 -1.72 0.00 0.00 179.24 178.22 3gyr n ALA 229 N -2.36 1.16 1.06 3.45 0.00 -0.07 -1.26 120.51 122.47 3gyr n ALA 229 Ca 0.14 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.79 3gyr n ALA 229 Cb 0.14 -1.19 0.51 0.00 0.00 0.00 0.00 19.45 18.91 3gyr n ALA 229 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gyr n LEU 230 N -1.87 0.21 -4.00 0.00 4.77 -0.58 -4.96 117.00 110.57 3gyr n LEU 230 Ca 0.00 0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 3gyr n LEU 230 Cb 0.06 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 3gyr n LEU 230 CO 0.07 0.05 -0.26 0.61 -1.33 0.00 0.00 177.39 176.53 3gyr n GLY 231 N 1.47 -0.22 3.77 -0.72 0.00 -0.39 -4.94 105.19 104.16 3gyr n GLY 231 Ca 0.08 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -7.02 3.42 0.23 0.99 1.43 -1.26 -4.96 118.68 111.50 3gyr s LEU 232 Ca 0.02 2.02 -0.31 0.00 -1.03 0.00 0.00 54.13 54.83 3gyr s LEU 232 Cb -0.01 -4.55 -0.15 0.00 0.03 0.00 0.00 46.19 41.51 3gyr s LEU 232 CO 0.90 -1.59 1.17 -2.65 0.23 0.00 0.00 176.35 174.41 3gyr n PRO 233 N -2.31 1.42 -3.33 1.29 -0.02 -1.26 -4.96 135.00 125.83 3gyr n PRO 233 Ca 0.10 0.50 -0.11 0.00 -2.02 0.00 0.00 63.50 61.98 3gyr n PRO 233 Cb 0.52 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.77 -0.82 0.00 2.55 3.41 -1.26 -4.34 113.62 114.93 3gyr n SER 234 Ca 0.12 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 3gyr n SER 234 Cb 0.29 1.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.83 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 -0.41 3.37 0.50 5.00 0.00 -1.26 -1.35 105.19 111.04 3gyr n GLY 235 Ca 0.02 -0.17 0.29 0.00 0.00 0.00 0.00 46.02 46.17 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 1.35 0.00 -0.35 1.61 5.19 -2.03 -2.12 116.42 120.06 3gyr h ASP 236 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3gyr h ASP 236 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3gyr h ASP 236 CO 0.00 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.66 3gyr n ARG 237 N -3.69 2.31 -3.88 3.56 1.74 -0.46 -4.78 116.66 111.47 3gyr n ARG 237 Ca 0.20 -2.12 -0.35 0.00 -0.77 0.00 0.00 57.85 54.81 3gyr n ARG 237 Cb 1.19 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 31.06 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 -1.29 3.35 -0.18 5.56 2.12 -0.80 -0.54 118.70 126.91 3gyr s GLU 238 Ca 0.33 -0.65 0.01 0.00 0.36 0.00 0.00 54.97 55.02 3gyr s GLU 238 Cb 0.19 -3.08 0.03 0.00 0.26 0.00 0.00 34.13 31.53 3gyr s GLU 238 CO 0.27 -0.23 -0.14 0.42 -0.54 0.00 0.00 175.26 175.03 3gyr s ILE 239 N 1.49 1.77 0.25 -3.70 1.01 0.60 -4.77 121.20 117.85 3gyr s ILE 239 Ca 0.05 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 3gyr s ILE 239 Cb -0.15 -1.72 -0.09 0.00 0.01 0.00 0.00 42.46 40.51 3gyr s ILE 239 CO -0.02 0.35 1.16 -2.84 0.00 0.00 0.00 174.94 173.59 3gyr s PRO 240 N 1.37 4.55 -0.25 2.79 0.02 -1.26 -1.79 135.00 140.44 3gyr s PRO 240 Ca 0.02 1.87 0.01 0.00 0.02 0.00 0.00 61.00 62.92 3gyr s PRO 240 Cb -0.14 -3.20 0.06 0.00 0.02 0.00 0.00 34.50 31.24 3gyr s PRO 240 CO -0.10 0.05 -0.04 -0.51 -0.33 0.00 0.00 177.00 176.07 3gyr s LEU 241 N -1.00 2.75 -0.52 -5.54 1.43 -0.36 -4.87 118.68 110.56 3gyr s LEU 241 Ca 0.48 -1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 52.15 3gyr s LEU 241 Cb -0.33 -1.21 0.12 0.00 0.03 0.00 0.00 46.19 44.79 3gyr s LEU 241 CO 0.40 -0.25 0.48 -0.76 0.23 0.00 0.00 176.35 176.45 3gyr s LEU 242 N 1.36 6.05 0.14 1.79 1.02 -1.26 -1.34 118.68 126.43 3gyr s LEU 242 Ca -0.04 -1.67 -0.10 0.00 0.02 0.00 0.00 54.13 52.34 3gyr s LEU 242 Cb -0.19 -2.21 -0.06 0.00 0.02 0.00 0.00 46.19 43.75 3gyr s LEU 242 CO -0.07 -0.81 0.46 0.27 0.02 0.00 0.00 176.35 176.22 3gyr s ILE 243 N 1.63 5.02 -0.28 -0.59 -4.36 -0.71 -1.06 121.20 120.84 3gyr s ILE 243 Ca 0.03 0.46 -0.20 0.00 -0.26 0.00 0.00 60.65 60.68 3gyr s ILE 243 Cb -0.29 -3.65 0.11 0.00 1.25 0.00 0.00 42.46 39.89 3gyr s ILE 243 CO 0.04 0.14 0.89 0.00 0.24 0.00 0.00 174.94 176.25 3gyr s ALA 244 N -1.57 -2.01 0.37 2.27 0.00 -0.16 0.62 121.76 121.29 3gyr s ALA 244 Ca 0.39 2.12 -0.13 0.00 0.00 0.00 0.00 51.96 54.34 3gyr s ALA 244 Cb -0.13 -1.48 -0.08 0.00 0.00 0.00 0.00 23.12 21.43 3gyr s ALA 244 CO 0.20 -0.32 0.77 0.16 0.00 0.00 0.00 175.76 176.57 3gyr s ASP 245 N 0.89 6.64 0.03 0.00 -4.77 -1.26 0.16 116.67 118.36 3gyr s ASP 245 Ca -0.04 1.23 0.01 0.00 -3.30 0.00 0.00 52.55 50.44 3gyr s ASP 245 Cb -0.05 -2.36 -0.02 0.00 -1.09 0.00 0.00 42.92 39.41 3gyr s ASP 245 CO -0.11 -0.32 -0.05 -0.13 0.70 0.00 0.00 175.17 175.26 3gyr s ARG 246 N -3.48 0.37 0.30 2.11 1.81 0.31 -4.82 118.95 115.56 3gyr s ARG 246 Ca 0.53 -0.62 0.09 0.00 -1.72 0.00 0.00 55.73 54.00 3gyr s ARG 246 Cb -0.10 -0.04 -0.04 0.00 -0.45 0.00 0.00 34.95 34.32 3gyr s ARG 246 CO 0.25 -0.01 0.10 1.21 -0.68 0.00 0.00 175.30 176.16 3gyr s ASN 247 N -1.41 4.72 0.11 0.23 3.84 -1.25 -2.05 114.94 119.13 3gyr s ASN 247 Ca -0.13 -0.67 0.05 0.00 0.21 0.00 0.00 52.86 52.32 3gyr s ASN 247 Cb -0.09 -0.84 -0.04 0.00 -0.55 0.00 0.00 41.25 39.73 3gyr s ASN 247 CO -0.00 -0.16 -0.12 -0.76 -2.79 0.00 0.00 177.10 173.26 3gyr s LEU 248 N -3.78 2.41 0.53 3.21 1.43 -1.26 -1.48 118.68 119.74 3gyr s LEU 248 Ca 0.35 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 3gyr s LEU 248 Cb -0.04 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 45.74 3gyr s LEU 248 CO 0.22 -0.21 0.84 -0.62 0.23 0.00 0.00 176.35 176.81 3gyr s ASP 249 N -2.48 5.94 0.14 2.29 -1.08 -0.34 -0.95 116.67 120.20 3gyr s ASP 249 Ca 0.07 0.82 0.07 0.00 -0.52 0.00 0.00 52.55 52.99 3gyr s ASP 249 Cb -0.04 -1.98 -0.04 0.00 -1.46 0.00 0.00 42.92 39.41 3gyr s ASP 249 CO 0.01 -0.81 -0.15 0.42 0.52 0.00 0.00 175.17 175.17 3gyr s THR 250 N -2.86 1.46 1.01 1.71 -4.23 -1.26 -1.26 115.64 110.22 3gyr s THR 250 Ca 0.51 -1.79 -0.16 0.00 -1.18 0.00 0.00 61.69 59.07 3gyr s THR 250 Cb -0.10 -1.63 0.21 0.00 1.34 0.00 0.00 72.50 72.31 3gyr s THR 250 CO 0.45 -0.40 1.25 -1.81 -0.54 0.00 0.00 174.62 173.57 3gyr s ASP 251 N -2.54 2.71 0.35 3.99 1.01 0.63 -4.86 116.67 117.96 3gyr s ASP 251 Ca 0.11 0.44 0.08 0.00 0.71 0.00 0.00 52.55 53.89 3gyr s ASP 251 Cb -0.05 -0.60 0.78 0.00 1.01 0.00 0.00 42.92 44.06 3gyr s ASP 251 CO 0.04 -3.00 1.88 -0.33 0.21 0.00 0.00 175.17 173.97 3gyr h GLU 252 N -1.82 0.71 -0.04 8.23 5.08 -2.02 0.47 114.58 125.20 3gyr h GLU 252 Ca -0.45 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3gyr h GLU 252 Cb 1.26 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3gyr h GLU 252 CO 0.41 0.47 0.00 -0.40 -1.00 0.00 0.00 179.01 178.49 3gyr n ASP 253 N -4.55 0.28 -0.00 1.42 5.75 -1.26 -4.90 116.55 113.28 3gyr n ASP 253 Ca 0.16 -1.70 -0.00 0.00 -0.01 0.00 0.00 54.79 53.24 3gyr n ASP 253 Cb 0.42 -0.03 -0.00 0.00 -1.03 0.00 0.00 41.12 40.49 3gyr n ASP 253 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gyr n GLY 254 N 0.73 0.48 3.77 6.12 0.00 0.17 -5.03 105.19 111.42 3gyr n GLY 254 Ca 0.09 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.24 4.41 0.21 1.61 1.81 -1.26 -4.66 118.95 120.83 3gyr s ARG 255 Ca 0.00 2.08 -0.31 0.00 -1.72 0.00 0.00 55.73 55.79 3gyr s ARG 255 Cb 0.00 -3.08 -0.10 0.00 -0.45 0.00 0.00 34.95 31.33 3gyr s ARG 255 CO 0.00 -0.09 1.47 -0.51 -0.68 0.00 0.00 175.30 175.49 3gyr s LEU 256 N -1.75 4.38 0.00 2.53 1.43 -1.26 -0.27 118.68 123.74 3gyr s LEU 256 Ca 0.48 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 56.21 3gyr s LEU 256 Cb -0.37 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.24 3gyr s LEU 256 CO 0.49 -0.73 0.90 -0.46 0.23 0.00 0.00 176.35 176.78 3gyr n ASN 257 N 2.91 1.79 0.00 2.29 0.23 -0.39 -4.83 115.26 117.26 3gyr n ASN 257 Ca 0.09 -1.79 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 3gyr n ASN 257 Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.40 1.45 3.72 4.83 0.00 -1.26 -4.69 105.19 108.83 3gyr n GLY 258 Ca 0.00 0.00 -0.41 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 -0.30 4.56 0.20 1.61 0.52 -1.26 -4.49 118.95 119.79 3gyr s ARG 259 Ca 0.00 1.31 -0.32 0.00 -0.52 0.00 0.00 55.73 56.20 3gyr s ARG 259 Cb 0.00 -3.44 -0.11 0.00 0.52 0.00 0.00 34.95 31.92 3gyr s ARG 259 CO 0.00 0.04 1.64 -0.51 0.02 0.00 0.00 175.30 176.49 3gyr s LEU 260 N 0.73 4.37 -0.14 2.53 1.43 -1.26 -1.20 118.68 125.15 3gyr s LEU 260 Ca 0.48 2.78 -0.01 0.00 -1.03 0.00 0.00 54.13 56.35 3gyr s LEU 260 Cb -0.21 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.45 3gyr s LEU 260 CO 0.26 -0.90 -0.04 -0.22 0.23 0.00 0.00 176.35 175.68 3gyr s LEU 261 N 0.90 1.30 -0.78 1.79 2.96 -0.55 -1.08 118.68 123.22 3gyr s LEU 261 Ca 0.71 -0.49 -0.19 0.00 -0.22 0.00 0.00 54.13 53.94 3gyr s LEU 261 Cb -0.47 -0.79 0.12 0.00 0.50 0.00 0.00 46.19 45.55 3gyr s LEU 261 CO 0.34 -0.18 0.96 -2.28 -1.32 0.00 0.00 176.35 173.87 3gyr s HIS 262 N 1.73 3.06 -0.32 5.38 5.65 0.14 -3.84 115.29 127.08 3gyr s HIS 262 Ca 0.02 -1.17 -0.07 0.00 0.25 0.00 0.00 55.06 54.09 3gyr s HIS 262 Cb -0.14 -4.18 0.02 0.00 -1.18 0.00 0.00 32.58 27.10 3gyr s HIS 262 CO -0.07 -1.43 0.09 0.21 -0.65 0.00 0.00 174.74 172.89 3gyr s LYS 263 N 2.73 2.87 0.39 2.88 2.20 -1.26 -2.08 119.74 127.47 3gyr s LYS 263 Ca 0.24 -1.01 0.08 0.00 -0.36 0.00 0.00 55.97 54.92 3gyr s LYS 263 Cb -0.12 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 3gyr s LYS 263 CO -0.02 -0.55 0.32 0.95 -0.36 0.00 0.00 175.35 175.69 3gyr s THR 264 N 1.46 2.84 -0.15 3.43 -4.23 -1.08 -4.53 115.64 113.38 3gyr s THR 264 Ca 0.01 -1.41 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 3gyr s THR 264 Cb -0.18 -3.04 0.01 0.00 1.34 0.00 0.00 72.50 70.63 3gyr s THR 264 CO 0.03 -0.05 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.17 3gyr s VAL 265 N -2.45 2.26 -0.13 2.29 1.01 -1.26 -0.59 120.40 121.53 3gyr s VAL 265 Ca 0.45 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 3gyr s VAL 265 Cb -0.03 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3gyr s VAL 265 CO 0.27 0.54 1.20 -0.63 0.00 0.00 0.00 175.10 176.47 3gyr s ILE 266 N 0.85 4.34 -0.94 2.22 1.01 0.23 -1.17 121.20 127.74 3gyr s ILE 266 Ca -0.06 1.64 0.15 0.00 0.00 0.00 0.00 60.65 62.39 3gyr s ILE 266 Cb -0.15 -4.06 -0.11 0.00 0.01 0.00 0.00 42.46 38.15 3gyr s ILE 266 CO -0.02 -0.08 0.70 1.33 0.00 0.00 0.00 174.94 176.87 3gyr n VAL 267 N 5.04 0.00 -3.40 2.92 0.24 -0.62 -2.68 118.33 119.83 3gyr n VAL 267 Ca 0.12 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 3gyr n VAL 267 Cb 0.46 1.06 -0.10 0.00 -1.47 0.00 0.00 33.84 33.79 3gyr n VAL 267 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3gyr s GLN 268 N -2.24 0.30 0.39 7.34 0.74 -1.15 -5.04 119.66 120.00 3gyr s GLN 268 Ca 0.08 0.25 0.07 0.00 0.05 0.00 0.00 55.36 55.81 3gyr s GLN 268 Cb 0.12 -0.71 0.79 0.00 1.10 0.00 0.00 33.01 34.30 3gyr s GLN 268 CO 0.55 -0.77 1.97 0.37 -0.55 0.00 0.00 175.29 176.86 3gyr h GLN 269 N 8.24 0.44 -2.68 1.67 5.75 -1.89 -2.21 115.11 124.42 3gyr h GLN 269 Ca -0.16 -0.06 -0.35 0.00 -0.15 0.00 0.00 58.65 57.92 3gyr h GLN 269 Cb 1.13 -0.08 -0.37 0.00 1.07 0.00 0.00 27.48 29.23 3gyr h GLN 269 CO 0.29 0.40 -0.66 0.45 -2.65 0.00 0.00 178.83 176.66 3gyr s SER 270 N -6.77 1.57 0.29 -0.69 0.15 -1.26 -3.47 113.70 103.53 3gyr s SER 270 Ca -0.07 -0.28 -0.29 0.00 0.70 0.00 0.00 55.95 56.00 3gyr s SER 270 Cb 0.16 0.23 -0.10 0.00 -1.71 0.00 0.00 66.02 64.60 3gyr s SER 270 CO 0.74 -0.33 1.19 0.21 1.20 0.00 0.00 173.24 176.25 3gyr s ASN 271 N 2.28 7.05 0.57 5.45 2.47 -0.65 -4.92 114.94 127.18 3gyr s ASN 271 Ca 0.05 2.43 0.37 0.00 0.42 0.00 0.00 52.86 56.14 3gyr s ASN 271 Cb -0.16 -2.63 1.85 0.00 -1.45 0.00 0.00 41.25 38.87 3gyr s ASN 271 CO -0.11 -0.32 2.13 -0.65 -3.72 0.00 0.00 177.10 174.43 3gyr h PRO 272 N 3.80 0.00 0.00 0.43 0.11 -1.94 -3.25 132.00 131.15 3gyr h PRO 272 Ca -0.47 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.26 3gyr h PRO 272 Cb 1.22 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 3gyr h PRO 272 CO 0.67 0.00 -2.42 0.39 -0.21 0.00 0.00 178.00 176.43 3gyr n GLU 273 N -2.94 0.64 -3.65 1.05 1.02 -1.26 -4.95 120.64 110.56 3gyr n GLU 273 Ca -0.01 0.13 -0.21 0.00 -0.02 0.00 0.00 57.16 57.04 3gyr n GLU 273 Cb 0.16 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.04 3gyr n GLU 273 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3gyr s THR 274 N -2.50 2.70 -0.33 2.62 -4.23 -1.23 -5.01 115.64 107.67 3gyr s THR 274 Ca -0.32 -1.39 0.27 0.00 -1.18 0.00 0.00 61.69 59.08 3gyr s THR 274 Cb 0.08 -3.01 0.33 0.00 1.34 0.00 0.00 72.50 71.24 3gyr s THR 274 CO 0.60 -0.02 1.78 1.23 -0.54 0.00 0.00 174.62 177.67 3gyr h GLY 275 N 1.10 0.00 -1.44 3.99 0.00 -1.93 -3.30 103.07 101.49 3gyr h GLY 275 Ca -0.42 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.41 3gyr h GLY 275 CO 0.59 0.00 0.36 0.54 0.00 0.00 0.00 176.54 178.03 3gyr s LYS 276 N -3.36 3.49 0.85 4.80 1.02 -1.26 -4.00 119.74 121.28 3gyr s LYS 276 Ca 0.05 0.61 -0.11 0.00 0.02 0.00 0.00 55.97 56.54 3gyr s LYS 276 Cb 0.08 -2.13 0.10 0.00 -0.52 0.00 0.00 37.83 35.37 3gyr s LYS 276 CO 0.56 -0.57 1.10 -2.14 -0.92 0.00 0.00 175.35 173.38 3gyr s PRO 277 N -5.12 1.65 -0.13 -1.68 0.02 -1.23 -1.64 135.00 126.87 3gyr s PRO 277 Ca 0.54 1.11 -0.01 0.00 0.02 0.00 0.00 61.00 62.65 3gyr s PRO 277 Cb -0.11 -1.83 0.04 0.00 0.02 0.00 0.00 34.50 32.62 3gyr s PRO 277 CO 0.52 -2.05 -0.02 0.08 -0.33 0.00 0.00 177.00 175.20 3gyr s VAL 278 N -2.86 0.72 0.27 3.83 1.01 -0.83 -4.88 120.40 117.66 3gyr s VAL 278 Ca 0.63 -0.30 0.11 0.00 0.00 0.00 0.00 61.98 62.42 3gyr s VAL 278 Cb -0.18 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3gyr s VAL 278 CO 0.57 0.14 -0.15 -0.94 0.00 0.00 0.00 175.10 174.71 3gyr s SER 279 N 1.81 3.82 0.79 3.32 1.04 -1.26 -1.59 113.70 121.63 3gyr s SER 279 Ca 0.03 -0.92 -0.09 0.00 0.48 0.00 0.00 55.95 55.44 3gyr s SER 279 Cb -0.14 -0.43 0.11 0.00 0.10 0.00 0.00 66.02 65.66 3gyr s SER 279 CO -0.07 0.04 1.12 0.27 0.98 0.00 0.00 173.24 175.58 3gyr s ILE 280 N -2.42 2.14 1.27 -1.02 -4.36 -0.32 -4.93 121.20 111.56 3gyr s ILE 280 Ca 0.30 -0.20 -0.19 0.00 -0.26 0.00 0.00 60.65 60.30 3gyr s ILE 280 Cb -0.06 -2.94 0.31 0.00 1.25 0.00 0.00 42.46 41.03 3gyr s ILE 280 CO 0.16 0.00 1.02 -2.84 0.24 0.00 0.00 174.94 173.52 3gyr s PRO 281 N -5.46 -1.75 -0.14 0.37 0.02 -1.26 -4.46 135.00 122.32 3gyr s PRO 281 Ca 0.65 0.23 -0.28 0.00 0.02 0.00 0.00 61.00 61.62 3gyr s PRO 281 Cb -0.08 -1.51 -0.01 0.00 0.02 0.00 0.00 34.50 32.92 3gyr s PRO 281 CO 0.48 -4.12 0.98 0.12 -0.33 0.00 0.00 177.00 174.12 3gyr s PHE 282 N -2.60 3.46 0.01 6.54 5.36 -1.26 -4.67 117.98 124.81 3gyr s PHE 282 Ca 0.69 1.50 0.05 0.00 -0.96 0.00 0.00 56.93 58.21 3gyr s PHE 282 Cb -0.15 -3.17 -0.02 0.00 -0.34 0.00 0.00 43.02 39.35 3gyr s PHE 282 CO 0.59 -0.28 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.85 3gyr s PHE 283 N 2.28 1.38 0.11 10.12 0.08 -1.26 -3.88 117.98 126.81 3gyr s PHE 283 Ca 0.45 -0.29 0.03 0.00 0.12 0.00 0.00 56.93 57.24 3gyr s PHE 283 Cb -0.17 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.37 3gyr s PHE 283 CO 0.14 0.00 -0.08 0.20 -0.10 0.00 0.00 175.22 175.39 3gyr s GLY 284 N -0.63 0.85 0.24 4.36 0.00 -1.26 -4.77 107.32 106.11 3gyr s GLY 284 Ca 0.05 -1.34 0.11 0.00 0.00 0.00 0.00 44.72 43.54 3gyr s GLY 284 CO 0.00 -1.44 1.49 -2.55 0.00 0.00 0.00 173.10 170.60 3gyr h PRO 285 N 3.06 0.00 -5.43 2.90 0.11 -1.66 -3.41 132.00 127.57 3gyr h PRO 285 Ca -0.36 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.12 3gyr h PRO 285 Cb 1.18 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.15 3gyr h PRO 285 CO 0.62 0.69 -0.54 0.71 -0.21 0.00 0.00 178.00 179.27 3gyr s TYR 286 N -3.18 3.34 -0.27 0.65 1.51 -0.87 -4.36 117.35 114.16 3gyr s TYR 286 Ca 0.01 0.22 -0.14 0.00 -1.01 0.00 0.00 57.07 56.15 3gyr s TYR 286 Cb 0.11 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 3gyr s TYR 286 CO 0.77 0.33 0.32 0.99 -1.11 0.00 0.00 175.55 176.85 3gyr s THR 287 N -0.06 5.22 -0.10 -0.71 2.01 -1.26 -0.53 115.64 120.20 3gyr s THR 287 Ca 0.07 0.46 -0.09 0.00 0.31 0.00 0.00 61.69 62.44 3gyr s THR 287 Cb -0.12 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3gyr s THR 287 CO 0.01 0.19 0.20 0.42 -0.69 0.00 0.00 174.62 174.75 3gyr s THR 288 N 1.93 5.39 -0.14 -0.82 -4.23 0.12 -1.85 115.64 116.05 3gyr s THR 288 Ca 0.13 0.36 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 3gyr s THR 288 Cb -0.16 -3.48 0.01 0.00 1.34 0.00 0.00 72.50 70.21 3gyr s THR 288 CO 0.10 0.59 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.88 3gyr s VAL 289 N -0.90 1.95 -1.59 2.29 1.01 0.32 -0.98 120.40 122.50 3gyr s VAL 289 Ca 0.17 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 3gyr s VAL 289 Cb -0.13 -1.74 0.14 0.00 0.00 0.00 0.00 36.38 34.65 3gyr s VAL 289 CO 0.06 0.53 0.75 0.59 0.00 0.00 0.00 175.10 177.02 3gyr n ASN 290 N 4.17 -3.55 0.00 3.32 3.02 -0.22 -1.78 115.26 120.21 3gyr n ASN 290 Ca -0.20 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 3gyr n ASN 290 Cb 0.51 -2.91 0.00 0.00 -0.61 0.00 0.00 39.78 36.78 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 -1.36 0.45 3.10 7.41 0.00 -1.26 -4.39 105.19 109.13 3gyr n GLY 291 Ca 0.06 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.89 1.38 0.01 1.61 0.52 -0.73 -4.52 118.95 116.33 3gyr s ARG 292 Ca 0.00 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.39 3gyr s ARG 292 Cb 0.00 -1.27 -0.05 0.00 0.52 0.00 0.00 34.95 34.15 3gyr s ARG 292 CO 0.00 0.25 1.32 0.42 0.02 0.00 0.00 175.30 177.31 3gyr s ILE 293 N -0.08 3.84 -1.12 1.52 1.01 0.09 -0.52 121.20 125.94 3gyr s ILE 293 Ca 0.00 1.24 -0.24 0.00 0.00 0.00 0.00 60.65 61.65 3gyr s ILE 293 Cb -0.09 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.60 3gyr s ILE 293 CO 0.01 0.02 0.72 0.79 0.00 0.00 0.00 174.94 176.48 3gyr n TRP 294 N 4.97 -1.73 -1.94 3.97 8.01 -0.77 -4.68 117.44 125.26 3gyr n TRP 294 Ca 0.12 0.35 -0.30 0.00 -1.31 0.00 0.00 57.50 56.36 3gyr n TRP 294 Cb 0.44 -3.08 0.03 0.00 -2.01 0.00 0.00 31.31 26.69 3gyr n TRP 294 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 3gyr s PRO 295 N -6.39 3.25 0.11 -0.99 0.04 -1.26 -0.02 135.00 129.74 3gyr s PRO 295 Ca 0.41 0.56 0.04 0.00 0.04 0.00 0.00 61.00 62.05 3gyr s PRO 295 Cb -0.19 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3gyr s PRO 295 CO 0.91 -0.75 0.10 1.52 0.04 0.00 0.00 177.00 178.82 3gyr s TYR 296 N -3.22 3.18 -0.13 0.56 -0.85 -0.54 -2.20 117.35 114.14 3gyr s TYR 296 Ca 0.56 0.05 0.00 0.00 -0.52 0.00 0.00 57.07 57.16 3gyr s TYR 296 Cb -0.11 -1.59 0.02 0.00 0.38 0.00 0.00 41.96 40.67 3gyr s TYR 296 CO 0.52 0.52 -0.11 0.00 -1.52 0.00 0.00 175.55 174.96 3gyr s ALA 297 N -1.50 1.59 -0.18 9.51 0.00 0.18 0.07 121.76 131.42 3gyr s ALA 297 Ca 0.30 -0.72 -0.26 0.00 0.00 0.00 0.00 51.96 51.27 3gyr s ALA 297 Cb -0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 3gyr s ALA 297 CO 0.22 -0.38 0.89 -0.51 0.00 0.00 0.00 175.76 175.99 3gyr s ASP 298 N 1.56 7.01 0.09 0.00 1.01 -1.26 -0.35 116.67 124.73 3gyr s ASP 298 Ca 0.04 1.25 0.02 0.00 0.71 0.00 0.00 52.55 54.56 3gyr s ASP 298 Cb -0.13 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3gyr s ASP 298 CO -0.09 -0.46 -0.06 0.68 0.21 0.00 0.00 175.17 175.45 3gyr s VAL 299 N 2.37 0.65 0.40 -1.27 -7.23 -0.58 -4.94 120.40 109.80 3gyr s VAL 299 Ca 0.40 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.69 3gyr s VAL 299 Cb -0.16 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 3gyr s VAL 299 CO 0.12 -0.85 0.64 -1.81 -0.31 0.00 0.00 175.10 172.88 3gyr s ASP 300 N -2.94 6.27 -1.03 4.85 1.01 -1.26 -0.49 116.67 123.07 3gyr s ASP 300 Ca 0.10 0.62 -0.07 0.00 0.71 0.00 0.00 52.55 53.92 3gyr s ASP 300 Cb 0.04 -2.10 -0.06 0.00 1.01 0.00 0.00 42.92 41.82 3gyr s ASP 300 CO -0.05 -0.41 2.25 -0.90 0.21 0.00 0.00 175.17 176.27 3gyr n ASP 301 N -1.97 5.53 -0.53 0.27 5.75 -0.73 -4.77 116.55 120.09 3gyr n ASP 301 Ca -0.03 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 3gyr n ASP 301 Cb 0.56 -1.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.47 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 3.75 5.43 3.74 6.12 0.00 -1.26 -3.74 105.19 119.22 3gyr n GLY 302 Ca 0.50 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.74 3.89 0.15 1.61 0.52 -1.26 -0.99 118.94 122.11 3gyr s TRP 303 Ca 0.00 1.85 0.06 0.00 0.02 0.00 0.00 56.10 58.03 3gyr s TRP 303 Cb 0.00 -3.03 -0.04 0.00 -1.15 0.00 0.00 33.47 29.25 3gyr s TRP 303 CO 0.00 0.28 -0.13 0.71 0.02 0.00 0.00 176.95 177.83 3gyr s TYR 304 N -0.63 1.44 -0.12 -1.98 1.51 -0.67 -4.87 117.35 112.03 3gyr s TYR 304 Ca 0.44 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 3gyr s TYR 304 Cb -0.25 -0.73 0.01 0.00 -0.11 0.00 0.00 41.96 40.89 3gyr s TYR 304 CO 0.31 0.18 -0.16 0.50 -1.11 0.00 0.00 175.55 175.27 3gyr s ARG 305 N -3.15 2.34 -0.11 -0.62 3.52 0.30 -0.04 118.95 121.18 3gyr s ARG 305 Ca 0.14 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 3gyr s ARG 305 Cb -0.02 -1.98 -0.02 0.00 -1.56 0.00 0.00 34.95 31.37 3gyr s ARG 305 CO 0.03 -0.07 -0.12 -0.51 -0.81 0.00 0.00 175.30 173.83 3gyr s LEU 306 N 0.99 2.83 -0.83 -0.88 1.43 0.15 -0.29 118.68 122.08 3gyr s LEU 306 Ca -0.06 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 3gyr s LEU 306 Cb -0.15 -1.63 0.22 0.00 0.03 0.00 0.00 46.19 44.66 3gyr s LEU 306 CO -0.02 0.23 0.75 -0.13 0.23 0.00 0.00 176.35 177.40 3gyr s ARG 307 N -0.02 3.45 -0.19 1.70 1.81 -0.74 -0.65 118.95 124.32 3gyr s ARG 307 Ca -0.03 -2.64 -0.18 0.00 -1.72 0.00 0.00 55.73 51.17 3gyr s ARG 307 Cb -0.14 -4.27 -0.04 0.00 -0.45 0.00 0.00 34.95 30.05 3gyr s ARG 307 CO 0.04 -1.26 0.47 -1.17 -0.68 0.00 0.00 175.30 172.70 3gyr s LEU 308 N -0.18 4.17 -0.03 2.53 1.98 0.21 -1.23 118.68 126.13 3gyr s LEU 308 Ca 0.20 0.64 0.04 0.00 -2.89 0.00 0.00 54.13 52.12 3gyr s LEU 308 Cb -0.12 -2.64 -0.00 0.00 0.66 0.00 0.00 46.19 44.09 3gyr s LEU 308 CO -0.08 -0.12 -0.14 0.54 -1.89 0.00 0.00 176.35 174.66 3gyr s VAL 309 N 1.37 1.15 -0.49 1.68 0.11 -0.45 0.13 120.40 123.89 3gyr s VAL 309 Ca 0.23 -0.58 -0.22 0.00 -2.93 0.00 0.00 61.98 58.48 3gyr s VAL 309 Cb -0.15 -0.98 0.04 0.00 -1.53 0.00 0.00 36.38 33.75 3gyr s VAL 309 CO 0.09 0.33 0.77 0.21 -3.33 0.00 0.00 175.10 173.17 3gyr s ASN 310 N -0.03 6.32 -0.07 3.54 2.47 -1.18 -1.74 114.94 124.26 3gyr s ASN 310 Ca -0.01 -0.44 0.15 0.00 0.42 0.00 0.00 52.86 52.99 3gyr s ASN 310 Cb -0.09 -2.37 0.57 0.00 -1.45 0.00 0.00 41.25 37.91 3gyr s ASN 310 CO 0.01 -0.99 1.45 0.00 -3.72 0.00 0.00 177.10 173.86 3gyr n ALA 311 N 6.74 2.85 -1.72 1.71 0.00 0.20 0.21 120.51 130.50 3gyr n ALA 311 Ca -0.01 -1.21 -0.34 0.00 0.00 0.00 0.00 53.44 51.88 3gyr n ALA 311 Cb 0.47 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.86 5.68 0.25 0.00 0.01 -1.23 -4.86 113.70 112.68 3gyr s SER 312 Ca 0.41 2.10 -0.04 0.00 1.31 0.00 0.00 55.95 59.73 3gyr s SER 312 Cb 0.25 -2.57 0.44 0.00 0.21 0.00 0.00 66.02 64.35 3gyr s SER 312 CO 0.22 -1.24 1.77 0.78 0.41 0.00 0.00 173.24 175.18 3gyr h ASN 313 N 0.98 0.52 0.00 2.44 4.21 -1.88 -3.43 115.58 118.42 3gyr h ASN 313 Ca -0.49 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.09 3gyr h ASN 313 Cb 1.25 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 3gyr h ASN 313 CO 0.57 0.26 0.00 0.00 -1.29 0.00 0.00 177.43 176.97 3gyr n ALA 314 N -2.42 0.04 -1.74 -0.83 0.00 -1.25 -0.85 120.51 113.46 3gyr n ALA 314 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 3gyr n ALA 314 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.19 4.13 -0.33 0.00 3.52 -1.26 -4.73 118.95 120.09 3gyr s ARG 315 Ca 0.00 2.60 -0.19 0.00 -0.13 0.00 0.00 55.73 58.01 3gyr s ARG 315 Cb 0.00 -3.07 -0.01 0.00 -1.56 0.00 0.00 34.95 30.31 3gyr s ARG 315 CO 0.00 -0.74 0.57 0.42 -0.81 0.00 0.00 175.30 174.75 3gyr s ILE 316 N 1.06 4.97 -0.17 4.11 1.01 -1.26 -3.80 121.20 127.11 3gyr s ILE 316 Ca 0.73 0.60 -0.25 0.00 0.00 0.00 0.00 60.65 61.74 3gyr s ILE 316 Cb -0.49 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 37.98 3gyr s ILE 316 CO 0.34 -0.18 0.81 -0.31 0.00 0.00 0.00 174.94 175.60 3gyr s TYR 317 N 2.51 3.42 -0.81 3.97 2.02 -0.58 -4.91 117.35 122.98 3gyr s TYR 317 Ca 0.22 1.23 -0.12 0.00 -0.37 0.00 0.00 57.07 58.03 3gyr s TYR 317 Cb -0.15 -2.99 0.21 0.00 -0.40 0.00 0.00 41.96 38.63 3gyr s TYR 317 CO 0.13 -0.23 0.73 -0.80 -1.57 0.00 0.00 175.55 173.81 3gyr s ASN 318 N 1.15 6.51 0.22 2.29 -0.87 -1.26 -0.26 114.94 122.72 3gyr s ASN 318 Ca 0.37 -2.79 -0.24 0.00 -1.57 0.00 0.00 52.86 48.63 3gyr s ASN 318 Cb -0.16 -2.14 -0.08 0.00 -0.02 0.00 0.00 41.25 38.84 3gyr s ASN 318 CO 0.12 -0.51 0.80 -0.76 -2.57 0.00 0.00 177.10 174.18 3gyr s LEU 319 N 0.01 4.45 -0.01 0.60 1.43 0.75 -0.78 118.68 125.13 3gyr s LEU 319 Ca 0.19 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.91 3gyr s LEU 319 Cb -0.12 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.55 3gyr s LEU 319 CO -0.08 0.09 -0.02 -0.69 0.23 0.00 0.00 176.35 175.88 3gyr s VAL 320 N -1.38 0.20 -0.28 -1.59 1.01 0.25 -1.44 120.40 117.16 3gyr s VAL 320 Ca 0.41 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.18 3gyr s VAL 320 Cb -0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 3gyr s VAL 320 CO 0.24 0.09 0.52 -0.22 0.00 0.00 0.00 175.10 175.73 3gyr s LEU 321 N 0.34 4.12 0.18 3.92 2.96 -1.26 -0.39 118.68 128.55 3gyr s LEU 321 Ca -0.03 0.38 0.11 0.00 -0.22 0.00 0.00 54.13 54.37 3gyr s LEU 321 Cb -0.06 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 3gyr s LEU 321 CO -0.01 -0.34 -0.23 0.27 -1.32 0.00 0.00 176.35 174.73 3gyr s ILE 322 N 2.34 2.19 0.00 6.68 -4.36 0.37 -0.57 121.20 127.85 3gyr s ILE 322 Ca 0.21 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 3gyr s ILE 322 Cb -0.15 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.54 3gyr s ILE 322 CO 0.10 -0.15 0.00 -0.90 0.24 0.00 0.00 174.94 174.23 3gyr n ASP 323 N 0.35 0.00 0.26 4.36 5.68 -0.55 -0.15 116.55 126.51 3gyr n ASP 323 Ca -0.13 -0.62 0.14 0.00 -0.50 0.00 0.00 54.79 53.68 3gyr n ASP 323 Cb 0.56 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.25 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 -0.65 0.11 3.07 -1.90 0.35 114.58 115.56 3gyr h GLU 324 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gyr h GLU 324 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3gyr h GLU 324 CO 0.00 0.11 0.00 -0.25 -1.40 0.00 0.00 179.01 177.47 3gyr n ASP 325 N -3.46 4.75 0.00 1.42 8.00 -1.26 -4.94 116.55 121.06 3gyr n ASP 325 Ca -0.01 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 52.99 3gyr n ASP 325 Cb 0.27 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 3gyr n ASP 325 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gyr n ASP 326 N 1.02 -3.10 -4.67 -2.24 9.92 0.11 -4.98 116.55 112.60 3gyr n ASP 326 Ca 0.25 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.09 3gyr n ASP 326 Cb 0.91 -1.91 -0.03 0.00 -0.64 0.00 0.00 41.12 39.45 3gyr n ASP 326 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3gyr s ARG 327 N -0.93 4.24 0.27 -1.24 3.52 -1.26 -4.73 118.95 118.82 3gyr s ARG 327 Ca 0.00 1.92 -0.30 0.00 -0.13 0.00 0.00 55.73 57.22 3gyr s ARG 327 Cb 0.00 -3.75 -0.13 0.00 -1.56 0.00 0.00 34.95 29.50 3gyr s ARG 327 CO 0.00 -0.69 1.28 -2.30 -0.81 0.00 0.00 175.30 172.78 3gyr n PRO 328 N 6.27 1.86 -3.55 5.12 -0.02 -1.26 -1.48 135.00 141.94 3gyr n PRO 328 Ca 0.14 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 3gyr n PRO 328 Cb 0.44 -2.23 -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 -0.55 4.85 0.50 -1.45 1.01 0.27 -4.87 120.40 120.15 3gyr s VAL 329 Ca 0.63 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.90 3gyr s VAL 329 Cb -0.65 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.07 3gyr s VAL 329 CO 0.55 -0.22 0.72 -2.16 0.00 0.00 0.00 175.10 173.99 3gyr s PRO 330 N 1.61 2.82 -1.43 2.72 0.04 -1.26 -4.49 135.00 135.01 3gyr s PRO 330 Ca 0.03 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.45 3gyr s PRO 330 Cb -0.19 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.83 3gyr s PRO 330 CO 0.08 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.05 3gyr n GLY 331 N -2.21 1.41 0.00 0.56 0.00 -1.26 -4.81 105.19 98.89 3gyr n GLY 331 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.60 0.00 -4.15 1.61 0.31 -1.26 -4.93 118.33 107.31 3gyr n VAL 332 Ca -0.13 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.85 3gyr n VAL 332 Cb 0.44 -0.70 -0.09 0.00 -0.91 0.00 0.00 33.84 32.58 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 -1.79 4.68 -0.06 2.52 1.01 -1.26 -0.37 120.40 125.13 3gyr s VAL 333 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 3gyr s VAL 333 Cb 0.00 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.36 3gyr s VAL 333 CO 0.00 0.55 -0.03 -1.00 0.00 0.00 0.00 175.10 174.62 3gyr s HIS 334 N -0.35 0.76 0.04 5.22 3.76 -0.03 -1.17 115.29 123.52 3gyr s HIS 334 Ca 0.08 -0.23 -0.26 0.00 -0.15 0.00 0.00 55.06 54.51 3gyr s HIS 334 Cb -0.12 -0.77 -0.05 0.00 1.11 0.00 0.00 32.58 32.75 3gyr s HIS 334 CO 0.02 -0.28 0.81 -1.14 -0.85 0.00 0.00 174.74 173.30 3gyr s GLN 335 N 1.46 4.53 0.00 1.40 0.74 0.55 -0.58 119.66 127.75 3gyr s GLN 335 Ca -0.03 1.14 0.00 0.00 0.05 0.00 0.00 55.36 56.52 3gyr s GLN 335 Cb -0.13 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.60 3gyr s GLN 335 CO -0.03 0.23 0.22 0.44 -0.55 0.00 0.00 175.29 175.59 3gyr n ILE 336 N 2.98 0.00 -3.49 -2.34 -5.35 0.11 -0.97 119.36 110.30 3gyr n ILE 336 Ca -0.01 -0.47 -0.11 0.00 -0.27 0.00 0.00 62.75 61.89 3gyr n ILE 336 Cb 0.50 1.03 -0.03 0.00 -1.74 0.00 0.00 39.64 39.41 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 -0.50 -0.51 0.05 3.28 0.00 -1.14 0.15 107.32 108.64 3gyr s GLY 337 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 44.72 45.05 3gyr s GLY 337 CO 0.00 0.05 0.05 -1.14 0.00 0.00 0.00 173.10 172.06 3gyr n SER 338 N -0.35 -0.13 -0.32 1.64 3.41 0.19 -2.09 113.62 115.96 3gyr n SER 338 Ca -0.16 -1.31 0.23 0.00 -0.26 0.00 0.00 58.87 57.36 3gyr n SER 338 Cb 0.64 0.29 0.43 0.00 -0.26 0.00 0.00 64.21 65.31 3gyr n SER 338 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gyr n ASP 339 N -2.59 0.12 -0.91 4.04 8.00 -1.19 -0.32 116.55 123.70 3gyr n ASP 339 Ca 0.01 1.60 0.10 0.00 0.71 0.00 0.00 54.79 57.21 3gyr n ASP 339 Cb 0.09 -0.69 0.13 0.00 -0.02 0.00 0.00 41.12 40.63 3gyr n ASP 339 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gyr n GLY 340 N -1.36 1.08 0.00 0.44 0.00 -0.56 -4.50 105.19 100.30 3gyr n GLY 340 Ca 0.30 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 1.21 0.83 3.77 -0.02 0.00 0.57 -4.79 105.19 106.76 3gyr n GLY 341 Ca 0.14 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 3gyr n GLY 341 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gyr s LEU 342 N 0.00 4.33 0.70 0.99 1.43 -1.26 -0.64 118.68 124.23 3gyr s LEU 342 Ca 0.00 3.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.99 3gyr s LEU 342 Cb 0.00 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.58 3gyr s LEU 342 CO 0.00 -0.88 1.07 -0.76 0.23 0.00 0.00 176.35 176.01 3gyr s LEU 343 N -1.50 3.17 0.40 1.79 1.43 0.12 -4.77 118.68 119.33 3gyr s LEU 343 Ca 0.57 1.73 0.07 0.00 -1.03 0.00 0.00 54.13 55.46 3gyr s LEU 343 Cb -0.47 -4.51 0.84 0.00 0.03 0.00 0.00 46.19 42.08 3gyr s LEU 343 CO 0.57 -1.59 2.05 1.55 0.23 0.00 0.00 176.35 179.16 3gyr h PRO 344 N -0.64 0.55 -3.46 1.29 0.13 -1.88 -3.31 132.00 124.68 3gyr h PRO 344 Ca -0.44 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 3gyr h PRO 344 Cb 1.22 -0.12 -0.21 0.00 0.13 0.00 0.00 31.00 32.02 3gyr h PRO 344 CO 0.55 0.38 -0.47 1.03 -0.23 0.00 0.00 178.00 179.26 3gyr s ARG 345 N -5.48 0.49 0.39 0.86 0.52 -1.26 -1.19 118.95 113.28 3gyr s ARG 345 Ca -0.08 -0.35 -0.27 0.00 -0.52 0.00 0.00 55.73 54.51 3gyr s ARG 345 Cb 0.17 0.21 -0.09 0.00 0.52 0.00 0.00 34.95 35.76 3gyr s ARG 345 CO 0.73 -0.12 1.32 -1.25 0.02 0.00 0.00 175.30 176.01 3gyr s PRO 346 N -1.31 4.03 -0.26 3.54 0.04 -1.26 -4.88 135.00 134.90 3gyr s PRO 346 Ca -0.14 2.20 -0.04 0.00 0.04 0.00 0.00 61.00 63.07 3gyr s PRO 346 Cb -0.07 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.67 3gyr s PRO 346 CO 0.02 -0.46 -0.01 0.08 0.04 0.00 0.00 177.00 176.67 3gyr s VAL 347 N -1.23 3.29 0.24 -0.36 1.01 -0.14 -4.96 120.40 118.24 3gyr s VAL 347 Ca 0.55 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 3gyr s VAL 347 Cb -0.39 -2.68 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 3gyr s VAL 347 CO 0.51 0.16 1.36 -2.16 0.00 0.00 0.00 175.10 174.97 3gyr s PRO 348 N 1.39 4.34 -0.46 2.72 0.04 -1.26 -0.33 135.00 141.44 3gyr s PRO 348 Ca 0.01 2.18 0.03 0.00 0.04 0.00 0.00 61.00 63.26 3gyr s PRO 348 Cb -0.17 -3.14 0.12 0.00 0.04 0.00 0.00 34.50 31.35 3gyr s PRO 348 CO -0.02 -0.31 0.20 0.08 0.04 0.00 0.00 177.00 176.99 3gyr s VAL 349 N -0.11 2.56 -2.04 -0.36 1.01 -0.32 -4.90 120.40 116.25 3gyr s VAL 349 Ca 0.57 -2.94 0.17 0.00 0.00 0.00 0.00 61.98 59.77 3gyr s VAL 349 Cb -0.39 -2.80 0.15 0.00 0.00 0.00 0.00 36.38 33.33 3gyr s VAL 349 CO 0.42 -0.73 1.04 0.47 0.00 0.00 0.00 175.10 176.30 3gyr n ASP 350 N 3.55 2.44 -3.76 3.32 8.00 -1.26 -4.12 116.55 124.73 3gyr n ASP 350 Ca 0.05 -1.71 -0.26 0.00 0.71 0.00 0.00 54.79 53.58 3gyr n ASP 350 Cb 0.36 -0.02 0.05 0.00 -0.02 0.00 0.00 41.12 41.49 3gyr n ASP 350 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gyr n PHE 351 N 0.94 -2.46 0.00 1.24 3.01 -0.92 -4.17 117.46 115.09 3gyr n PHE 351 Ca 0.10 0.94 0.00 0.00 1.01 0.00 0.00 57.45 59.50 3gyr n PHE 351 Cb 0.42 -4.46 0.00 0.00 -0.01 0.00 0.00 39.48 35.43 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 -2.94 0.00 -0.08 4.37 3.85 -1.10 -4.76 116.55 115.89 3gyr n ASP 352 Ca -0.03 0.00 -0.10 0.00 -0.71 0.00 0.00 54.79 53.95 3gyr n ASP 352 Cb 0.56 0.00 -0.15 0.00 -1.35 0.00 0.00 41.12 40.18 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 0.28 0.32 -1.12 9.92 -1.26 -0.65 116.55 124.03 3gyr n ASP 353 Ca 0.00 0.09 0.21 0.00 -0.53 0.00 0.00 54.79 54.56 3gyr n ASP 353 Cb 0.00 0.70 1.03 0.00 -0.64 0.00 0.00 41.12 42.20 3gyr n ASP 353 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3gyr h THR 354 N 0.00 0.02 -0.31 -3.53 2.02 -2.00 -3.39 112.91 105.72 3gyr h THR 354 Ca -0.49 -0.19 0.08 0.00 0.77 0.00 0.00 66.41 66.58 3gyr h THR 354 Cb 2.18 1.18 -0.17 0.00 -1.74 0.00 0.00 68.15 69.61 3gyr h THR 354 CO 0.04 0.00 -0.16 -0.22 0.37 0.00 0.00 175.52 175.55 3gyr s LEU 355 N -6.21 -0.47 0.23 2.58 2.96 -1.24 -4.84 118.68 111.69 3gyr s LEU 355 Ca -0.03 -0.30 0.09 0.00 -0.22 0.00 0.00 54.13 53.67 3gyr s LEU 355 Cb 0.12 0.60 0.20 0.00 0.50 0.00 0.00 46.19 47.61 3gyr s LEU 355 CO 0.46 -0.04 1.52 1.55 -1.32 0.00 0.00 176.35 178.52 3gyr h PRO 356 N 5.33 0.02 -4.68 0.98 0.14 -1.10 -2.41 132.00 130.29 3gyr h PRO 356 Ca -0.02 -0.02 -0.28 0.00 0.14 0.00 0.00 66.00 65.82 3gyr h PRO 356 Cb 1.21 0.00 -0.20 0.00 0.14 0.00 0.00 31.00 32.16 3gyr h PRO 356 CO -0.06 0.73 -0.73 0.14 0.14 0.00 0.00 178.00 178.22 3gyr s VAL 357 N -3.38 0.64 -0.51 1.56 -7.23 -1.26 -4.50 120.40 105.72 3gyr s VAL 357 Ca -0.01 -1.26 -0.23 0.00 -1.81 0.00 0.00 61.98 58.67 3gyr s VAL 357 Cb 0.12 -0.85 0.04 0.00 0.56 0.00 0.00 36.38 36.25 3gyr s VAL 357 CO 0.78 -0.45 0.86 -0.22 -0.31 0.00 0.00 175.10 175.76 3gyr s LEU 358 N -1.85 4.25 -0.57 1.32 2.96 -0.52 -4.86 118.68 119.40 3gyr s LEU 358 Ca -0.05 -0.33 -0.22 0.00 -0.22 0.00 0.00 54.13 53.31 3gyr s LEU 358 Cb -0.07 -2.84 0.06 0.00 0.50 0.00 0.00 46.19 43.84 3gyr s LEU 358 CO -0.00 -1.09 0.82 -0.55 -1.32 0.00 0.00 176.35 174.21 3gyr s SER 359 N 2.60 6.25 -0.48 3.68 0.15 -1.26 -0.18 113.70 124.47 3gyr s SER 359 Ca 0.29 -0.79 -0.09 0.00 0.70 0.00 0.00 55.95 56.06 3gyr s SER 359 Cb -0.13 -2.37 0.12 0.00 -1.71 0.00 0.00 66.02 61.93 3gyr s SER 359 CO 0.20 -1.16 0.35 0.00 1.20 0.00 0.00 173.24 173.82 3gyr s ALA 360 N 3.44 3.40 0.61 5.45 0.00 0.63 -4.98 121.76 130.31 3gyr s ALA 360 Ca 0.22 -2.55 -0.12 0.00 0.00 0.00 0.00 51.96 49.50 3gyr s ALA 360 Cb -0.17 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 3gyr s ALA 360 CO 0.13 -1.91 1.03 0.00 0.00 0.00 0.00 175.76 175.01 3gyr s ALA 361 N 1.34 3.04 0.04 0.00 0.00 -1.26 -1.52 121.76 123.39 3gyr s ALA 361 Ca 0.06 -0.01 -0.38 0.00 0.00 0.00 0.00 51.96 51.63 3gyr s ALA 361 Cb -0.26 -3.10 -0.18 0.00 0.00 0.00 0.00 23.12 19.58 3gyr s ALA 361 CO -0.01 -0.67 1.24 -2.30 0.00 0.00 0.00 175.76 174.02 3gyr n PRO 362 N -2.56 0.66 -0.02 0.00 -0.02 -1.25 -2.35 135.00 129.45 3gyr n PRO 362 Ca 0.06 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3gyr n PRO 362 Cb 0.54 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3gyr n PRO 362 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gyr n ALA 363 N 2.16 0.00 -1.77 3.55 0.00 0.13 -4.94 120.51 119.65 3gyr n ALA 363 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 3gyr n ALA 363 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.13 4.04 0.04 0.00 2.02 -0.99 -4.86 118.70 118.82 3gyr s GLU 364 Ca 0.00 1.94 0.06 0.00 0.02 0.00 0.00 54.97 56.99 3gyr s GLU 364 Cb 0.00 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 3gyr s GLU 364 CO 0.00 -0.37 -0.12 1.03 0.02 0.00 0.00 175.26 175.82 3gyr s ARG 365 N -2.26 2.24 -0.14 1.61 0.52 -1.26 -3.13 118.95 116.53 3gyr s ARG 365 Ca 0.57 -0.91 -0.02 0.00 -0.52 0.00 0.00 55.73 54.85 3gyr s ARG 365 Cb -0.33 -2.32 0.04 0.00 0.52 0.00 0.00 34.95 32.86 3gyr s ARG 365 CO 0.42 0.55 0.00 -0.06 0.02 0.00 0.00 175.30 176.24 3gyr s PHE 366 N -1.02 1.04 -0.48 -0.53 0.08 0.12 -3.59 117.98 113.60 3gyr s PHE 366 Ca 0.17 -0.66 -0.21 0.00 0.12 0.00 0.00 56.93 56.35 3gyr s PHE 366 Cb -0.11 -1.01 0.04 0.00 -0.57 0.00 0.00 43.02 41.37 3gyr s PHE 366 CO 0.08 -0.51 0.69 0.34 -0.10 0.00 0.00 175.22 175.72 3gyr s ASP 367 N 1.85 6.30 -0.07 1.36 2.15 -0.89 -0.62 116.67 126.75 3gyr s ASP 367 Ca 0.02 -0.49 0.05 0.00 0.43 0.00 0.00 52.55 52.55 3gyr s ASP 367 Cb -0.15 -2.33 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 3gyr s ASP 367 CO -0.07 -0.89 -0.24 -0.76 -0.17 0.00 0.00 175.17 173.03 3gyr s LEU 368 N 2.97 2.07 -0.16 -1.34 1.43 0.18 0.09 118.68 123.91 3gyr s LEU 368 Ca 0.22 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 3gyr s LEU 368 Cb -0.15 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 3gyr s LEU 368 CO 0.17 0.21 0.17 -0.76 0.23 0.00 0.00 176.35 176.37 3gyr s LEU 369 N 0.03 4.28 -0.13 1.79 1.43 0.25 0.34 118.68 126.66 3gyr s LEU 369 Ca -0.09 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3gyr s LEU 369 Cb -0.15 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.94 3gyr s LEU 369 CO 0.06 0.25 -0.13 -0.69 0.23 0.00 0.00 176.35 176.06 3gyr s VAL 370 N -0.12 1.46 -0.79 -1.59 1.01 0.94 -0.85 120.40 120.46 3gyr s VAL 370 Ca 0.12 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 3gyr s VAL 370 Cb -0.12 -1.38 0.11 0.00 0.00 0.00 0.00 36.38 35.00 3gyr s VAL 370 CO 0.01 0.44 0.99 -0.62 0.00 0.00 0.00 175.10 175.93 3gyr s ASP 371 N 1.42 6.43 -0.05 3.32 2.15 0.50 -1.67 116.67 128.78 3gyr s ASP 371 Ca 0.03 -1.67 0.10 0.00 0.43 0.00 0.00 52.55 51.44 3gyr s ASP 371 Cb -0.13 -2.38 0.38 0.00 -0.30 0.00 0.00 42.92 40.48 3gyr s ASP 371 CO -0.08 -1.16 1.24 0.49 -0.17 0.00 0.00 175.17 175.48 3gyr n PHE 372 N 6.74 0.73 -0.31 -5.34 3.72 -0.16 -4.57 117.46 118.27 3gyr n PHE 372 Ca 0.10 -0.30 0.04 0.00 -0.05 0.00 0.00 57.45 57.24 3gyr n PHE 372 Cb 0.47 -0.12 0.24 0.00 -0.94 0.00 0.00 39.48 39.13 3gyr n PHE 372 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gyr h ARG 373 N 2.21 1.00 -0.28 -1.08 3.08 -1.69 -1.27 114.38 116.35 3gyr h ARG 373 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3gyr h ARG 373 Cb 0.80 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3gyr h ARG 373 CO 0.10 0.66 0.00 0.00 -1.07 0.00 0.00 179.97 179.66 3gyr n ALA 374 N -2.39 2.47 -0.92 0.04 0.00 -1.26 -4.46 120.51 113.99 3gyr n ALA 374 Ca 0.14 -0.56 0.09 0.00 0.00 0.00 0.00 53.44 53.11 3gyr n ALA 374 Cb 0.21 -1.01 0.13 0.00 0.00 0.00 0.00 19.45 18.78 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 0.41 2.45 -4.63 0.00 4.77 -0.48 -5.02 117.00 114.49 3gyr n LEU 375 Ca 0.12 -2.93 -0.41 0.00 -0.03 0.00 0.00 56.01 52.76 3gyr n LEU 375 Cb 0.29 -0.38 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3gyr n LEU 375 CO 0.09 0.68 0.64 0.61 -1.33 0.00 0.00 177.39 178.08 3gyr n GLY 376 N -1.22 -0.08 2.73 -0.72 0.00 -1.26 -1.22 105.19 103.44 3gyr n GLY 376 Ca 0.14 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3gyr n GLY 376 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyr n GLY 377 N 1.12 0.24 3.92 -0.02 0.00 0.17 -4.78 105.19 105.84 3gyr n GLY 377 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.07 2.85 -0.12 1.61 1.81 -0.35 -4.94 118.95 118.75 3gyr s ARG 378 Ca 0.00 -1.22 0.01 0.00 -1.72 0.00 0.00 55.73 52.80 3gyr s ARG 378 Cb 0.00 -2.62 0.02 0.00 -0.45 0.00 0.00 34.95 31.90 3gyr s ARG 378 CO 0.00 0.02 -0.13 1.03 -0.68 0.00 0.00 175.30 175.53 3gyr s ARG 379 N -4.11 2.08 0.02 3.54 0.52 -1.26 -1.51 118.95 118.23 3gyr s ARG 379 Ca 0.45 -0.49 0.09 0.00 -0.52 0.00 0.00 55.73 55.25 3gyr s ARG 379 Cb -0.07 -1.85 -0.03 0.00 0.52 0.00 0.00 34.95 33.52 3gyr s ARG 379 CO 0.29 -0.14 -0.25 -0.51 0.02 0.00 0.00 175.30 174.71 3gyr s LEU 380 N 1.21 2.13 0.00 2.53 1.43 -0.41 -3.61 118.68 121.96 3gyr s LEU 380 Ca -0.02 -0.54 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 3gyr s LEU 380 Cb -0.14 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 3gyr s LEU 380 CO -0.05 0.27 -0.24 -0.13 0.23 0.00 0.00 176.35 176.43 3gyr s ARG 381 N -1.01 2.05 -0.08 1.70 0.52 0.79 0.47 118.95 123.40 3gyr s ARG 381 Ca 0.11 -0.97 -0.25 0.00 -0.52 0.00 0.00 55.73 54.09 3gyr s ARG 381 Cb -0.10 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 3gyr s ARG 381 CO 0.01 0.55 0.79 -1.17 0.02 0.00 0.00 175.30 175.50 3gyr s LEU 382 N -0.90 4.29 0.13 2.53 2.96 -0.21 -0.48 118.68 127.01 3gyr s LEU 382 Ca 0.11 1.28 0.05 0.00 -0.22 0.00 0.00 54.13 55.35 3gyr s LEU 382 Cb -0.10 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 3gyr s LEU 382 CO 0.01 -0.21 -0.12 0.68 -1.32 0.00 0.00 176.35 175.38 3gyr s VAL 383 N 1.16 1.24 -0.22 1.68 -7.23 0.48 -1.34 120.40 116.18 3gyr s VAL 383 Ca 0.41 -1.86 -0.18 0.00 -1.81 0.00 0.00 61.98 58.54 3gyr s VAL 383 Cb -0.18 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 3gyr s VAL 383 CO 0.19 -0.57 0.52 -0.62 -0.31 0.00 0.00 175.10 174.31 3gyr s ASP 384 N -2.76 6.52 -0.18 4.85 2.15 0.35 -0.58 116.67 127.02 3gyr s ASP 384 Ca 0.12 0.63 -0.20 0.00 0.43 0.00 0.00 52.55 53.53 3gyr s ASP 384 Cb -0.02 -2.29 -0.03 0.00 -0.30 0.00 0.00 42.92 40.28 3gyr s ASP 384 CO 0.02 -0.22 0.60 -0.75 -0.17 0.00 0.00 175.17 174.65 3gyr s LYS 385 N 1.86 4.24 0.46 4.34 2.20 0.04 -4.63 119.74 128.26 3gyr s LYS 385 Ca 0.23 0.58 -0.19 0.00 -0.36 0.00 0.00 55.97 56.23 3gyr s LYS 385 Cb -0.15 -3.55 -0.10 0.00 -1.51 0.00 0.00 37.83 32.52 3gyr s LYS 385 CO 0.09 -0.16 0.97 0.20 -0.36 0.00 0.00 175.35 176.09 3gyr s GLY 386 N 1.11 2.29 0.52 5.54 0.00 -1.26 -4.64 107.32 110.87 3gyr s GLY 386 Ca 0.28 0.34 0.30 0.00 0.00 0.00 0.00 44.72 45.65 3gyr s GLY 386 CO 0.11 0.63 1.96 -0.56 0.00 0.00 0.00 173.10 175.23 3gyr h PRO 387 N 1.54 0.00 -0.58 2.90 0.13 -1.93 -3.17 132.00 130.89 3gyr h PRO 387 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3gyr h PRO 387 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3gyr h PRO 387 CO 0.61 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.88 3gyr n GLY 388 N -0.06 2.66 3.28 1.56 0.00 -1.26 -4.98 105.19 106.39 3gyr n GLY 388 Ca 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.12 -0.77 0.71 4.61 0.00 -1.20 -5.03 121.76 118.96 3gyr s ALA 389 Ca 0.40 -0.07 -0.15 0.00 0.00 0.00 0.00 51.96 52.14 3gyr s ALA 389 Cb 0.22 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.87 3gyr s ALA 389 CO 0.26 -0.53 1.16 -2.14 0.00 0.00 0.00 175.76 174.51 3gyr s PRO 390 N -3.29 2.36 0.15 0.00 0.02 -1.26 -4.42 135.00 128.55 3gyr s PRO 390 Ca 0.00 1.59 -0.34 0.00 0.02 0.00 0.00 61.00 62.27 3gyr s PRO 390 Cb 0.01 -1.88 -0.14 0.00 0.02 0.00 0.00 34.50 32.51 3gyr s PRO 390 CO -0.08 -1.63 1.52 0.00 -0.33 0.00 0.00 177.00 176.48 3gyr n ALA 391 N -2.67 0.85 0.00 -1.55 0.00 -1.26 -0.97 120.51 114.92 3gyr n ALA 391 Ca 0.12 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3gyr n ALA 391 Cb 0.51 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 3.17 3.25 3.65 0.00 0.00 -1.26 -4.88 105.19 109.12 3gyr n GLY 392 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.91 5.18 0.19 2.61 2.01 -0.14 -4.84 115.64 117.75 3gyr s THR 393 Ca 0.00 0.69 -0.32 0.00 0.31 0.00 0.00 61.69 62.36 3gyr s THR 393 Cb 0.00 -3.73 -0.15 0.00 0.01 0.00 0.00 72.50 68.63 3gyr s THR 393 CO 0.00 0.21 1.26 -2.65 -0.69 0.00 0.00 174.62 172.75 3gyr n PRO 394 N 4.78 1.47 -3.31 4.92 -0.02 -1.26 -4.64 135.00 136.94 3gyr n PRO 394 Ca -0.08 0.52 -0.26 0.00 -2.02 0.00 0.00 63.50 61.67 3gyr n PRO 394 Cb 0.51 -2.08 -0.07 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.10 2.09 0.11 2.55 2.03 0.11 -4.87 116.55 120.67 3gyr n ASP 395 Ca 0.14 -3.09 0.03 0.00 0.52 0.00 0.00 54.79 52.39 3gyr n ASP 395 Cb 0.27 -0.66 0.42 0.00 -0.72 0.00 0.00 41.12 40.43 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 4.08 0.28 -0.98 -0.67 0.13 -1.84 0.05 132.00 133.06 3gyr h PRO 396 Ca 0.14 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.27 3gyr h PRO 396 Cb 0.76 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 31.79 3gyr h PRO 396 CO 0.66 0.34 0.64 -0.07 -0.23 0.00 0.00 178.00 179.34 3gyr h LEU 397 N 0.27 1.03 -1.40 1.56 3.38 -1.93 -2.74 115.31 115.50 3gyr h LEU 397 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gyr h LEU 397 Cb 0.25 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3gyr h LEU 397 CO 0.01 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.83 3gyr n GLY 398 N -1.38 0.78 1.52 0.83 0.00 -0.59 -4.84 105.19 101.51 3gyr n GLY 398 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 1.10 0.55 2.53 -0.02 0.00 -0.93 -4.69 105.19 103.74 3gyr n GLY 399 Ca 0.13 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.82 0.15 -0.10 1.61 0.31 -0.10 -4.96 118.33 112.42 3gyr n VAL 400 Ca 0.00 -4.16 -0.08 0.00 -0.01 0.00 0.00 64.34 60.09 3gyr n VAL 400 Cb 0.04 -1.91 0.08 0.00 -0.91 0.00 0.00 33.84 31.14 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 5.18 0.80 -4.59 5.55 2.43 -1.86 0.33 114.38 122.22 3gyr h ARG 401 Ca 0.20 -0.32 -0.64 0.00 -0.81 0.00 0.00 59.98 58.40 3gyr h ARG 401 Cb 0.83 -0.04 -0.38 0.00 -0.42 0.00 0.00 29.97 29.96 3gyr h ARG 401 CO 0.54 0.95 -0.77 0.71 -1.51 0.00 0.00 179.97 179.89 3gyr s TYR 402 N -4.62 3.04 0.48 2.20 1.51 -1.26 -4.49 117.35 114.20 3gyr s TYR 402 Ca -0.10 -2.30 0.17 0.00 -1.01 0.00 0.00 57.07 53.84 3gyr s TYR 402 Cb 0.13 -2.07 1.17 0.00 -0.11 0.00 0.00 41.96 41.08 3gyr s TYR 402 CO 0.84 -0.87 2.06 -1.35 -1.11 0.00 0.00 175.55 175.12 3gyr h PRO 403 N 7.80 0.00 -6.90 -1.71 0.11 -1.82 -3.46 132.00 126.03 3gyr h PRO 403 Ca -0.15 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.43 3gyr h PRO 403 Cb 1.04 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.24 3gyr h PRO 403 CO 0.46 0.11 0.74 -1.83 -0.21 0.00 0.00 178.00 177.27 3gyr s GLU 404 N -4.74 4.20 0.01 1.05 1.03 -1.26 -0.49 118.70 118.50 3gyr s GLU 404 Ca -0.04 2.44 -0.04 0.00 0.03 0.00 0.00 54.97 57.36 3gyr s GLU 404 Cb 0.16 -3.01 -0.02 0.00 -0.80 0.00 0.00 34.13 30.46 3gyr s GLU 404 CO 0.67 -0.42 -0.08 0.28 -1.33 0.00 0.00 175.26 174.38 3gyr n VAL 405 N 0.81 1.06 -3.65 1.83 0.31 -0.45 -4.58 118.33 113.66 3gyr n VAL 405 Ca 0.01 0.24 -0.06 0.00 -0.01 0.00 0.00 64.34 64.53 3gyr n VAL 405 Cb 0.40 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.60 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 -2.18 1.07 -0.07 5.55 0.23 -1.12 -4.01 119.30 118.77 3gyr s MET 406 Ca -0.07 -0.53 0.04 0.00 -1.03 0.00 0.00 55.69 54.10 3gyr s MET 406 Cb 0.02 0.41 0.00 0.00 -1.53 0.00 0.00 34.83 33.72 3gyr s MET 406 CO 0.10 -0.48 -0.20 -2.00 -2.03 0.00 0.00 175.02 170.41 3gyr s GLU 407 N -3.25 2.43 -0.19 3.16 2.12 -0.94 -1.04 118.70 120.99 3gyr s GLU 407 Ca 0.09 -0.73 -0.12 0.00 0.36 0.00 0.00 54.97 54.57 3gyr s GLU 407 Cb -0.01 -1.93 -0.05 0.00 0.26 0.00 0.00 34.13 32.40 3gyr s GLU 407 CO -0.02 0.19 0.23 -0.06 -0.54 0.00 0.00 175.26 175.06 3gyr s PHE 408 N 0.28 3.41 -0.37 5.30 0.40 0.18 0.48 117.98 127.66 3gyr s PHE 408 Ca -0.13 0.46 -0.04 0.00 -0.60 0.00 0.00 56.93 56.62 3gyr s PHE 408 Cb -0.16 -2.29 0.08 0.00 0.51 0.00 0.00 43.02 41.16 3gyr s PHE 408 CO 0.06 0.20 0.15 1.03 0.70 0.00 0.00 175.22 177.36 3gyr s ARG 409 N 0.61 2.30 -0.29 0.44 0.52 0.52 -1.28 118.95 121.77 3gyr s ARG 409 Ca 0.13 -1.53 -0.23 0.00 -0.52 0.00 0.00 55.73 53.58 3gyr s ARG 409 Cb -0.13 -3.49 -0.00 0.00 0.52 0.00 0.00 34.95 31.85 3gyr s ARG 409 CO 0.02 -0.88 0.77 0.08 0.02 0.00 0.00 175.30 175.31 3gyr s VAL 410 N 1.25 4.83 0.03 3.52 1.01 -0.57 -1.52 120.40 128.96 3gyr s VAL 410 Ca 0.02 1.24 -0.23 0.00 0.00 0.00 0.00 61.98 63.01 3gyr s VAL 410 Cb -0.22 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3gyr s VAL 410 CO -0.01 -0.17 0.71 -0.60 0.00 0.00 0.00 175.10 175.02 3gyr s ARG 411 N 2.86 4.44 0.08 2.72 3.52 0.35 0.44 118.95 133.35 3gyr s ARG 411 Ca 0.32 0.96 -0.29 0.00 -0.13 0.00 0.00 55.73 56.59 3gyr s ARG 411 Cb -0.15 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 3gyr s ARG 411 CO 0.11 0.32 0.93 -2.00 -0.81 0.00 0.00 175.30 173.85 3gyr s GLU 412 N -0.14 4.63 0.10 5.12 2.12 -1.26 -1.78 118.70 127.50 3gyr s GLU 412 Ca 0.36 1.37 0.04 0.00 0.36 0.00 0.00 54.97 57.10 3gyr s GLU 412 Cb -0.20 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 3gyr s GLU 412 CO 0.21 0.17 -0.11 0.99 -0.54 0.00 0.00 175.26 175.98 3gyr s THR 413 N 0.20 1.07 -2.42 -1.70 2.01 -1.26 -4.98 115.64 108.55 3gyr s THR 413 Ca 0.46 -1.66 0.22 0.00 0.31 0.00 0.00 61.69 61.03 3gyr s THR 413 Cb -0.22 -1.41 0.43 0.00 0.01 0.00 0.00 72.50 71.31 3gyr s THR 413 CO 0.28 -0.51 1.48 0.00 -0.69 0.00 0.00 174.62 175.18 3gyr s GLU 415 N -1.70 3.08 -0.23 0.00 2.02 -1.26 -5.04 118.70 115.57 3gyr s GLU 415 Ca 0.35 1.78 -0.08 0.00 0.02 0.00 0.00 54.97 57.04 3gyr s GLU 415 Cb 0.20 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.44 3gyr s GLU 415 CO 0.29 -1.11 0.07 -1.21 0.02 0.00 0.00 175.26 173.33 3gyr s GLU 416 N -3.31 3.76 -0.44 1.61 0.41 -1.26 -5.05 118.70 114.43 3gyr s GLU 416 Ca 0.76 -0.43 -0.17 0.00 -0.41 0.00 0.00 54.97 54.72 3gyr s GLU 416 Cb -0.29 -3.31 0.03 0.00 -1.78 0.00 0.00 34.13 28.78 3gyr s GLU 416 CO 0.31 -0.06 0.42 0.34 -0.49 0.00 0.00 175.26 175.79 3gyr s ASP 417 N 1.27 6.17 0.00 -0.19 -1.08 -1.26 -4.92 116.67 116.66 3gyr s ASP 417 Ca 0.05 -0.84 0.13 0.00 -0.52 0.00 0.00 52.55 51.37 3gyr s ASP 417 Cb -0.15 -2.21 0.38 0.00 -1.46 0.00 0.00 42.92 39.49 3gyr s ASP 417 CO 0.04 -0.60 1.31 -1.54 0.52 0.00 0.00 175.17 174.90 3gyr n SER 418 N 5.52 2.10 -4.58 -0.34 3.41 -1.26 -4.96 113.62 113.51 3gyr n SER 418 Ca -0.09 -1.98 -0.46 0.00 -0.26 0.00 0.00 58.87 56.09 3gyr n SER 418 Cb 0.47 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 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 0.64 1.22 -5.23 7.33 7.35 -1.26 -4.99 117.46 122.51 3gyr n PHE 419 Ca 0.14 0.70 -0.30 0.00 -0.76 0.00 0.00 57.45 57.23 3gyr n PHE 419 Cb 0.34 -2.25 -0.16 0.00 0.35 0.00 0.00 39.48 37.76 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 -0.73 2.05 -0.31 3.13 0.00 -1.26 -5.12 121.76 119.52 3gyr s ALA 420 Ca 0.64 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 3gyr s ALA 420 Cb -0.76 -0.53 0.06 0.00 0.00 0.00 0.00 23.12 21.89 3gyr s ALA 420 CO 0.57 0.50 0.01 -1.17 0.00 0.00 0.00 175.76 175.66 3gyr s LEU 421 N -0.56 4.01 0.36 0.00 2.96 -1.26 -5.07 118.68 119.12 3gyr s LEU 421 Ca 0.09 -1.40 -0.26 0.00 -0.22 0.00 0.00 54.13 52.34 3gyr s LEU 421 Cb -0.10 -1.70 -0.09 0.00 0.50 0.00 0.00 46.19 44.80 3gyr s LEU 421 CO -0.01 -0.28 1.05 -2.16 -1.32 0.00 0.00 176.35 173.63 3gyr s PRO 422 N 1.20 4.34 0.43 0.98 0.04 -1.26 -4.94 135.00 135.80 3gyr s PRO 422 Ca -0.04 1.57 0.15 0.00 0.04 0.00 0.00 61.00 62.72 3gyr s PRO 422 Cb -0.20 -2.75 1.04 0.00 0.04 0.00 0.00 34.50 32.63 3gyr s PRO 422 CO -0.02 0.01 1.95 0.93 0.04 0.00 0.00 177.00 179.91 3gyr h GLU 423 N 2.95 0.40 -6.32 4.56 4.39 -1.98 -3.38 114.58 115.20 3gyr h GLU 423 Ca -0.48 -0.02 -0.67 0.00 0.34 0.00 0.00 59.36 58.53 3gyr h GLU 423 Cb 1.21 -0.09 -0.17 0.00 -0.10 0.00 0.00 28.75 29.60 3gyr h GLU 423 CO 0.64 0.26 -0.71 0.08 -1.16 0.00 0.00 179.01 178.12 3gyr s VAL 424 N -5.40 3.59 -0.00 3.13 1.01 -1.26 -4.24 120.40 117.23 3gyr s VAL 424 Ca -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3gyr s VAL 424 Cb 0.20 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 3gyr s VAL 424 CO 0.76 0.38 -0.00 -0.11 0.00 0.00 0.00 175.10 176.13 3gyr n LEU 425 N 1.52 2.75 -4.03 3.92 7.94 -0.33 -4.96 117.00 123.81 3gyr n LEU 425 Ca -0.15 -0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.47 3gyr n LEU 425 Cb 0.52 -0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.31 3gyr n LEU 425 CO 0.31 0.46 -0.48 -0.55 -1.11 0.00 0.00 177.39 176.01 3gyr s SER 426 N -3.92 2.27 0.22 1.96 0.15 -1.17 -4.99 113.70 108.21 3gyr s SER 426 Ca -0.00 -0.39 0.17 0.00 0.70 0.00 0.00 55.95 56.44 3gyr s SER 426 Cb 0.00 -1.01 0.02 0.00 -1.71 0.00 0.00 66.02 63.32 3gyr s SER 426 CO 0.00 0.00 1.21 1.23 1.20 0.00 0.00 173.24 176.88 3gyr h GLY 427 N 7.41 0.00 2.00 9.45 0.00 -1.94 -3.34 103.07 116.65 3gyr h GLY 427 Ca -0.31 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 3gyr h GLY 427 CO 0.48 0.00 -0.63 1.48 0.00 0.00 0.00 176.54 177.86 3gyr h SER 428 N 0.00 0.00 -2.43 0.19 4.64 -2.00 -3.45 113.55 110.50 3gyr h SER 428 Ca -0.05 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.72 3gyr h SER 428 Cb 1.36 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.49 3gyr h SER 428 CO 0.04 0.63 1.06 0.33 -0.87 0.00 0.00 176.83 178.03 3gyr n PHE 429 N -3.63 2.56 -4.12 4.77 7.35 -1.25 -4.98 117.46 118.15 3gyr n PHE 429 Ca -0.01 -0.06 -0.34 0.00 -0.76 0.00 0.00 57.45 56.28 3gyr n PHE 429 Cb 0.66 -2.70 -0.15 0.00 0.35 0.00 0.00 39.48 37.64 3gyr n PHE 429 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3gyr s ARG 430 N 2.50 3.12 0.10 -4.13 1.81 -1.26 -5.05 118.95 116.03 3gyr s ARG 430 Ca 0.82 -0.77 -0.36 0.00 -1.72 0.00 0.00 55.73 53.71 3gyr s ARG 430 Cb -0.53 -2.69 -0.17 0.00 -0.45 0.00 0.00 34.95 31.11 3gyr s ARG 430 CO 0.38 -0.18 1.16 -2.13 -0.68 0.00 0.00 175.30 173.86 3gyr n ARG 431 N 4.59 0.81 -2.37 3.54 3.00 -1.26 -4.93 116.66 120.04 3gyr n ARG 431 Ca -0.20 0.29 -0.42 0.00 -0.00 0.00 0.00 57.85 57.52 3gyr n ARG 431 Cb 0.50 -1.81 -0.03 0.00 0.00 0.00 0.00 32.46 31.13 3gyr n ARG 431 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3gyr s MET 432 N -0.02 4.35 -0.25 -0.14 -1.94 -1.26 -5.03 119.30 115.01 3gyr s MET 432 Ca 0.81 1.79 -0.10 0.00 -1.71 0.00 0.00 55.69 56.48 3gyr s MET 432 Cb -0.99 -3.51 -0.04 0.00 2.01 0.00 0.00 34.83 32.29 3gyr s MET 432 CO 0.52 -0.45 0.14 0.45 -0.01 0.00 0.00 175.02 175.67 3gyr s SER 433 N 1.50 5.79 0.23 3.03 0.15 -1.26 -4.95 113.70 118.20 3gyr s SER 433 Ca 0.59 -0.01 0.09 0.00 0.70 0.00 0.00 55.95 57.32 3gyr s SER 433 Cb -0.28 -2.05 0.48 0.00 -1.71 0.00 0.00 66.02 62.46 3gyr s SER 433 CO 0.25 0.02 1.13 1.57 1.20 0.00 0.00 173.24 177.40 3gyr n HIS 434 N 4.60 0.30 0.49 3.44 -0.00 -1.26 -0.63 115.22 122.16 3gyr n HIS 434 Ca -0.15 0.16 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 3gyr n HIS 434 Cb 0.52 -0.53 0.44 0.00 -0.00 0.00 0.00 29.99 30.42 3gyr n HIS 434 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 3gyr h ASP 435 N 0.00 0.00 -3.12 0.26 3.32 -2.02 -3.45 116.42 111.41 3gyr h ASP 435 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3gyr h ASP 435 Cb 0.60 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.18 3gyr h ASP 435 CO 0.00 0.00 0.70 -0.63 -1.72 0.00 0.00 179.24 177.59 3gyr s ILE 436 N -3.23 3.31 0.50 0.35 1.01 0.20 -4.97 121.20 118.37 3gyr s ILE 436 Ca 0.07 0.98 -0.23 0.00 0.00 0.00 0.00 60.65 61.47 3gyr s ILE 436 Cb 0.10 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 3gyr s ILE 436 CO 0.52 0.10 1.30 -2.65 0.00 0.00 0.00 174.94 174.20 3gyr n PRO 437 N 3.56 1.74 -3.51 2.79 -0.02 -1.26 -4.99 135.00 133.31 3gyr n PRO 437 Ca 0.10 0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 62.09 3gyr n PRO 437 Cb 0.43 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.27 -0.48 0.78 6.00 -3.43 -1.26 -4.50 115.29 111.13 3gyr s HIS 438 Ca 0.68 0.58 -0.12 0.00 -0.80 0.00 0.00 55.06 55.40 3gyr s HIS 438 Cb -0.45 0.49 0.06 0.00 -1.43 0.00 0.00 32.58 31.25 3gyr s HIS 438 CO 0.53 -0.58 1.14 0.20 -2.00 0.00 0.00 174.74 174.03 3gyr s GLY 439 N -1.88 1.60 0.01 -1.38 0.00 -0.67 -4.87 107.32 100.13 3gyr s GLY 439 Ca -0.02 -0.51 0.06 0.00 0.00 0.00 0.00 44.72 44.26 3gyr s GLY 439 CO -0.02 -0.06 -0.19 0.30 0.00 0.00 0.00 173.10 173.12 3gyr s HIS 440 N -3.46 1.67 0.02 1.90 3.76 -1.26 -0.52 115.29 117.41 3gyr s HIS 440 Ca 0.61 -0.34 0.06 0.00 -0.15 0.00 0.00 55.06 55.24 3gyr s HIS 440 Cb -0.11 -1.04 -0.02 0.00 1.11 0.00 0.00 32.58 32.51 3gyr s HIS 440 CO 0.50 0.02 -0.19 1.03 -0.85 0.00 0.00 174.74 175.26 3gyr s ARG 441 N -0.74 1.34 -0.20 1.40 1.81 -0.56 -4.97 118.95 117.03 3gyr s ARG 441 Ca 0.07 -0.81 -0.01 0.00 -1.72 0.00 0.00 55.73 53.26 3gyr s ARG 441 Cb -0.08 -1.38 0.01 0.00 -0.45 0.00 0.00 34.95 33.06 3gyr s ARG 441 CO 0.00 0.36 -0.14 -1.17 -0.68 0.00 0.00 175.30 173.68 3gyr s LEU 442 N -0.91 2.51 -0.25 2.53 2.96 -1.26 -1.28 118.68 122.97 3gyr s LEU 442 Ca 0.06 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 3gyr s LEU 442 Cb -0.08 -1.57 0.03 0.00 0.50 0.00 0.00 46.19 45.07 3gyr s LEU 442 CO 0.01 -0.03 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.31 3gyr s ILE 443 N 1.34 2.70 -0.09 6.68 -1.09 0.34 -2.14 121.20 128.93 3gyr s ILE 443 Ca 0.04 -1.17 -0.12 0.00 -2.23 0.00 0.00 60.65 57.17 3gyr s ILE 443 Cb -0.14 -2.41 -0.05 0.00 -1.58 0.00 0.00 42.46 38.28 3gyr s ILE 443 CO -0.09 0.15 0.29 -0.69 -1.23 0.00 0.00 174.94 173.36 3gyr s VAL 444 N 1.27 5.27 -0.29 2.92 1.01 -0.24 -0.48 120.40 129.85 3gyr s VAL 444 Ca -0.02 0.55 -0.08 0.00 0.00 0.00 0.00 61.98 62.43 3gyr s VAL 444 Cb -0.17 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3gyr s VAL 444 CO -0.05 0.53 0.10 -0.76 0.00 0.00 0.00 175.10 174.93 3gyr s LEU 445 N -0.56 3.84 0.16 3.92 1.02 -0.33 -0.67 118.68 126.06 3gyr s LEU 445 Ca 0.19 -0.51 -0.04 0.00 0.02 0.00 0.00 54.13 53.79 3gyr s LEU 445 Cb -0.14 -1.94 -0.05 0.00 0.02 0.00 0.00 46.19 44.08 3gyr s LEU 445 CO 0.07 -0.15 0.38 0.42 0.02 0.00 0.00 176.35 177.09 3gyr s THR 446 N 1.57 5.18 0.71 5.49 -4.23 -0.90 -0.48 115.64 122.99 3gyr s THR 446 Ca 0.04 -0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 60.34 3gyr s THR 446 Cb -0.17 -3.65 0.03 0.00 1.34 0.00 0.00 72.50 70.05 3gyr s THR 446 CO 0.04 -0.01 1.15 -2.16 -0.54 0.00 0.00 174.62 173.10 3gyr s PRO 447 N -2.81 2.39 0.36 3.99 0.04 -1.26 -3.61 135.00 134.10 3gyr s PRO 447 Ca 0.40 1.52 0.06 0.00 0.04 0.00 0.00 61.00 63.03 3gyr s PRO 447 Cb -0.12 -1.89 0.76 0.00 0.04 0.00 0.00 34.50 33.29 3gyr s PRO 447 CO 0.26 -1.59 1.95 -1.35 0.04 0.00 0.00 177.00 176.31 3gyr h PRO 448 N -0.31 0.72 -1.10 0.56 0.11 -1.84 -3.06 132.00 127.07 3gyr h PRO 448 Ca -0.47 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 3gyr h PRO 448 Cb 1.26 -0.16 -0.09 0.00 0.11 0.00 0.00 31.00 32.13 3gyr h PRO 448 CO 0.51 0.47 0.20 0.41 -0.21 0.00 0.00 178.00 179.39 3gyr n GLY 449 N -1.45 2.83 3.77 -0.55 0.00 -1.26 -2.55 105.19 105.97 3gyr n GLY 449 Ca 0.11 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.01 4.08 -0.39 2.61 2.01 -1.16 -4.66 115.64 117.12 3gyr s THR 450 Ca 0.17 1.91 -0.35 0.00 0.31 0.00 0.00 61.69 63.72 3gyr s THR 450 Cb 0.14 -4.14 -0.15 0.00 0.01 0.00 0.00 72.50 68.35 3gyr s THR 450 CO 0.03 0.32 1.49 1.17 -0.69 0.00 0.00 174.62 176.94 3gyr n LYS 451 N 1.00 0.00 -1.55 4.92 3.00 -0.22 -1.81 118.16 123.50 3gyr n LYS 451 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3gyr n LYS 451 Cb 0.48 -1.17 0.00 0.00 0.00 0.00 0.00 35.03 34.34 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 4.70 0.38 0.57 3.14 0.00 -1.26 -4.84 105.19 107.88 3gyr n GLY 452 Ca 0.35 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 1.99 2.55 -1.37 1.61 3.41 -0.75 -4.94 113.62 116.13 3gyr n SER 453 Ca 0.00 -1.79 -0.16 0.00 -0.26 0.00 0.00 58.87 56.66 3gyr n SER 453 Cb 0.28 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.57 1.48 0.67 5.00 0.00 -1.26 -1.56 105.19 110.09 3gyr n GLY 454 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.22 0.83 3.68 -0.02 0.00 -1.24 -4.83 105.19 103.38 3gyr n GLY 455 Ca -0.16 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 3gyr n GLY 455 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gyr s HIS 456 N -2.00 3.11 0.90 1.61 3.76 -0.60 -4.52 115.29 117.54 3gyr s HIS 456 Ca 0.00 0.13 -0.10 0.00 -0.15 0.00 0.00 55.06 54.94 3gyr s HIS 456 Cb 0.00 -1.73 0.14 0.00 1.11 0.00 0.00 32.58 32.09 3gyr s HIS 456 CO 0.00 0.45 1.15 -1.25 -0.85 0.00 0.00 174.74 174.25 3gyr s PRO 457 N -1.17 1.12 0.14 8.40 0.04 -1.26 -4.54 135.00 137.73 3gyr s PRO 457 Ca 0.16 1.57 -0.09 0.00 0.04 0.00 0.00 61.00 62.68 3gyr s PRO 457 Cb -0.11 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 3gyr s PRO 457 CO 0.06 -2.56 0.24 -1.21 0.04 0.00 0.00 177.00 173.57 3gyr s GLU 458 N -4.59 1.04 -0.14 4.56 2.02 -1.24 -4.80 118.70 115.56 3gyr s GLU 458 Ca 0.67 -1.11 -0.15 0.00 0.02 0.00 0.00 54.97 54.41 3gyr s GLU 458 Cb -0.23 0.36 -0.05 0.00 0.10 0.00 0.00 34.13 34.31 3gyr s GLU 458 CO 0.57 -0.36 0.34 0.42 0.02 0.00 0.00 175.26 176.24 3gyr s ILE 459 N -3.93 5.26 -0.27 -1.63 1.01 -1.26 -2.12 121.20 118.27 3gyr s ILE 459 Ca 0.13 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.43 3gyr s ILE 459 Cb 0.04 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.89 3gyr s ILE 459 CO -0.04 0.40 -0.07 0.26 0.00 0.00 0.00 174.94 175.50 3gyr s TRP 460 N 0.32 3.20 0.10 3.97 0.52 0.15 -4.02 118.94 123.18 3gyr s TRP 460 Ca 0.19 -1.97 -0.30 0.00 0.02 0.00 0.00 56.10 54.03 3gyr s TRP 460 Cb -0.14 -2.02 -0.06 0.00 -1.15 0.00 0.00 33.47 30.10 3gyr s TRP 460 CO 0.06 -0.82 1.17 -1.21 0.02 0.00 0.00 176.95 176.17 3gyr s GLU 461 N 1.21 4.48 -0.07 4.98 2.02 -0.54 -1.08 118.70 129.70 3gyr s GLU 461 Ca -0.05 1.75 0.04 0.00 0.02 0.00 0.00 54.97 56.73 3gyr s GLU 461 Cb -0.19 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 3gyr s GLU 461 CO -0.04 -0.16 -0.19 -1.64 0.02 0.00 0.00 175.26 173.25 3gyr s MET 462 N 0.60 2.71 -0.02 1.61 -1.94 -0.91 0.79 119.30 122.16 3gyr s MET 462 Ca 0.56 -0.80 0.01 0.00 -1.71 0.00 0.00 55.69 53.74 3gyr s MET 462 Cb -0.29 -2.32 -0.04 0.00 2.01 0.00 0.00 34.83 34.19 3gyr s MET 462 CO 0.31 0.41 0.01 0.00 -0.01 0.00 0.00 175.02 175.74 3gyr s ALA 463 N -0.22 3.30 0.43 3.03 0.00 0.83 -4.44 121.76 124.69 3gyr s ALA 463 Ca -0.01 -0.92 -0.22 0.00 0.00 0.00 0.00 51.96 50.81 3gyr s ALA 463 Cb -0.13 -1.38 -0.10 0.00 0.00 0.00 0.00 23.12 21.51 3gyr s ALA 463 CO 0.03 0.64 0.98 -2.00 0.00 0.00 0.00 175.76 175.41 3gyr s GLU 464 N -1.46 4.17 0.16 0.00 2.12 -1.26 0.01 118.70 122.44 3gyr s GLU 464 Ca 0.19 1.24 0.10 0.00 0.36 0.00 0.00 54.97 56.85 3gyr s GLU 464 Cb -0.11 -2.27 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 3gyr s GLU 464 CO 0.09 -0.09 -0.17 0.54 -0.54 0.00 0.00 175.26 175.09 3gyr s VAL 465 N -2.02 2.81 0.00 3.70 0.11 -0.95 -4.88 120.40 119.18 3gyr s VAL 465 Ca 0.61 -1.69 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 3gyr s VAL 465 Cb -0.13 -2.34 0.00 0.00 -1.53 0.00 0.00 36.38 32.38 3gyr s VAL 465 CO 0.17 -0.02 0.00 -0.62 -3.33 0.00 0.00 175.10 171.30 3gyr n GLU 466 N 0.44 0.00 -3.96 1.54 1.02 -1.26 -4.80 120.64 113.62 3gyr n GLU 466 Ca -0.13 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.70 3gyr n GLU 466 Cb 0.54 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.81 3gyr n GLU 466 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3gyr s GLN 472 N 0.00 1.70 0.72 3.49 -1.52 -1.26 -5.16 119.66 117.63 3gyr s GLN 472 Ca 0.00 -1.13 -0.15 0.00 -1.95 0.00 0.00 55.36 52.13 3gyr s GLN 472 Cb 0.00 -2.67 0.03 0.00 -0.22 0.00 0.00 33.01 30.15 3gyr s GLN 472 CO 0.00 -0.63 1.20 0.14 -0.25 0.00 0.00 175.29 175.74 3gyr s VAL 473 N 1.31 2.41 0.92 1.09 -7.23 -1.26 -4.39 120.40 113.25 3gyr s VAL 473 Ca -0.05 0.20 -0.12 0.00 -1.81 0.00 0.00 61.98 60.21 3gyr s VAL 473 Cb -0.19 -2.77 0.14 0.00 0.56 0.00 0.00 36.38 34.12 3gyr s VAL 473 CO -0.07 -0.11 1.09 -2.84 -0.31 0.00 0.00 175.10 172.87 3gyr s PRO 474 N -3.91 1.05 0.00 4.82 0.02 -1.26 -5.16 135.00 130.56 3gyr s PRO 474 Ca 0.74 0.70 0.00 0.00 0.02 0.00 0.00 61.00 62.46 3gyr s PRO 474 Cb -0.28 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3gyr s PRO 474 CO 0.44 -2.35 0.00 0.00 -0.33 0.00 0.00 177.00 174.76 3gyr n ALA 475 N -3.94 0.00 -1.76 -1.55 0.00 -1.26 -5.09 120.51 106.91 3gyr n ALA 475 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 3gyr n ALA 475 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 3gyr n ALA 475 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3gyr s GLU 476 N -1.53 4.15 0.00 0.00 2.12 -1.22 -2.60 118.70 119.62 3gyr s GLU 476 Ca 0.00 2.54 0.00 0.00 0.36 0.00 0.00 54.97 57.87 3gyr s GLU 476 Cb 0.00 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.92 3gyr s GLU 476 CO 0.00 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.34 3gyr n GLY 477 N 4.12 0.68 3.22 -1.50 0.00 0.41 -4.92 105.19 107.20 3gyr n GLY 477 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3gyr n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyr s VAL 478 N -2.60 2.67 -0.07 1.61 1.01 -1.07 -0.19 120.40 121.76 3gyr s VAL 478 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.27 3gyr s VAL 478 Cb 0.00 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3gyr s VAL 478 CO 0.00 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 174.82 3gyr s ILE 479 N 1.26 1.31 -0.08 2.22 1.01 0.57 -1.64 121.20 125.85 3gyr s ILE 479 Ca 0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 3gyr s ILE 479 Cb -0.14 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 3gyr s ILE 479 CO -0.07 0.39 0.02 -1.10 0.00 0.00 0.00 174.94 174.19 3gyr s GLN 480 N 0.53 3.02 -0.08 2.79 -0.21 -1.26 -0.85 119.66 123.60 3gyr s GLN 480 Ca -0.14 -0.40 0.01 0.00 0.02 0.00 0.00 55.36 54.85 3gyr s GLN 480 Cb -0.16 -2.83 0.02 0.00 1.00 0.00 0.00 33.01 31.04 3gyr s GLN 480 CO 0.04 0.70 -0.08 0.08 -2.12 0.00 0.00 175.29 173.92 3gyr s VAL 481 N -0.94 0.93 -0.37 1.09 1.01 0.03 -0.39 120.40 121.76 3gyr s VAL 481 Ca 0.15 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 3gyr s VAL 481 Cb -0.11 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.34 3gyr s VAL 481 CO 0.04 0.33 0.37 -0.89 0.00 0.00 0.00 175.10 174.95 3gyr s THR 482 N 1.25 5.16 0.70 3.92 2.01 0.56 -0.06 115.64 129.18 3gyr s THR 482 Ca -0.04 -0.15 -0.06 0.00 0.31 0.00 0.00 61.69 61.75 3gyr s THR 482 Cb -0.14 -3.89 0.07 0.00 0.01 0.00 0.00 72.50 68.54 3gyr s THR 482 CO -0.03 -0.21 1.00 -0.83 -0.69 0.00 0.00 174.62 173.86 3gyr s GLY 483 N 1.75 1.71 0.35 4.40 0.00 -0.62 -0.90 107.32 114.01 3gyr s GLY 483 Ca 0.11 -1.02 0.14 0.00 0.00 0.00 0.00 44.72 43.96 3gyr s GLY 483 CO 0.12 -0.61 1.58 0.00 0.00 0.00 0.00 173.10 174.20 3gyr h ALA 484 N -0.55 1.84 0.00 3.20 0.00 -1.90 0.68 119.26 122.53 3gyr h ALA 484 Ca -0.44 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3gyr h ALA 484 Cb 1.31 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3gyr h ALA 484 CO 0.58 -0.81 0.00 -0.40 0.00 0.00 0.00 179.25 178.62 3gyr n ASP 485 N -5.31 0.00 0.00 0.00 5.68 -1.26 -4.88 116.55 110.77 3gyr n ASP 485 Ca 0.33 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 3gyr n ASP 485 Cb 1.10 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.99 3gyr n ASP 485 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gyr n GLY 486 N 0.48 3.20 3.78 6.12 0.00 0.24 -5.03 105.19 113.97 3gyr n GLY 486 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3gyr n GLY 486 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gyr s ARG 487 N -0.47 3.33 -0.21 1.61 3.52 -1.26 -4.71 118.95 120.76 3gyr s ARG 487 Ca 0.00 1.54 -0.02 0.00 -0.13 0.00 0.00 55.73 57.11 3gyr s ARG 487 Cb 0.00 -2.01 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 3gyr s ARG 487 CO 0.00 -0.85 -0.09 0.99 -0.81 0.00 0.00 175.30 174.53 3gyr s THR 488 N -1.90 2.93 0.25 4.11 2.01 -1.26 -1.59 115.64 120.20 3gyr s THR 488 Ca 0.71 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 62.13 3gyr s THR 488 Cb -0.22 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 3gyr s THR 488 CO 0.28 0.46 0.23 -0.54 -0.69 0.00 0.00 174.62 174.37 3gyr s LYS 489 N 1.42 3.02 -0.07 4.92 1.02 0.92 -4.92 119.74 126.04 3gyr s LYS 489 Ca 0.05 -1.00 0.04 0.00 0.02 0.00 0.00 55.97 55.08 3gyr s LYS 489 Cb -0.14 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 3gyr s LYS 489 CO -0.07 0.39 -0.20 0.99 -0.92 0.00 0.00 175.35 175.55 3gyr s THR 490 N -2.11 1.70 0.01 2.17 2.01 -1.26 -0.79 115.64 117.36 3gyr s THR 490 Ca 0.33 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.55 3gyr s THR 490 Cb -0.08 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 3gyr s THR 490 CO 0.26 0.48 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.21 3gyr s TYR 491 N 0.31 1.31 -0.09 4.92 1.51 -0.03 -2.23 117.35 123.04 3gyr s TYR 491 Ca -0.13 -0.29 -0.00 0.00 -1.01 0.00 0.00 57.07 55.64 3gyr s TYR 491 Cb -0.16 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 3gyr s TYR 491 CO 0.06 0.01 -0.07 0.50 -1.11 0.00 0.00 175.55 174.93 3gyr s ARG 492 N -0.67 2.98 0.21 -0.62 3.52 0.10 -0.32 118.95 124.15 3gyr s ARG 492 Ca 0.04 -0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 54.78 3gyr s ARG 492 Cb -0.07 -2.65 -0.09 0.00 -1.56 0.00 0.00 34.95 30.59 3gyr s ARG 492 CO 0.00 0.53 1.27 0.50 -0.81 0.00 0.00 175.30 176.79 3gyr s ARG 493 N -0.46 4.43 -0.00 5.12 3.52 0.73 -0.12 118.95 132.17 3gyr s ARG 493 Ca 0.07 2.00 0.01 0.00 -0.13 0.00 0.00 55.73 57.68 3gyr s ARG 493 Cb -0.12 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 3gyr s ARG 493 CO 0.02 -0.18 0.06 0.25 -0.81 0.00 0.00 175.30 174.64 3gyr n THR 494 N 2.41 0.00 -3.58 4.11 -2.24 0.24 -4.86 114.28 110.36 3gyr n THR 494 Ca 0.05 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.26 3gyr n THR 494 Cb 0.43 0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.27 -1.71 0.00 6.98 0.00 -1.21 -4.88 121.76 119.66 3gyr s ALA 495 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.52 3gyr s ALA 495 Cb 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3gyr s ALA 495 CO 0.06 -0.35 0.00 -2.13 0.00 0.00 0.00 175.76 173.34 3gyr n ARG 496 N 1.69 2.20 -3.77 0.00 0.63 -1.26 -1.47 116.66 114.69 3gyr n ARG 496 Ca -0.17 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.68 3gyr n ARG 496 Cb 0.56 -0.87 -0.02 0.00 0.45 0.00 0.00 32.46 32.58 3gyr n ARG 496 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3gyr s THR 497 N -1.60 0.00 0.22 5.15 -1.32 -1.26 -4.08 115.64 112.77 3gyr s THR 497 Ca 0.00 -0.81 -0.15 0.00 -1.21 0.00 0.00 61.69 59.53 3gyr s THR 497 Cb 0.00 -1.77 0.26 0.00 -1.51 0.00 0.00 72.50 69.49 3gyr s THR 497 CO 0.00 -0.02 1.59 0.15 -2.21 0.00 0.00 174.62 174.13 3gyr h PHE 498 N 2.04 -0.64 -0.40 9.09 3.04 -1.00 -2.73 116.94 126.35 3gyr h PHE 498 Ca -0.24 0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.79 3gyr h PHE 498 Cb 1.26 0.40 0.00 0.00 2.56 0.00 0.00 35.95 40.17 3gyr h PHE 498 CO 0.38 -0.36 0.00 0.09 -2.02 0.00 0.00 178.31 176.40 3gyr n ASN 499 N -5.49 2.24 -4.79 0.41 5.03 -1.26 -4.56 115.26 106.85 3gyr n ASN 499 Ca 0.09 -2.03 -0.34 0.00 0.87 0.00 0.00 54.58 53.17 3gyr n ASN 499 Cb 0.39 -0.29 -0.01 0.00 -1.02 0.00 0.00 39.78 38.85 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 -0.97 5.95 0.29 6.41 1.01 -1.03 -4.95 116.67 123.39 3gyr s ASP 500 Ca 0.27 2.00 -0.17 0.00 0.71 0.00 0.00 52.55 55.36 3gyr s ASP 500 Cb 0.15 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.39 3gyr s ASP 500 CO 0.18 -1.05 0.09 0.61 0.21 0.00 0.00 175.17 175.21 3gyr n GLY 501 N -0.25 -2.03 3.62 0.21 0.00 -1.26 -4.82 105.19 100.66 3gyr n GLY 501 Ca 0.10 0.01 -0.49 0.00 0.00 0.00 0.00 46.02 45.64 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 1.76 2.14 -0.10 0.99 7.94 -1.26 -4.94 117.00 123.53 3gyr n LEU 502 Ca 0.09 1.12 -0.15 0.00 -1.11 0.00 0.00 56.01 55.96 3gyr n LEU 502 Cb 0.29 -1.28 -0.05 0.00 0.53 0.00 0.00 43.42 42.91 3gyr n LEU 502 CO 0.42 -0.88 -0.82 0.61 -1.11 0.00 0.00 177.39 175.61 3gyr n GLY 503 N 2.48 -0.62 3.53 -3.96 0.00 -1.26 -4.99 105.19 100.36 3gyr n GLY 503 Ca 0.16 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.63 3.23 -0.10 1.61 0.08 -1.26 -5.05 117.98 113.86 3gyr s PHE 504 Ca -0.29 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.56 3gyr s PHE 504 Cb 0.07 -2.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.00 3gyr s PHE 504 CO 0.42 -0.38 -0.17 0.99 -0.10 0.00 0.00 175.22 175.98 3gyr s THR 505 N 1.75 2.71 -0.04 0.64 2.01 -1.26 -0.73 115.64 120.72 3gyr s THR 505 Ca 0.07 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 3gyr s THR 505 Cb -0.17 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.28 3gyr s THR 505 CO 0.11 0.55 0.04 -0.63 -0.69 0.00 0.00 174.62 174.00 3gyr s ILE 506 N 0.05 0.00 0.15 1.82 1.01 0.97 -4.96 121.20 120.24 3gyr s ILE 506 Ca -0.07 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 3gyr s ILE 506 Cb -0.15 -0.21 -0.08 0.00 0.01 0.00 0.00 42.46 42.03 3gyr s ILE 506 CO 0.05 0.18 1.25 -0.83 0.00 0.00 0.00 174.94 175.59 3gyr s GLY 507 N 1.85 2.46 0.48 6.18 0.00 -1.26 -1.44 107.32 115.59 3gyr s GLY 507 Ca 0.01 0.99 -0.21 0.00 0.00 0.00 0.00 44.72 45.51 3gyr s GLY 507 CO -0.03 2.02 1.10 -1.83 0.00 0.00 0.00 173.10 174.35 3gyr s GLU 508 N 0.27 3.72 0.00 2.90 4.04 0.29 -2.40 118.70 127.52 3gyr s GLU 508 Ca 0.57 1.55 0.00 0.00 0.04 0.00 0.00 54.97 57.13 3gyr s GLU 508 Cb -0.34 -2.21 0.00 0.00 0.02 0.00 0.00 34.13 31.61 3gyr s GLU 508 CO 0.34 -0.54 0.00 0.41 -1.84 0.00 0.00 175.26 173.64 3gyr n GLY 509 N 0.12 2.25 3.86 -3.83 0.00 0.14 -4.60 105.19 103.13 3gyr n GLY 509 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.39 4.63 -0.06 2.61 -4.23 -1.01 -4.80 115.64 110.39 3gyr s THR 510 Ca 0.00 1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.49 3gyr s THR 510 Cb 0.00 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 3gyr s THR 510 CO 0.00 -0.82 0.07 -1.00 -0.54 0.00 0.00 174.62 172.33 3gyr s HIS 511 N -2.77 3.32 0.03 3.99 3.76 -1.26 -1.48 115.29 120.89 3gyr s HIS 511 Ca 0.56 0.28 0.04 0.00 -0.15 0.00 0.00 55.06 55.80 3gyr s HIS 511 Cb -0.10 -1.81 -0.02 0.00 1.11 0.00 0.00 32.58 31.76 3gyr s HIS 511 CO 0.39 0.57 -0.12 -1.21 -0.85 0.00 0.00 174.74 173.52 3gyr s GLU 512 N -1.23 0.80 -0.22 1.40 2.02 0.39 -1.67 118.70 120.18 3gyr s GLU 512 Ca 0.17 -0.68 -0.15 0.00 0.02 0.00 0.00 54.97 54.33 3gyr s GLU 512 Cb -0.12 -0.76 -0.04 0.00 0.10 0.00 0.00 34.13 33.31 3gyr s GLU 512 CO 0.07 0.18 0.36 -1.14 0.02 0.00 0.00 175.26 174.75 3gyr s GLN 513 N -1.09 4.12 -0.12 1.61 0.74 0.33 -1.39 119.66 123.87 3gyr s GLN 513 Ca -0.00 0.10 -0.04 0.00 0.05 0.00 0.00 55.36 55.46 3gyr s GLN 513 Cb -0.07 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 3gyr s GLN 513 CO 0.01 -0.08 0.04 -1.58 -0.55 0.00 0.00 175.29 173.13 3gyr s TRP 514 N 1.44 3.25 -0.21 1.67 0.52 0.67 -1.50 118.94 124.78 3gyr s TRP 514 Ca 0.16 0.19 -0.04 0.00 0.02 0.00 0.00 56.10 56.43 3gyr s TRP 514 Cb -0.15 -1.89 -0.01 0.00 -1.15 0.00 0.00 33.47 30.26 3gyr s TRP 514 CO 0.08 0.41 -0.03 0.99 0.02 0.00 0.00 176.95 178.42 3gyr s THR 515 N -0.53 3.56 -0.40 2.01 2.01 -0.41 -0.71 115.64 121.18 3gyr s THR 515 Ca 0.10 -0.44 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 3gyr s THR 515 Cb -0.12 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 69.79 3gyr s THR 515 CO 0.02 0.42 0.42 -0.36 -0.69 0.00 0.00 174.62 174.44 3gyr s PHE 516 N 1.30 3.18 -0.60 4.92 0.40 -0.00 -0.51 117.98 126.67 3gyr s PHE 516 Ca 0.04 -0.27 -0.07 0.00 -0.60 0.00 0.00 56.93 56.02 3gyr s PHE 516 Cb -0.14 -2.84 0.16 0.00 0.51 0.00 0.00 43.02 40.70 3gyr s PHE 516 CO -0.01 -0.63 0.46 -1.17 0.70 0.00 0.00 175.22 174.57 3gyr s LEU 517 N 2.12 5.70 -0.18 -0.37 2.96 0.36 -0.97 118.68 128.30 3gyr s LEU 517 Ca 0.12 -2.47 -0.28 0.00 -0.22 0.00 0.00 54.13 51.28 3gyr s LEU 517 Cb -0.17 -1.98 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 3gyr s LEU 517 CO 0.13 -0.53 0.99 0.21 -1.32 0.00 0.00 176.35 175.84 3gyr s ASN 518 N 1.70 7.12 0.00 3.68 3.84 0.31 -1.19 114.94 130.40 3gyr s ASN 518 Ca 0.13 1.39 0.25 0.00 0.21 0.00 0.00 52.86 54.84 3gyr s ASN 518 Cb -0.20 -2.53 0.47 0.00 -0.55 0.00 0.00 41.25 38.44 3gyr s ASN 518 CO -0.04 -0.55 1.42 0.18 -2.79 0.00 0.00 177.10 175.32 3gyr n LEU 519 N 5.73 2.53 -4.80 3.21 4.77 0.37 -1.16 117.00 127.66 3gyr n LEU 519 Ca 0.10 -0.85 -0.28 0.00 -0.03 0.00 0.00 56.01 54.94 3gyr n LEU 519 Cb 0.47 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3gyr n LEU 519 CO 0.51 0.43 -0.12 -0.94 -1.33 0.00 0.00 177.39 175.94 3gyr s SER 520 N -1.98 4.38 -0.15 -1.43 1.04 -1.26 -4.70 113.70 109.60 3gyr s SER 520 Ca 0.31 -1.33 0.10 0.00 0.48 0.00 0.00 55.95 55.51 3gyr s SER 520 Cb 0.20 0.14 0.54 0.00 0.10 0.00 0.00 66.02 67.01 3gyr s SER 520 CO 0.31 -0.83 1.34 -0.81 0.98 0.00 0.00 173.24 174.23 3gyr n PRO 521 N -1.41 3.55 -3.56 4.02 -0.04 -1.26 -0.57 135.00 135.72 3gyr n PRO 521 Ca -0.07 -2.09 -0.38 0.00 -0.04 0.00 0.00 63.50 60.92 3gyr n PRO 521 Cb 0.65 -1.99 -0.10 0.00 -0.04 0.00 0.00 33.50 32.03 3gyr n PRO 521 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gyr s ILE 522 N -2.14 5.29 -0.03 0.52 1.01 -1.26 -4.34 121.20 120.25 3gyr s ILE 522 Ca 0.36 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 61.03 3gyr s ILE 522 Cb 0.27 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 3gyr s ILE 522 CO 0.11 0.27 1.42 -0.22 0.00 0.00 0.00 174.94 176.53 3gyr s LEU 523 N 1.47 4.30 -0.16 2.97 0.20 -1.26 -4.37 118.68 121.82 3gyr s LEU 523 Ca 0.10 2.07 0.00 0.00 0.69 0.00 0.00 54.13 57.00 3gyr s LEU 523 Cb -0.15 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 3gyr s LEU 523 CO 0.08 -0.76 -0.16 -1.00 -0.29 0.00 0.00 176.35 174.22 3gyr s HIS 524 N 2.83 2.78 -0.77 5.38 3.76 -0.85 -4.94 115.29 123.49 3gyr s HIS 524 Ca 0.64 -1.20 -0.25 0.00 -0.15 0.00 0.00 55.06 54.10 3gyr s HIS 524 Cb -0.30 -1.91 0.05 0.00 1.11 0.00 0.00 32.58 31.52 3gyr s HIS 524 CO 0.25 -0.57 1.22 -1.25 -0.85 0.00 0.00 174.74 173.55 3gyr s PRO 525 N 0.98 3.24 0.09 8.40 0.05 -1.26 -0.76 135.00 145.74 3gyr s PRO 525 Ca -0.02 -0.56 -0.28 0.00 0.05 0.00 0.00 61.00 60.19 3gyr s PRO 525 Cb -0.15 -4.38 -0.06 0.00 0.05 0.00 0.00 34.50 29.97 3gyr s PRO 525 CO -0.03 -2.07 0.89 -1.64 0.05 0.00 0.00 177.00 174.20 3gyr s MET 526 N 5.13 4.62 -0.04 4.56 -1.94 -0.28 -0.21 119.30 131.14 3gyr s MET 526 Ca 0.33 1.31 0.02 0.00 -1.71 0.00 0.00 55.69 55.64 3gyr s MET 526 Cb -0.09 -3.37 0.01 0.00 2.01 0.00 0.00 34.83 33.40 3gyr s MET 526 CO 0.10 0.24 -0.07 -1.58 -0.01 0.00 0.00 175.02 173.70 3gyr s HIS 527 N -0.03 0.93 -0.14 -0.03 5.04 0.73 -0.78 115.29 121.01 3gyr s HIS 527 Ca 0.44 -0.27 -0.00 0.00 -1.54 0.00 0.00 55.06 53.68 3gyr s HIS 527 Cb -0.22 -0.73 -0.01 0.00 0.04 0.00 0.00 32.58 31.65 3gyr s HIS 527 CO 0.27 -0.18 -0.13 0.42 -2.34 0.00 0.00 174.74 172.78 3gyr s ILE 528 N 0.64 2.97 0.94 0.89 1.01 -1.08 -1.20 121.20 125.36 3gyr s ILE 528 Ca -0.10 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 3gyr s ILE 528 Cb -0.13 -2.25 0.15 0.00 0.01 0.00 0.00 42.46 40.25 3gyr s ILE 528 CO 0.01 0.52 1.09 -1.00 0.00 0.00 0.00 174.94 175.56 3gyr s HIS 529 N 0.46 2.23 0.00 3.97 3.76 -0.36 -4.42 115.29 120.94 3gyr s HIS 529 Ca -0.10 1.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.96 3gyr s HIS 529 Cb -0.16 -3.20 0.00 0.00 1.11 0.00 0.00 32.58 30.33 3gyr s HIS 529 CO 0.05 -2.59 0.00 -0.11 -0.85 0.00 0.00 174.74 171.23 3gyr n LEU 530 N -4.00 0.00 -4.88 0.89 7.94 -1.26 -4.91 117.00 110.79 3gyr n LEU 530 Ca 0.06 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.67 3gyr n LEU 530 Cb 0.56 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.50 3gyr n LEU 530 CO 0.56 0.00 0.55 0.00 -1.11 0.00 0.00 177.39 177.39 3gyr s ALA 531 N 0.00 3.26 -0.12 1.96 0.00 -1.26 -4.43 121.76 121.16 3gyr s ALA 531 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 3gyr s ALA 531 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 3gyr s ALA 531 CO 0.00 -0.34 0.12 -0.51 0.00 0.00 0.00 175.76 175.03 3gyr s ASP 532 N -3.75 6.19 0.22 0.00 1.01 -1.26 -4.78 116.67 114.30 3gyr s ASP 532 Ca 0.52 0.39 0.09 0.00 0.71 0.00 0.00 52.55 54.26 3gyr s ASP 532 Cb -0.10 -1.99 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 3gyr s ASP 532 CO 0.42 0.38 -0.16 -0.36 0.21 0.00 0.00 175.17 175.66 3gyr s PHE 533 N -0.85 1.86 0.07 4.23 0.40 0.13 -3.95 117.98 119.87 3gyr s PHE 533 Ca 0.14 -0.51 0.09 0.00 -0.60 0.00 0.00 56.93 56.05 3gyr s PHE 533 Cb -0.12 -0.85 -0.03 0.00 0.51 0.00 0.00 43.02 42.54 3gyr s PHE 533 CO 0.03 0.45 -0.25 -0.65 0.70 0.00 0.00 175.22 175.50 3gyr s GLN 534 N -3.60 1.57 -0.06 0.44 -0.21 -0.33 -0.69 119.66 116.78 3gyr s GLN 534 Ca 0.24 -1.14 -0.30 0.00 0.02 0.00 0.00 55.36 54.19 3gyr s GLN 534 Cb -0.02 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 32.14 3gyr s GLN 534 CO 0.09 0.46 1.15 0.08 -2.12 0.00 0.00 175.29 174.95 3gyr s VAL 535 N -0.89 4.38 -0.18 1.09 1.01 -1.26 -0.94 120.40 123.61 3gyr s VAL 535 Ca 0.11 1.69 0.02 0.00 0.00 0.00 0.00 61.98 63.81 3gyr s VAL 535 Cb -0.10 -4.09 -0.22 0.00 0.00 0.00 0.00 36.38 31.98 3gyr s VAL 535 CO 0.03 0.00 0.11 0.18 0.00 0.00 0.00 175.10 175.42 3gyr n LEU 536 N 5.12 2.22 -3.66 3.92 4.77 0.66 -4.95 117.00 125.10 3gyr n LEU 536 Ca 0.10 0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 3gyr n LEU 536 Cb 0.47 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 3gyr n LEU 536 CO 0.54 0.79 0.94 -0.83 -1.33 0.00 0.00 177.39 177.51 3gyr s GLY 537 N -5.91 -0.35 0.01 -0.72 0.00 -1.06 -5.00 107.32 94.29 3gyr s GLY 537 Ca -0.24 0.58 0.02 0.00 0.00 0.00 0.00 44.72 45.07 3gyr s GLY 537 CO 0.71 0.11 -0.05 0.50 0.00 0.00 0.00 173.10 174.37 3gyr s ARG 538 N -2.71 0.41 -0.04 2.90 0.52 -1.26 -0.99 118.95 117.78 3gyr s ARG 538 Ca 0.13 -0.38 -0.03 0.00 -0.52 0.00 0.00 55.73 54.93 3gyr s ARG 538 Cb 0.02 -0.30 0.02 0.00 0.52 0.00 0.00 34.95 35.21 3gyr s ARG 538 CO -0.02 0.07 0.10 -0.51 0.02 0.00 0.00 175.30 174.96 3gyr s ASP 539 N -0.66 -0.08 0.46 0.23 1.11 -0.71 -4.37 116.67 112.65 3gyr s ASP 539 Ca -0.03 0.19 -0.21 0.00 0.18 0.00 0.00 52.55 52.68 3gyr s ASP 539 Cb -0.05 0.16 -0.09 0.00 1.07 0.00 0.00 42.92 44.01 3gyr s ASP 539 CO -0.00 -0.07 1.04 0.00 1.18 0.00 0.00 175.17 177.32 3gyr s ALA 540 N 0.44 2.93 0.14 5.23 0.00 -1.26 -0.40 121.76 128.83 3gyr s ALA 540 Ca -0.03 0.64 0.06 0.00 0.00 0.00 0.00 51.96 52.63 3gyr s ALA 540 Cb -0.05 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3gyr s ALA 540 CO -0.02 -0.30 -0.13 0.71 0.00 0.00 0.00 175.76 176.02 3gyr s TYR 541 N -1.89 1.42 -0.39 0.00 2.02 -1.22 -1.47 117.35 115.82 3gyr s TYR 541 Ca 0.65 -0.59 -0.12 0.00 -0.37 0.00 0.00 57.07 56.64 3gyr s TYR 541 Cb -0.18 -0.72 0.03 0.00 -0.40 0.00 0.00 41.96 40.69 3gyr s TYR 541 CO 0.22 0.16 0.24 0.34 -1.57 0.00 0.00 175.55 174.94 3gyr s ASP 542 N -2.70 5.83 0.00 2.29 2.15 -0.14 -4.62 116.67 119.48 3gyr s ASP 542 Ca 0.12 -1.03 0.24 0.00 0.43 0.00 0.00 52.55 52.31 3gyr s ASP 542 Cb -0.03 -2.06 0.28 0.00 -0.30 0.00 0.00 42.92 40.81 3gyr s ASP 542 CO 0.03 -0.42 1.29 0.00 -0.17 0.00 0.00 175.17 175.90 3gyr n ALA 543 N 5.03 2.81 -0.09 3.66 0.00 -1.26 -2.04 120.51 128.62 3gyr n ALA 543 Ca -0.11 -0.63 0.25 0.00 0.00 0.00 0.00 53.44 52.95 3gyr n ALA 543 Cb 0.46 -0.87 0.55 0.00 0.00 0.00 0.00 19.45 19.59 3gyr n ALA 543 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gyr h SER 544 N 3.58 0.00 0.32 0.00 4.64 -1.92 0.18 113.55 120.35 3gyr h SER 544 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gyr h SER 544 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3gyr h SER 544 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3gyr n GLY 545 N -1.63 -0.91 3.62 -0.77 0.00 -1.26 -4.71 105.19 99.53 3gyr n GLY 545 Ca 0.17 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.47 3.24 -0.38 1.61 2.19 0.62 -0.77 117.98 122.02 3gyr s PHE 546 Ca 0.22 0.88 -0.16 0.00 0.33 0.00 0.00 56.93 58.20 3gyr s PHE 546 Cb 0.14 -3.11 0.00 0.00 -1.31 0.00 0.00 43.02 38.74 3gyr s PHE 546 CO 0.30 -0.49 0.37 0.34 1.83 0.00 0.00 175.22 177.57 3gyr s ASP 547 N 1.53 6.16 0.22 6.13 -1.08 0.24 -4.95 116.67 124.93 3gyr s ASP 547 Ca 0.32 -0.49 -0.09 0.00 -0.52 0.00 0.00 52.55 51.76 3gyr s ASP 547 Cb -0.15 -2.19 0.19 0.00 -1.46 0.00 0.00 42.92 39.31 3gyr s ASP 547 CO 0.11 -0.42 1.88 -0.07 0.52 0.00 0.00 175.17 177.18 3gyr h LEU 548 N 8.81 0.88 -1.59 -1.34 4.07 -1.89 0.10 115.31 124.34 3gyr h LEU 548 Ca -0.28 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.66 3gyr h LEU 548 Cb 1.13 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 3gyr h LEU 548 CO 0.73 0.62 0.24 0.00 -1.08 0.00 0.00 178.44 178.95 3gyr h ALA 549 N 1.31 1.70 0.00 1.53 0.00 -1.92 0.10 119.26 121.98 3gyr h ALA 549 Ca 0.30 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 3gyr h ALA 549 Cb -0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3gyr h ALA 549 CO -0.08 0.27 -1.22 1.25 0.00 0.00 0.00 179.25 179.47 3gyr h LEU 550 N 0.52 0.00 -0.81 0.00 5.85 -1.76 -3.42 115.31 115.69 3gyr h LEU 550 Ca 0.14 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.52 3gyr h LEU 550 Cb -0.03 0.00 0.12 0.00 0.37 0.00 0.00 40.66 41.11 3gyr h LEU 550 CO -0.03 0.81 -0.57 0.61 -0.34 0.00 0.00 178.44 178.91 3gyr n GLY 551 N 1.40 -0.32 3.81 3.75 0.00 0.27 -3.39 105.19 110.71 3gyr n GLY 551 Ca -0.07 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.25 0.13 0.05 -0.02 0.00 -1.10 0.15 107.32 103.28 3gyr s GLY 552 Ca 0.49 -0.51 -0.23 0.00 0.00 0.00 0.00 44.72 44.47 3gyr s GLY 552 CO 0.61 -0.22 0.69 -0.51 0.00 0.00 0.00 173.10 173.66 3gyr s THR 553 N -3.45 4.74 -0.10 0.90 -4.23 -0.65 0.82 115.64 113.67 3gyr s THR 553 Ca 0.14 1.46 -0.02 0.00 -1.18 0.00 0.00 61.69 62.09 3gyr s THR 553 Cb -0.05 -4.03 -0.01 0.00 1.34 0.00 0.00 72.50 69.75 3gyr s THR 553 CO 0.09 0.43 -0.04 0.03 -0.54 0.00 0.00 174.62 174.58 3gyr h ARG 554 N 5.34 0.00 -6.21 3.99 3.08 -1.31 -3.39 114.38 115.88 3gyr h ARG 554 Ca -0.45 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.00 3gyr h ARG 554 Cb 1.20 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.18 3gyr h ARG 554 CO 0.69 0.00 -0.58 0.95 -1.07 0.00 0.00 179.97 179.95 3gyr s THR 555 N -1.65 4.42 0.80 2.04 -4.23 -1.22 -4.78 115.64 111.03 3gyr s THR 555 Ca -0.03 -1.03 -0.14 0.00 -1.18 0.00 0.00 61.69 59.30 3gyr s THR 555 Cb 0.00 -3.22 0.06 0.00 1.34 0.00 0.00 72.50 70.69 3gyr s THR 555 CO 0.05 -0.05 1.05 -2.65 -0.54 0.00 0.00 174.62 172.49 3gyr n PRO 556 N -0.11 0.19 -2.28 3.99 -0.02 -1.26 -4.33 135.00 131.18 3gyr n PRO 556 Ca -0.09 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 3gyr n PRO 556 Cb 0.54 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 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 -2.09 3.58 -0.12 -1.45 1.01 0.48 -4.50 120.40 117.31 3gyr s VAL 557 Ca 0.71 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.84 3gyr s VAL 557 Cb -0.30 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3gyr s VAL 557 CO 0.53 0.10 -0.12 -0.60 0.00 0.00 0.00 175.10 175.01 3gyr s ARG 558 N 0.96 3.29 0.15 2.72 3.52 -0.87 -0.32 118.95 128.41 3gyr s ARG 558 Ca 0.61 -0.66 -0.31 0.00 -0.13 0.00 0.00 55.73 55.24 3gyr s ARG 558 Cb -0.34 -2.64 -0.10 0.00 -1.56 0.00 0.00 34.95 30.32 3gyr s ARG 558 CO 0.31 0.29 1.59 -1.17 -0.81 0.00 0.00 175.30 175.50 3gyr s LEU 559 N 0.17 4.37 -1.06 -0.88 0.20 -0.08 -0.97 118.68 120.43 3gyr s LEU 559 Ca -0.06 2.60 -0.07 0.00 0.69 0.00 0.00 54.13 57.28 3gyr s LEU 559 Cb -0.15 -3.59 0.27 0.00 -0.43 0.00 0.00 46.19 42.29 3gyr s LEU 559 CO 0.05 -0.84 1.04 -0.67 -0.29 0.00 0.00 176.35 175.64 3gyr n ASP 560 N 4.31 5.21 -0.35 3.68 -0.08 -0.54 -4.85 116.55 123.93 3gyr n ASP 560 Ca 0.14 -3.07 0.00 0.00 -1.51 0.00 0.00 54.79 50.35 3gyr n ASP 560 Cb 0.39 -1.29 0.00 0.00 2.34 0.00 0.00 41.12 42.56 3gyr n ASP 560 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3gyr n PRO 561 N 2.53 0.95 -0.00 -0.67 -0.04 -1.26 -2.09 135.00 134.42 3gyr n PRO 561 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3gyr n PRO 561 Cb 0.38 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3gyr n PRO 561 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3gyr n ASP 562 N -0.14 1.93 -4.13 3.54 5.68 -1.26 -4.69 116.55 117.48 3gyr n ASP 562 Ca 0.00 -1.93 -0.38 0.00 -0.50 0.00 0.00 54.79 51.98 3gyr n ASP 562 Cb 0.16 -0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.07 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 -0.93 4.26 0.55 2.12 2.01 -0.89 -5.09 115.64 117.68 3gyr s THR 563 Ca 0.00 -3.33 -0.19 0.00 0.31 0.00 0.00 61.69 58.48 3gyr s THR 563 Cb 0.00 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 3gyr s THR 563 CO 0.00 -1.00 1.14 -2.16 -0.69 0.00 0.00 174.62 171.92 3gyr s PRO 564 N -0.65 3.29 -0.35 4.92 0.04 -1.26 -4.15 135.00 136.83 3gyr s PRO 564 Ca 0.22 1.64 0.03 0.00 0.04 0.00 0.00 61.00 62.93 3gyr s PRO 564 Cb -0.13 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.52 3gyr s PRO 564 CO -0.08 -0.91 0.09 0.08 0.04 0.00 0.00 177.00 176.22 3gyr s VAL 565 N -1.75 1.90 0.55 -0.36 1.01 -1.26 -4.94 120.40 115.54 3gyr s VAL 565 Ca 0.73 -2.21 -0.17 0.00 0.00 0.00 0.00 61.98 60.34 3gyr s VAL 565 Cb -0.25 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 3gyr s VAL 565 CO 0.28 -0.65 1.03 -2.16 0.00 0.00 0.00 175.10 173.60 3gyr s PRO 566 N 0.95 3.59 0.43 2.72 0.04 -1.26 -4.40 135.00 137.06 3gyr s PRO 566 Ca 0.12 1.19 -0.24 0.00 0.04 0.00 0.00 61.00 62.10 3gyr s PRO 566 Cb -0.19 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 3gyr s PRO 566 CO -0.11 -0.58 1.20 -0.51 0.04 0.00 0.00 177.00 177.03 3gyr s LEU 567 N -4.12 4.12 0.27 -3.56 1.43 -1.26 -4.97 118.68 110.58 3gyr s LEU 567 Ca 0.63 2.41 -0.30 0.00 -1.03 0.00 0.00 54.13 55.85 3gyr s LEU 567 Cb -0.15 -4.09 -0.11 0.00 0.03 0.00 0.00 46.19 41.88 3gyr s LEU 567 CO 0.31 -0.84 1.49 0.00 0.23 0.00 0.00 176.35 177.54 3gyr s ALA 568 N -1.42 3.67 0.30 4.21 0.00 -1.26 -4.88 121.76 122.37 3gyr s ALA 568 Ca 0.60 1.42 0.32 0.00 0.00 0.00 0.00 51.96 54.30 3gyr s ALA 568 Cb -0.32 -3.59 1.76 0.00 0.00 0.00 0.00 23.12 20.97 3gyr s ALA 568 CO 0.40 -0.83 1.98 -1.35 0.00 0.00 0.00 175.76 175.96 3gyr h PRO 569 N 4.93 0.00 -0.57 0.00 0.11 -1.94 -1.57 132.00 132.96 3gyr h PRO 569 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gyr h PRO 569 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gyr h PRO 569 CO 0.78 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.84 3gyr n ASN 570 N -2.68 3.53 -1.59 -2.05 6.94 -1.26 -4.36 115.26 113.79 3gyr n ASN 570 Ca -0.02 -2.00 -0.12 0.00 -0.02 0.00 0.00 54.58 52.42 3gyr n ASN 570 Cb 0.11 -0.38 0.20 0.00 -2.36 0.00 0.00 39.78 37.34 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 1.19 2.08 -0.15 -3.83 0.28 -0.59 -4.50 120.64 115.12 3gyr n GLU 571 Ca 0.19 -3.12 0.12 0.00 -0.16 0.00 0.00 57.16 54.19 3gyr n GLU 571 Cb 0.54 -1.97 0.24 0.00 1.43 0.00 0.00 31.44 31.68 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 -1.09 3.05 0.00 -1.84 4.77 -1.26 -4.19 117.00 116.44 3gyr n LEU 572 Ca 0.43 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 3gyr n LEU 572 Cb 1.29 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 3gyr n LEU 572 CO 0.36 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3gyr n GLY 573 N 1.42 2.50 3.66 -0.72 0.00 -1.26 -4.82 105.19 105.97 3gyr n GLY 573 Ca 0.18 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 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 4.13 3.37 0.12 1.61 3.76 -1.26 -4.50 115.29 122.52 3gyr s HIS 574 Ca 0.00 0.73 0.06 0.00 -0.15 0.00 0.00 55.06 55.70 3gyr s HIS 574 Cb 0.00 -2.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.02 3gyr s HIS 574 CO 0.00 -0.08 -0.14 0.15 -0.85 0.00 0.00 174.74 173.82 3gyr s LYS 575 N 1.56 1.02 0.00 1.40 -0.14 0.13 -1.49 119.74 122.21 3gyr s LYS 575 Ca 0.23 -1.23 0.00 0.00 -1.36 0.00 0.00 55.97 53.61 3gyr s LYS 575 Cb -0.15 -0.92 0.00 0.00 -1.68 0.00 0.00 37.83 35.08 3gyr s LYS 575 CO 0.09 0.18 0.18 -0.40 -0.76 0.00 0.00 175.35 174.64 3gyr n ASP 576 N 0.58 0.33 -3.85 2.83 5.68 -1.26 -0.70 116.55 120.16 3gyr n ASP 576 Ca -0.16 -1.02 -0.23 0.00 -0.50 0.00 0.00 54.79 52.88 3gyr n ASP 576 Cb 0.57 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.02 0.63 -0.09 2.12 1.01 -1.26 -2.63 120.40 120.16 3gyr s VAL 577 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3gyr s VAL 577 Cb 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.68 3gyr s VAL 577 CO 0.00 0.29 -0.19 -0.36 0.00 0.00 0.00 175.10 174.84 3gyr s PHE 578 N 1.59 2.12 0.09 5.22 0.08 0.04 -4.86 117.98 122.26 3gyr s PHE 578 Ca 0.00 -0.89 -0.31 0.00 0.12 0.00 0.00 56.93 55.86 3gyr s PHE 578 Cb -0.13 -1.47 -0.07 0.00 -0.57 0.00 0.00 43.02 40.78 3gyr s PHE 578 CO -0.04 -0.40 1.34 -0.65 -0.10 0.00 0.00 175.22 175.37 3gyr s GLN 579 N 0.58 4.34 -0.50 0.44 -0.21 -1.26 -1.13 119.66 121.93 3gyr s GLN 579 Ca -0.15 1.99 0.04 0.00 0.02 0.00 0.00 55.36 57.26 3gyr s GLN 579 Cb -0.17 -3.31 0.13 0.00 1.00 0.00 0.00 33.01 30.66 3gyr s GLN 579 CO 0.05 -0.41 0.24 0.08 -2.12 0.00 0.00 175.29 173.13 3gyr s VAL 580 N 1.23 2.55 1.15 1.09 1.01 0.06 -4.93 120.40 122.55 3gyr s VAL 580 Ca 0.63 -3.22 -0.12 0.00 0.00 0.00 0.00 61.98 59.27 3gyr s VAL 580 Cb -0.34 -2.78 0.28 0.00 0.00 0.00 0.00 36.38 33.53 3gyr s VAL 580 CO 0.30 -0.78 1.04 -2.84 0.00 0.00 0.00 175.10 172.82 3gyr s PRO 581 N -0.16 -0.80 0.00 2.72 0.02 -1.26 -2.00 135.00 133.51 3gyr s PRO 581 Ca 0.16 0.94 0.00 0.00 0.02 0.00 0.00 61.00 62.12 3gyr s PRO 581 Cb -0.25 -1.56 0.00 0.00 0.02 0.00 0.00 34.50 32.71 3gyr s PRO 581 CO -0.01 -3.67 0.00 0.41 -0.33 0.00 0.00 177.00 173.40 3gyr n GLY 582 N 0.83 -0.84 3.23 0.52 0.00 -1.26 -4.30 105.19 103.37 3gyr n GLY 582 Ca 0.04 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 3gyr n GLY 582 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gyr n PRO 583 N 0.00 0.00 -3.62 1.61 -0.04 0.26 -4.74 135.00 128.46 3gyr n PRO 583 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 3gyr n PRO 583 Cb 0.00 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 3gyr n PRO 583 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3gyr s GLN 584 N 8.24 0.18 -0.06 0.54 0.74 -0.31 -3.39 119.66 125.59 3gyr s GLN 584 Ca 1.25 -0.01 0.04 0.00 0.05 0.00 0.00 55.36 56.69 3gyr s GLN 584 Cb -1.15 0.08 -0.02 0.00 1.10 0.00 0.00 33.01 33.02 3gyr s GLN 584 CO 0.46 -0.07 -0.16 0.20 -0.55 0.00 0.00 175.29 175.17 3gyr s GLY 585 N -1.51 1.49 -0.12 2.59 0.00 0.46 -0.53 107.32 109.70 3gyr s GLY 585 Ca 0.08 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.85 3gyr s GLY 585 CO -0.05 -0.68 -0.20 -2.27 0.00 0.00 0.00 173.10 169.90 3gyr s LEU 586 N -0.49 1.98 -0.21 0.66 2.96 -0.14 -1.74 118.68 121.71 3gyr s LEU 586 Ca 0.06 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 53.35 3gyr s LEU 586 Cb -0.12 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 3gyr s LEU 586 CO 0.01 0.07 0.10 -0.13 -1.32 0.00 0.00 176.35 175.08 3gyr s ARG 587 N 0.78 3.99 0.02 1.98 0.52 -0.16 -0.82 118.95 125.26 3gyr s ARG 587 Ca -0.09 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.82 3gyr s ARG 587 Cb -0.16 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 31.96 3gyr s ARG 587 CO 0.00 0.17 -0.09 0.54 0.02 0.00 0.00 175.30 175.94 3gyr s VAL 588 N 0.68 0.68 0.01 3.52 0.11 0.11 -0.24 120.40 125.28 3gyr s VAL 588 Ca 0.05 -0.74 0.04 0.00 -2.93 0.00 0.00 61.98 58.40 3gyr s VAL 588 Cb -0.13 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 3gyr s VAL 588 CO 0.01 -0.07 -0.11 -0.32 -3.33 0.00 0.00 175.10 171.28 3gyr s MET 589 N -0.90 0.83 0.07 1.54 1.75 -0.11 -0.23 119.30 122.24 3gyr s MET 589 Ca -0.02 -0.55 -0.17 0.00 -1.25 0.00 0.00 55.69 53.70 3gyr s MET 589 Cb -0.06 -0.80 0.04 0.00 2.84 0.00 0.00 34.83 36.84 3gyr s MET 589 CO 0.00 0.21 0.41 0.20 -0.65 0.00 0.00 175.02 175.19 3gyr s GLY 590 N -0.71 -0.27 -0.20 2.11 0.00 -0.48 -1.19 107.32 106.57 3gyr s GLY 590 Ca 0.02 0.19 -0.12 0.00 0.00 0.00 0.00 44.72 44.81 3gyr s GLY 590 CO 0.00 -0.07 0.23 1.25 0.00 0.00 0.00 173.10 174.51 3gyr s LYS 591 N -2.91 4.17 -0.85 2.90 2.20 -1.25 -0.46 119.74 123.53 3gyr s LYS 591 Ca -0.03 -0.08 -0.18 0.00 -0.36 0.00 0.00 55.97 55.32 3gyr s LYS 591 Cb 0.00 -3.48 0.14 0.00 -1.51 0.00 0.00 37.83 32.98 3gyr s LYS 591 CO -0.06 0.15 0.99 -0.06 -0.36 0.00 0.00 175.35 176.02 3gyr s PHE 592 N 0.77 3.20 -0.10 4.03 0.08 -0.55 -4.26 117.98 121.15 3gyr s PHE 592 Ca 0.12 -1.39 0.02 0.00 0.12 0.00 0.00 56.93 55.80 3gyr s PHE 592 Cb -0.13 -4.16 0.01 0.00 -0.57 0.00 0.00 43.02 38.18 3gyr s PHE 592 CO 0.03 -1.38 -0.14 0.34 -0.10 0.00 0.00 175.22 173.97 3gyr s ASP 593 N 3.35 2.35 0.00 1.36 2.15 -1.26 0.26 116.67 124.87 3gyr s ASP 593 Ca 0.26 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.84 3gyr s ASP 593 Cb -0.09 -1.05 0.00 0.00 -0.30 0.00 0.00 42.92 41.48 3gyr s ASP 593 CO -0.06 0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 3gyr n GLY 594 N 4.19 0.78 3.80 2.66 0.00 -1.26 -4.95 105.19 110.41 3gyr n GLY 594 Ca -0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 -1.45 0.22 4.61 0.00 -1.26 -4.75 121.76 117.14 3gyr s ALA 595 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 51.95 3gyr s ALA 595 Cb 0.00 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 3gyr s ALA 595 CO 0.00 -1.03 -0.08 0.71 0.00 0.00 0.00 175.76 175.36 3gyr s TYR 596 N -3.60 1.68 -2.45 0.00 2.02 -1.26 -4.85 117.35 108.89 3gyr s TYR 596 Ca 0.11 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 3gyr s TYR 596 Cb -0.04 -0.89 0.00 0.00 -0.40 0.00 0.00 41.96 40.64 3gyr s TYR 596 CO 0.04 0.21 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 3gyr n GLY 597 N -0.42 0.72 3.62 0.71 0.00 0.86 -1.20 105.19 109.48 3gyr n GLY 597 Ca -0.07 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.98 4.01 0.00 1.61 3.52 -1.26 -0.74 118.95 125.11 3gyr s ARG 598 Ca 0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.42 3gyr s ARG 598 Cb 0.00 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 3gyr s ARG 598 CO 0.00 -0.14 0.00 1.19 -0.81 0.00 0.00 175.30 175.54 3gyr n PHE 599 N 4.91 0.00 -4.01 5.12 3.72 0.39 -4.57 117.46 123.01 3gyr n PHE 599 Ca -0.12 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.18 3gyr n PHE 599 Cb 0.52 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.95 3gyr n PHE 599 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 3gyr s MET 600 N -0.28 0.39 0.09 -1.08 1.75 -1.26 -1.54 119.30 117.37 3gyr s MET 600 Ca 0.00 -0.71 0.02 0.00 -1.25 0.00 0.00 55.69 53.74 3gyr s MET 600 Cb 0.00 0.03 -0.04 0.00 2.84 0.00 0.00 34.83 37.66 3gyr s MET 600 CO 0.00 -0.03 -0.06 1.52 -0.65 0.00 0.00 175.02 175.79 3gyr s TYR 601 N -1.72 0.83 0.00 4.11 -0.85 -0.18 -1.22 117.35 118.33 3gyr s TYR 601 Ca -0.12 -0.86 0.00 0.00 -0.52 0.00 0.00 57.07 55.56 3gyr s TYR 601 Cb -0.08 -0.49 0.00 0.00 0.38 0.00 0.00 41.96 41.77 3gyr s TYR 601 CO -0.02 -0.16 0.00 -2.39 -1.52 0.00 0.00 175.55 171.47 3gyr n HIS 602 N 0.19 0.00 -2.62 -3.49 1.44 -0.34 -1.33 115.22 109.08 3gyr n HIS 602 Ca -0.14 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.18 3gyr n HIS 602 Cb 0.60 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.66 3gyr n HIS 602 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gyr n HIS 604 N 0.99 2.20 -2.72 0.00 -0.00 0.70 -4.25 115.22 112.14 3gyr n HIS 604 Ca 0.00 -1.06 -0.43 0.00 0.46 0.00 0.00 57.72 56.70 3gyr n HIS 604 Cb 0.47 -0.61 -0.03 0.00 -0.12 0.00 0.00 29.99 29.70 3gyr n HIS 604 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3gyr s LEU 605 N -2.93 3.90 0.45 0.27 1.43 -1.26 -4.69 118.68 115.85 3gyr s LEU 605 Ca 0.54 0.64 0.11 0.00 -1.03 0.00 0.00 54.13 54.39 3gyr s LEU 605 Cb 0.43 -3.40 1.02 0.00 0.03 0.00 0.00 46.19 44.27 3gyr s LEU 605 CO 0.13 -0.97 2.08 -0.07 0.23 0.00 0.00 176.35 177.76 3gyr h LEU 606 N 10.38 0.26 -0.82 1.79 3.38 -1.29 0.11 115.31 129.13 3gyr h LEU 606 Ca -0.22 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3gyr h LEU 606 Cb 1.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3gyr h LEU 606 CO 1.03 0.21 -0.25 -0.33 0.09 0.00 0.00 178.44 179.19 3gyr h GLU 607 N 0.30 0.61 -0.18 1.13 3.07 -1.92 0.20 114.58 117.79 3gyr h GLU 607 Ca 0.08 -0.24 -0.19 0.00 -0.50 0.00 0.00 59.36 58.51 3gyr h GLU 607 Cb -0.00 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 27.88 3gyr h GLU 607 CO -0.01 0.80 -0.63 0.45 -1.40 0.00 0.00 179.01 178.22 3gyr h HIS 608 N 0.53 0.98 -0.57 4.33 3.86 -1.44 -2.68 115.15 120.16 3gyr h HIS 608 Ca 0.07 -0.40 0.07 0.00 -1.16 0.00 0.00 60.37 58.94 3gyr h HIS 608 Cb 0.71 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.96 3gyr h HIS 608 CO 0.03 1.22 0.26 1.49 0.86 0.00 0.00 177.93 181.79 3gyr h GLU 609 N 0.46 0.48 0.00 2.45 4.81 -0.91 -1.46 114.58 120.41 3gyr h GLU 609 Ca -0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3gyr h GLU 609 Cb 1.25 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3gyr h GLU 609 CO 0.13 0.32 0.00 -0.44 -0.73 0.00 0.00 179.01 178.29 3gyr h ASP 610 N 0.49 0.00 -1.06 1.04 3.32 -0.97 -3.11 116.42 116.13 3gyr h ASP 610 Ca 0.27 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.67 3gyr h ASP 610 Cb 0.23 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.45 3gyr h ASP 610 CO -0.22 0.00 0.33 0.23 -1.72 0.00 0.00 179.24 177.87 3gyr n MET 611 N -2.64 3.00 0.00 3.56 2.81 -0.70 -4.58 117.12 118.56 3gyr n MET 611 Ca 0.03 -3.63 0.00 0.00 -1.81 0.00 0.00 57.70 52.29 3gyr n MET 611 Cb 0.35 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.58 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 -0.80 2.19 2.77 3.03 0.00 -1.17 -4.96 105.19 106.25 3gyr n GLY 612 Ca 0.55 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.26 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 2.02 -3.51 1.61 0.00 -0.63 -2.30 117.12 112.31 3gyr n MET 613 Ca 0.00 -1.70 -0.17 0.00 0.00 0.00 0.00 57.70 55.82 3gyr n MET 613 Cb 0.00 -2.68 -0.06 0.00 0.00 0.00 0.00 33.22 30.48 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 3.88 1.07 -0.07 2.12 0.00 -1.26 -2.70 119.30 122.34 3gyr s MET 614 Ca 0.48 0.19 -0.16 0.00 0.00 0.00 0.00 55.69 56.20 3gyr s MET 614 Cb 0.12 0.51 0.03 0.00 0.00 0.00 0.00 34.83 35.49 3gyr s MET 614 CO 0.01 -0.35 0.38 1.03 0.00 0.00 0.00 175.02 176.09 3gyr s ARG 615 N -1.43 0.63 0.57 4.11 1.81 -0.44 -2.12 118.95 122.08 3gyr s ARG 615 Ca -0.10 0.13 -0.13 0.00 -1.72 0.00 0.00 55.73 53.91 3gyr s ARG 615 Cb -0.00 0.29 -0.06 0.00 -0.45 0.00 0.00 34.95 34.73 3gyr s ARG 615 CO 0.08 -0.15 1.00 -1.25 -0.68 0.00 0.00 175.30 174.30 3gyr s PRO 616 N -0.73 3.75 0.03 3.54 0.04 -1.26 -1.01 135.00 139.35 3gyr s PRO 616 Ca -0.08 0.82 -0.03 0.00 0.04 0.00 0.00 61.00 61.75 3gyr s PRO 616 Cb -0.04 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3gyr s PRO 616 CO 0.03 -0.43 0.04 -0.59 0.04 0.00 0.00 177.00 176.09 3gyr s PHE 617 N -2.93 0.25 -0.11 0.56 -0.71 -0.59 -4.52 117.98 109.93 3gyr s PHE 617 Ca 0.56 -0.55 0.03 0.00 -1.04 0.00 0.00 56.93 55.93 3gyr s PHE 617 Cb -0.11 -0.18 -0.00 0.00 -1.21 0.00 0.00 43.02 41.52 3gyr s PHE 617 CO 0.44 -0.30 -0.21 0.08 -1.34 0.00 0.00 175.22 173.89 3gyr s VAL 618 N -2.25 2.32 -0.17 -2.49 1.01 0.09 -0.46 120.40 118.45 3gyr s VAL 618 Ca -0.08 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 3gyr s VAL 618 Cb -0.04 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.43 3gyr s VAL 618 CO -0.03 0.55 -0.14 -0.69 0.00 0.00 0.00 175.10 174.79 3gyr s VAL 619 N 0.40 2.71 0.13 2.92 1.01 0.08 -0.02 120.40 127.63 3gyr s VAL 619 Ca -0.15 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3gyr s VAL 619 Cb -0.17 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3gyr s VAL 619 CO 0.07 0.50 0.00 0.00 0.00 0.00 0.00 175.10 175.68 3gyr s MET 620 N 1.02 0.92 0.32 2.72 0.23 -0.52 -0.10 119.30 123.88 3gyr s MET 620 Ca -0.01 -1.42 -0.29 0.00 -1.03 0.00 0.00 55.69 52.93 3gyr s MET 620 Cb -0.15 -0.01 -0.12 0.00 -1.53 0.00 0.00 34.83 33.02 3gyr s MET 620 CO -0.03 -0.15 1.42 -2.30 -2.03 0.00 0.00 175.02 171.93 3gyr n PRO 621 N -0.10 2.34 -0.36 3.16 -0.02 -1.26 -0.55 135.00 138.20 3gyr n PRO 621 Ca -0.08 0.83 0.28 0.00 -2.02 0.00 0.00 63.50 62.50 3gyr n PRO 621 Cb 0.63 -2.50 0.56 0.00 -0.02 0.00 0.00 33.50 32.17 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 3.48 0.27 -0.29 0.52 0.11 -1.90 0.16 132.00 134.35 3gyr h PRO 622 Ca -0.47 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 3gyr h PRO 622 Cb 1.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3gyr h PRO 622 CO 0.69 0.18 -0.34 0.93 -0.21 0.00 0.00 178.00 179.25 3gyr h GLU 623 N 0.28 0.63 0.00 1.05 3.07 -1.99 -2.81 114.58 114.81 3gyr h GLU 623 Ca 0.67 -0.30 -0.13 0.00 -0.50 0.00 0.00 59.36 59.10 3gyr h GLU 623 Cb 1.89 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.77 3gyr h GLU 623 CO -0.33 0.89 -0.62 0.00 -1.40 0.00 0.00 179.01 177.55 3gyr h ALA 624 N 1.09 0.97 -0.52 3.43 0.00 -1.34 -3.15 119.26 119.73 3gyr h ALA 624 Ca 0.06 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 54.47 3gyr h ALA 624 Cb 0.85 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3gyr h ALA 624 CO 0.07 0.77 0.35 1.25 0.00 0.00 0.00 179.25 181.69 3gyr h LEU 625 N 0.00 0.38 -2.22 0.00 5.85 -1.11 -1.22 115.31 116.98 3gyr h LEU 625 Ca -0.01 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3gyr h LEU 625 Cb 1.10 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3gyr h LEU 625 CO 0.08 0.24 0.25 0.11 -0.34 0.00 0.00 178.44 178.79 3gyr h LYS 626 N 0.43 0.00 -0.25 1.25 1.79 -1.53 -1.45 116.57 116.80 3gyr h LYS 626 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 3gyr h LYS 626 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3gyr h LYS 626 CO -0.06 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.50 3gyr n PHE 627 N -3.47 0.31 0.00 -1.35 3.72 -0.46 -5.18 117.46 111.04 3gyr n PHE 627 Ca 0.01 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3gyr n PHE 627 Cb 0.36 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 3gyr n PHE 627 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24