#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4x s SER 2 N 0.00 3.90 -0.47 1.61 0.01 -1.26 -5.04 113.70 112.44 1x4x s SER 2 Ca 0.00 -0.52 -0.43 0.00 1.31 0.00 0.00 55.95 56.31 1x4x s SER 2 Cb 0.00 -0.57 -0.18 0.00 0.21 0.00 0.00 66.02 65.47 1x4x s SER 2 CO 0.00 0.19 1.70 -1.54 0.41 0.00 0.00 173.24 174.01 1x4x n SER 3 N 0.94 0.96 -4.84 2.44 3.41 -1.26 -4.88 113.62 110.38 1x4x n SER 3 Ca -0.16 0.92 -0.33 0.00 -0.26 0.00 0.00 58.87 59.05 1x4x n SER 3 Cb 0.53 -0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 63.58 1x4x n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4x s GLY 4 N 3.95 2.38 0.11 5.00 0.00 -1.26 -5.00 107.32 112.49 1x4x s GLY 4 Ca 1.04 0.05 -0.30 0.00 0.00 0.00 0.00 44.72 45.51 1x4x s GLY 4 CO 0.71 0.27 1.49 1.76 0.00 0.00 0.00 173.10 177.33 1x4x h SER 5 N 2.45 -1.56 -3.48 1.64 0.02 -1.99 -3.37 113.55 107.26 1x4x h SER 5 Ca -0.48 0.19 -0.61 0.00 -0.84 0.00 0.00 61.79 60.05 1x4x h SER 5 Cb 1.18 0.61 -0.11 0.00 0.14 0.00 0.00 62.40 64.22 1x4x h SER 5 CO 0.65 -0.42 0.41 -0.55 -1.14 0.00 0.00 176.83 175.78 1x4x s SER 6 N -4.63 6.62 0.00 3.07 0.15 -1.26 -4.97 113.70 112.68 1x4x s SER 6 Ca -0.14 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1x4x s SER 6 Cb 0.07 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1x4x s SER 6 CO 0.54 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1x4x n GLY 7 N 4.35 1.07 3.64 9.45 0.00 -1.26 -4.60 105.19 117.83 1x4x n GLY 7 Ca 0.04 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 1x4x n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4x s PRO 8 N -2.00 -0.34 0.55 1.61 0.04 -1.26 -4.79 135.00 128.81 1x4x s PRO 8 Ca 0.00 0.25 -0.11 0.00 0.04 0.00 0.00 61.00 61.18 1x4x s PRO 8 Cb 0.00 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 32.82 1x4x s PRO 8 CO 0.00 -3.19 0.96 0.16 0.04 0.00 0.00 177.00 174.97 1x4x s ASP 9 N -3.64 6.36 0.46 6.66 -4.77 -1.26 -4.86 116.67 115.62 1x4x s ASP 9 Ca 0.68 1.36 -0.21 0.00 -3.30 0.00 0.00 52.55 51.07 1x4x s ASP 9 Cb -0.15 -2.43 -0.12 0.00 -1.09 0.00 0.00 42.92 39.13 1x4x s ASP 9 CO 0.57 -0.71 0.49 1.67 0.70 0.00 0.00 175.17 177.89 1x4x n GLN 10 N -2.24 0.51 -2.31 2.11 7.27 -1.26 -4.81 117.38 116.65 1x4x n GLN 10 Ca 0.05 0.19 -0.26 0.00 0.07 0.00 0.00 57.00 57.05 1x4x n GLN 10 Cb 0.54 -1.50 0.12 0.00 2.41 0.00 0.00 30.24 31.81 1x4x n GLN 10 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x4x s LYS 12 N -5.37 2.51 0.12 0.00 -0.14 -1.26 -4.49 119.74 111.11 1x4x s LYS 12 Ca 0.67 -0.98 -0.31 0.00 -1.36 0.00 0.00 55.97 53.98 1x4x s LYS 12 Cb -0.06 -2.46 -0.08 0.00 -1.68 0.00 0.00 37.83 33.55 1x4x s LYS 12 CO 0.47 0.49 1.36 -1.25 -0.76 0.00 0.00 175.35 175.65 1x4x s PRO 13 N -2.74 4.34 0.74 -1.68 0.04 -1.26 -4.69 135.00 129.74 1x4x s PRO 13 Ca 0.27 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.23 1x4x s PRO 13 Cb -0.10 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 31.23 1x4x s PRO 13 CO 0.19 -0.40 1.10 -1.25 0.04 0.00 0.00 177.00 176.68 1x4x s PRO 14 N 0.97 2.41 -0.34 0.56 0.04 -1.26 -4.93 135.00 132.45 1x4x s PRO 14 Ca 0.63 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1x4x s PRO 14 Cb -0.36 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1x4x s PRO 14 CO 0.31 -1.53 0.23 -1.14 0.04 0.00 0.00 177.00 174.90 1x4x s GLN 15 N -4.68 3.44 0.03 4.56 0.74 0.65 -4.84 119.66 119.56 1x4x s GLN 15 Ca 0.63 -0.68 -0.25 0.00 0.05 0.00 0.00 55.36 55.11 1x4x s GLN 15 Cb -0.18 -3.78 -0.05 0.00 1.10 0.00 0.00 33.01 30.10 1x4x s GLN 15 CO 0.52 -0.46 0.75 0.14 -0.55 0.00 0.00 175.29 175.69 1x4x s VAL 16 N 1.70 4.78 -0.30 1.34 -7.23 -1.26 -2.58 120.40 116.85 1x4x s VAL 16 Ca 0.06 1.59 0.02 0.00 -1.81 0.00 0.00 61.98 61.84 1x4x s VAL 16 Cb -0.17 -4.10 0.09 0.00 0.56 0.00 0.00 36.38 32.75 1x4x s VAL 16 CO 0.10 0.35 0.02 -0.89 -0.31 0.00 0.00 175.10 174.37 1x4x s THR 17 N 0.05 1.72 -0.30 5.32 2.01 0.58 -4.97 115.64 120.05 1x4x s THR 17 Ca 0.38 -1.77 -0.28 0.00 0.31 0.00 0.00 61.69 60.34 1x4x s THR 17 Cb -0.20 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1x4x s THR 17 CO 0.22 -0.45 2.19 0.00 -0.69 0.00 0.00 174.62 175.89 1x4x h ARG 19 N 15.67 0.09 -2.47 0.00 2.47 -1.78 -3.49 114.38 124.87 1x4x h ARG 19 Ca -0.36 -0.16 0.20 0.00 -1.26 0.00 0.00 59.98 58.40 1x4x h ARG 19 Cb 1.23 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.57 1x4x h ARG 19 CO 1.02 0.91 0.66 0.45 0.56 0.00 0.00 179.97 183.57 1x4x s SER 20 N -6.65 0.01 0.30 7.04 0.15 -0.90 -4.91 113.70 108.75 1x4x s SER 20 Ca -0.04 -0.59 0.03 0.00 0.70 0.00 0.00 55.95 56.05 1x4x s SER 20 Cb 0.08 0.43 0.62 0.00 -1.71 0.00 0.00 66.02 65.44 1x4x s SER 20 CO 0.83 -0.85 1.85 0.00 1.20 0.00 0.00 173.24 176.27 1x4x h ALA 21 N 2.00 1.60 -0.10 5.45 0.00 -1.95 -2.33 119.26 123.93 1x4x h ALA 21 Ca -0.26 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1x4x h ALA 21 Cb 1.21 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1x4x h ALA 21 CO 0.35 0.16 -0.56 0.25 0.00 0.00 0.00 179.25 179.45 1x4x n THR 22 N -4.59 2.18 -3.90 0.00 -2.24 -1.26 -3.43 114.28 101.03 1x4x n THR 22 Ca 0.18 -3.31 -0.11 0.00 -2.27 0.00 0.00 64.05 58.55 1x4x n THR 22 Cb 0.37 -0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.17 1x4x n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4x s ALA 24 N -0.63 -1.50 0.02 0.00 0.00 -0.56 -2.11 121.76 116.98 1x4x s ALA 24 Ca -0.07 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.63 1x4x s ALA 24 Cb -0.04 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 1x4x s ALA 24 CO -0.00 -0.56 -0.08 -1.14 0.00 0.00 0.00 175.76 173.98 1x4x s GLN 25 N -2.59 0.56 0.23 0.00 0.74 -0.83 -0.35 119.66 117.42 1x4x s GLN 25 Ca -0.04 -0.50 0.11 0.00 0.05 0.00 0.00 55.36 54.98 1x4x s GLN 25 Cb -0.01 -0.46 -0.05 0.00 1.10 0.00 0.00 33.01 33.59 1x4x s GLN 25 CO -0.03 0.11 -0.18 0.08 -0.55 0.00 0.00 175.29 174.73 1x4x s VAL 26 N -0.71 2.65 -0.21 1.34 1.01 -0.33 -0.31 120.40 123.85 1x4x s VAL 26 Ca -0.02 -2.10 -0.06 0.00 0.00 0.00 0.00 61.98 59.80 1x4x s VAL 26 Cb -0.06 -2.34 0.10 0.00 0.00 0.00 0.00 36.38 34.08 1x4x s VAL 26 CO 0.00 -0.25 0.41 0.20 0.00 0.00 0.00 175.10 175.46 1x4x s ASN 27 N -3.11 -0.13 0.46 3.32 0.01 -1.07 -2.72 114.94 111.70 1x4x s ASN 27 Ca 0.26 0.79 0.01 0.00 -0.71 0.00 0.00 52.86 53.21 1x4x s ASN 27 Cb -0.07 1.28 0.01 0.00 0.41 0.00 0.00 41.25 42.88 1x4x s ASN 27 CO 0.14 -0.25 0.06 -2.67 -1.51 0.00 0.00 177.10 172.86 1x4x n TRP 28 N 5.38 0.77 -3.87 2.20 2.14 -0.87 -0.25 117.44 122.94 1x4x n TRP 28 Ca -0.07 -2.19 -0.09 0.00 2.07 0.00 0.00 57.50 57.21 1x4x n TRP 28 Cb 0.50 -0.31 -0.07 0.00 -0.81 0.00 0.00 31.31 30.62 1x4x n TRP 28 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 1x4x s GLU 29 N -3.68 1.03 -0.03 -2.67 -1.05 -1.26 -4.81 118.70 106.23 1x4x s GLU 29 Ca 0.04 -1.01 -0.19 0.00 -0.15 0.00 0.00 54.97 53.66 1x4x s GLU 29 Cb -0.00 0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 1x4x s GLU 29 CO 0.03 -0.37 0.53 0.08 0.95 0.00 0.00 175.26 176.48 1x4x s VAL 30 N -3.90 4.99 0.00 1.83 1.01 -1.26 -4.53 120.40 118.54 1x4x s VAL 30 Ca 0.10 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1x4x s VAL 30 Cb 0.04 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1x4x s VAL 30 CO -0.06 0.43 0.00 -0.81 0.00 0.00 0.00 175.10 174.66 1x4x n PRO 31 N 2.76 0.23 -3.19 2.72 -0.04 -1.26 -4.94 135.00 131.28 1x4x n PRO 31 Ca -0.08 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.92 1x4x n PRO 31 Cb 0.51 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.96 1x4x n PRO 31 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1x4x s LEU 32 N 0.00 6.09 -0.45 1.53 2.96 -1.26 -5.00 118.68 122.55 1x4x s LEU 32 Ca 0.00 -2.70 -0.28 0.00 -0.22 0.00 0.00 54.13 50.94 1x4x s LEU 32 Cb 0.00 -2.28 -0.08 0.00 0.50 0.00 0.00 46.19 44.33 1x4x s LEU 32 CO 0.00 -0.67 2.37 -1.54 -1.32 0.00 0.00 176.35 175.19 1x4x n SER 33 N 4.60 2.40 -2.28 3.68 3.41 -1.26 -4.41 113.62 119.76 1x4x n SER 33 Ca 0.20 -0.22 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 1x4x n SER 33 Cb 0.46 -1.51 0.10 0.00 -0.26 0.00 0.00 64.21 63.00 1x4x n SER 33 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1x4x n ASN 34 N 14.08 6.78 0.00 4.04 3.02 -1.26 -4.63 115.26 137.29 1x4x n ASN 34 Ca 0.38 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 51.22 1x4x n ASN 34 Cb 0.46 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1x4x n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x4x n GLY 35 N -0.91 0.95 3.02 7.41 0.00 -1.26 -5.04 105.19 109.36 1x4x n GLY 35 Ca 0.61 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 46.35 1x4x n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x4x s THR 36 N 0.00 1.06 0.02 2.61 -4.23 -1.26 -5.07 115.64 108.77 1x4x s THR 36 Ca 0.00 -0.46 -0.21 0.00 -1.18 0.00 0.00 61.69 59.84 1x4x s THR 36 Cb 0.00 -0.96 -0.06 0.00 1.34 0.00 0.00 72.50 72.82 1x4x s THR 36 CO 0.00 0.33 0.63 -1.81 -0.54 0.00 0.00 174.62 173.24 1x4x s ASP 37 N 0.52 7.04 0.20 3.99 1.01 -1.26 -4.49 116.67 123.69 1x4x s ASP 37 Ca -0.11 1.24 -0.33 0.00 0.71 0.00 0.00 52.55 54.07 1x4x s ASP 37 Cb -0.14 -2.39 -0.13 0.00 1.01 0.00 0.00 42.92 41.27 1x4x s ASP 37 CO 0.03 0.10 1.63 0.52 0.21 0.00 0.00 175.17 177.66 1x4x n VAL 38 N 2.62 0.18 -0.04 -1.27 0.31 -1.26 -4.71 118.33 114.16 1x4x n VAL 38 Ca -0.06 -0.04 -0.01 0.00 -0.01 0.00 0.00 64.34 64.21 1x4x n VAL 38 Cb 0.51 -1.76 -0.09 0.00 -0.91 0.00 0.00 33.84 31.59 1x4x n VAL 38 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1x4x n THR 39 N 3.40 0.47 -4.20 2.52 -2.24 0.49 -4.97 114.28 109.75 1x4x n THR 39 Ca 0.15 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 1x4x n THR 39 Cb 0.32 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.12 1x4x n THR 39 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x4x s GLU 40 N -2.51 1.18 -0.17 -0.78 8.01 -1.23 -4.62 118.70 118.57 1x4x s GLU 40 Ca -0.05 -1.62 -0.04 0.00 0.01 0.00 0.00 54.97 53.27 1x4x s GLU 40 Cb 0.05 0.25 0.09 0.00 -4.31 0.00 0.00 34.13 30.21 1x4x s GLU 40 CO 0.48 -0.37 0.28 0.71 0.01 0.00 0.00 175.26 176.37 1x4x s TYR 41 N -4.14 -0.47 -0.38 1.61 1.51 -1.19 -2.06 117.35 112.23 1x4x s TYR 41 Ca 0.38 0.76 -0.14 0.00 -1.01 0.00 0.00 57.07 57.05 1x4x s TYR 41 Cb 0.07 -0.10 0.01 0.00 -0.11 0.00 0.00 41.96 41.82 1x4x s TYR 41 CO 0.11 -0.50 0.29 1.03 -1.11 0.00 0.00 175.55 175.37 1x4x s ARG 42 N 2.43 3.20 -0.25 -0.62 0.52 -1.09 -3.27 118.95 119.86 1x4x s ARG 42 Ca 0.05 -0.84 -0.07 0.00 -0.52 0.00 0.00 55.73 54.35 1x4x s ARG 42 Cb -0.14 -3.91 -0.02 0.00 0.52 0.00 0.00 34.95 31.40 1x4x s ARG 42 CO -0.11 -0.64 0.06 -1.17 0.02 0.00 0.00 175.30 173.46 1x4x s LEU 43 N 1.74 3.43 0.08 2.53 2.96 -0.80 -2.45 118.68 126.17 1x4x s LEU 43 Ca 0.06 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1x4x s LEU 43 Cb -0.18 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1x4x s LEU 43 CO 0.10 -0.05 0.23 -1.61 -1.32 0.00 0.00 176.35 173.70 1x4x s GLU 44 N 1.59 3.44 -0.17 1.98 2.02 -0.95 0.10 118.70 126.70 1x4x s GLU 44 Ca 0.06 -0.48 -0.05 0.00 0.02 0.00 0.00 54.97 54.52 1x4x s GLU 44 Cb -0.15 -3.02 0.08 0.00 0.10 0.00 0.00 34.13 31.14 1x4x s GLU 44 CO 0.03 0.59 0.32 -0.46 0.02 0.00 0.00 175.26 175.76 1x4x s TRP 45 N -1.56 -0.58 -0.14 1.61 -0.11 -0.45 -2.89 118.94 114.82 1x4x s TRP 45 Ca 0.35 1.04 -0.12 0.00 1.22 0.00 0.00 56.10 58.59 1x4x s TRP 45 Cb -0.13 0.04 0.04 0.00 -1.50 0.00 0.00 33.47 31.92 1x4x s TRP 45 CO 0.28 -0.47 0.36 0.20 -4.62 0.00 0.00 176.95 172.70 1x4x s GLY 46 N 2.49 -0.27 0.25 5.86 0.00 -1.08 -4.16 107.32 110.41 1x4x s GLY 46 Ca 0.03 1.07 -0.07 0.00 0.00 0.00 0.00 44.72 45.75 1x4x s GLY 46 CO -0.11 0.98 1.40 0.61 0.00 0.00 0.00 173.10 175.98 1x4x n GLY 47 N 3.09 -1.50 3.33 0.20 0.00 -1.26 -2.83 105.19 106.22 1x4x n GLY 47 Ca -0.15 0.96 -0.35 0.00 0.00 0.00 0.00 46.02 46.48 1x4x n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x4x s VAL 48 N -6.13 3.40 0.49 1.61 1.01 -1.26 -3.54 120.40 115.98 1x4x s VAL 48 Ca -0.13 -0.49 0.33 0.00 0.00 0.00 0.00 61.98 61.68 1x4x s VAL 48 Cb 0.24 -2.54 0.53 0.00 0.00 0.00 0.00 36.38 34.61 1x4x s VAL 48 CO 0.70 0.43 1.73 1.05 0.00 0.00 0.00 175.10 179.01 1x4x h GLU 49 N 7.93 0.11 -0.83 2.72 4.11 -1.91 0.41 114.58 127.12 1x4x h GLU 49 Ca -0.40 -0.01 0.13 0.00 0.07 0.00 0.00 59.36 59.15 1x4x h GLU 49 Cb 1.17 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 1x4x h GLU 49 CO 0.60 0.07 0.54 0.78 0.07 0.00 0.00 179.01 181.08 1x4x h GLY 50 N 0.11 1.06 -7.27 1.06 0.00 -1.93 -3.37 103.07 92.73 1x4x h GLY 50 Ca 0.68 -0.28 -0.54 0.00 0.00 0.00 0.00 47.33 47.19 1x4x h GLY 50 CO -0.16 0.11 -0.77 -0.45 0.00 0.00 0.00 176.54 175.28 1x4x s SER 51 N -5.89 3.22 0.03 0.19 0.15 0.14 -5.12 113.70 106.41 1x4x s SER 51 Ca -0.10 -1.01 -0.02 0.00 0.70 0.00 0.00 55.95 55.53 1x4x s SER 51 Cb 0.21 -0.69 -0.02 0.00 -1.71 0.00 0.00 66.02 63.81 1x4x s SER 51 CO 0.78 -0.32 0.00 -0.04 1.20 0.00 0.00 173.24 174.86 1x4x s MET 52 N 1.78 0.41 0.31 5.44 -1.94 -1.26 -4.31 119.30 119.73 1x4x s MET 52 Ca 0.01 -0.70 0.04 0.00 -1.71 0.00 0.00 55.69 53.32 1x4x s MET 52 Cb -0.17 0.15 -0.06 0.00 2.01 0.00 0.00 34.83 36.76 1x4x s MET 52 CO -0.12 -0.08 0.04 1.14 -0.01 0.00 0.00 175.02 175.99 1x4x s GLN 53 N -1.98 1.59 -0.20 2.03 0.00 -1.26 -4.89 119.66 114.94 1x4x s GLN 53 Ca -0.11 -1.86 -0.28 0.00 -0.00 0.00 0.00 55.36 53.10 1x4x s GLN 53 Cb -0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 33.01 32.05 1x4x s GLN 53 CO -0.03 -0.15 2.04 0.42 0.00 0.00 0.00 175.29 177.57 1x4x s ILE 54 N -3.29 3.18 -0.14 3.63 -1.09 -1.26 -1.34 121.20 120.88 1x4x s ILE 54 Ca 0.35 0.19 -0.14 0.00 -2.23 0.00 0.00 60.65 58.81 1x4x s ILE 54 Cb 0.08 -3.21 -0.24 0.00 -1.58 0.00 0.00 42.46 37.50 1x4x s ILE 54 CO 0.14 -0.12 0.39 0.00 -1.23 0.00 0.00 174.94 174.12 1x4x s TYR 56 N -2.47 0.29 0.06 0.00 6.14 -0.94 -5.05 117.35 115.39 1x4x s TYR 56 Ca -0.23 -0.33 0.01 0.00 0.64 0.00 0.00 57.07 57.16 1x4x s TYR 56 Cb 0.06 -0.19 -0.03 0.00 0.42 0.00 0.00 41.96 42.21 1x4x s TYR 56 CO 0.71 -0.10 -0.06 0.00 0.64 0.00 0.00 175.55 176.75 1x4x n GLY 58 N 0.66 2.71 0.04 0.00 0.00 -1.20 -4.84 105.19 102.55 1x4x n GLY 58 Ca -0.17 -1.93 0.08 0.00 0.00 0.00 0.00 46.02 44.00 1x4x n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4x n PRO 59 N -1.57 0.06 -0.87 1.61 -0.04 -1.26 -3.17 135.00 129.76 1x4x n PRO 59 Ca 0.00 0.31 -0.34 0.00 -0.04 0.00 0.00 63.50 63.42 1x4x n PRO 59 Cb 0.00 -1.61 0.09 0.00 -0.04 0.00 0.00 33.50 31.94 1x4x n PRO 59 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x4x n GLY 60 N -0.04 -3.07 0.00 0.55 0.00 -1.26 -4.94 105.19 96.43 1x4x n GLY 60 Ca 0.03 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.33 1x4x n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4x n LEU 61 N 0.68 0.02 -3.84 0.99 4.77 -1.26 -4.91 117.00 113.45 1x4x n LEU 61 Ca 0.02 -0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 55.71 1x4x n LEU 61 Cb 0.57 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.51 1x4x n LEU 61 CO 0.51 0.00 -0.36 -0.44 -1.33 0.00 0.00 177.39 175.77 1x4x s SER 62 N -1.83 0.16 0.08 -1.43 0.01 -1.26 -2.06 113.70 107.37 1x4x s SER 62 Ca -0.00 -0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.31 1x4x s SER 62 Cb 0.01 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 1x4x s SER 62 CO 0.05 -0.05 -0.15 -0.47 0.41 0.00 0.00 173.24 173.03 1x4x s TYR 63 N 0.50 1.27 -0.29 2.43 5.04 -1.10 -5.03 117.35 120.17 1x4x s TYR 63 Ca -0.04 -0.47 -0.01 0.00 -2.44 0.00 0.00 57.07 54.11 1x4x s TYR 63 Cb -0.07 -0.71 0.05 0.00 0.35 0.00 0.00 41.96 41.58 1x4x s TYR 63 CO -0.01 0.07 -0.02 -2.00 -1.34 0.00 0.00 175.55 172.25 1x4x s GLU 64 N -1.83 2.48 0.15 4.97 2.12 -1.26 -1.18 118.70 124.15 1x4x s GLU 64 Ca -0.01 -1.22 -0.09 0.00 0.36 0.00 0.00 54.97 54.01 1x4x s GLU 64 Cb -0.10 -3.11 -0.06 0.00 0.26 0.00 0.00 34.13 31.12 1x4x s GLU 64 CO 0.02 -0.57 0.46 0.42 -0.54 0.00 0.00 175.26 175.05 1x4x s ILE 65 N 1.25 5.03 0.30 -3.70 1.01 0.53 -4.99 121.20 120.63 1x4x s ILE 65 Ca -0.05 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 1x4x s ILE 65 Cb -0.19 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1x4x s ILE 65 CO -0.02 0.11 0.36 -0.54 0.00 0.00 0.00 174.94 174.84 1x4x s LYS 66 N -2.38 1.70 -0.66 2.79 1.02 -1.26 -1.49 119.74 119.46 1x4x s LYS 66 Ca 0.40 -1.76 -0.02 0.00 0.02 0.00 0.00 55.97 54.62 1x4x s LYS 66 Cb -0.13 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 1x4x s LYS 66 CO 0.21 -0.66 0.56 0.41 -0.92 0.00 0.00 175.35 174.94 1x4x n GLY 67 N -0.51 0.08 3.96 -3.33 0.00 -0.65 -4.97 105.19 99.77 1x4x n GLY 67 Ca 0.03 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1x4x n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4x s LEU 68 N -4.27 2.94 0.02 0.99 1.43 -0.99 -5.04 118.68 113.76 1x4x s LEU 68 Ca 0.12 -1.02 0.06 0.00 -1.03 0.00 0.00 54.13 52.25 1x4x s LEU 68 Cb -0.05 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1x4x s LEU 68 CO 0.38 -1.17 -0.16 -0.44 0.23 0.00 0.00 176.35 175.19 1x4x s SER 69 N -4.44 3.95 0.68 2.29 0.01 -1.26 -4.33 113.70 110.60 1x4x s SER 69 Ca 0.47 -0.35 -0.14 0.00 1.31 0.00 0.00 55.95 57.24 1x4x s SER 69 Cb -0.04 -0.71 0.01 0.00 0.21 0.00 0.00 66.02 65.49 1x4x s SER 69 CO 0.29 0.27 1.11 -2.16 0.41 0.00 0.00 173.24 173.16 1x4x s PRO 70 N -1.33 2.70 -1.34 12.44 0.04 -1.22 -3.82 135.00 142.45 1x4x s PRO 70 Ca 0.15 1.35 -0.09 0.00 0.04 0.00 0.00 61.00 62.45 1x4x s PRO 70 Cb -0.11 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1x4x s PRO 70 CO 0.05 -1.33 0.48 0.00 0.04 0.00 0.00 177.00 176.24 1x4x n ALA 71 N -2.62 -2.20 -3.50 8.56 0.00 -0.80 -4.88 120.51 115.07 1x4x n ALA 71 Ca 0.10 -0.32 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 1x4x n ALA 71 Cb 0.52 -2.11 -0.16 0.00 0.00 0.00 0.00 19.45 17.71 1x4x n ALA 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x4x s THR 72 N -3.86 0.15 0.13 0.00 2.01 -1.25 -4.95 115.64 107.88 1x4x s THR 72 Ca 0.16 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 1x4x s THR 72 Cb -0.07 -0.22 -0.06 0.00 0.01 0.00 0.00 72.50 72.15 1x4x s THR 72 CO 0.91 0.11 1.02 -0.89 -0.69 0.00 0.00 174.62 175.08 1x4x s THR 73 N 0.75 4.25 0.14 -0.82 2.01 -1.26 -2.49 115.64 118.23 1x4x s THR 73 Ca -0.07 1.88 0.02 0.00 0.31 0.00 0.00 61.69 63.83 1x4x s THR 73 Cb -0.10 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 1x4x s THR 73 CO -0.01 0.29 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.86 1x4x s TYR 74 N -0.03 1.10 0.01 4.92 2.02 0.12 -4.42 117.35 121.07 1x4x s TYR 74 Ca 0.48 -0.93 -0.08 0.00 -0.37 0.00 0.00 57.07 56.17 1x4x s TYR 74 Cb -0.26 -0.62 0.00 0.00 -0.40 0.00 0.00 41.96 40.69 1x4x s TYR 74 CO 0.32 -0.13 0.16 0.71 -1.57 0.00 0.00 175.55 175.03 1x4x s TYR 75 N -3.58 0.03 0.01 2.71 1.51 -1.13 -0.25 117.35 116.64 1x4x s TYR 75 Ca 0.18 -0.12 -0.11 0.00 -1.01 0.00 0.00 57.07 56.02 1x4x s TYR 75 Cb 0.05 -0.04 0.01 0.00 -0.11 0.00 0.00 41.96 41.88 1x4x s TYR 75 CO 0.00 -0.31 0.21 0.00 -1.11 0.00 0.00 175.55 174.34 1x4x s ARG 77 N -1.64 0.23 -0.14 0.00 1.70 -1.14 -2.60 118.95 115.35 1x4x s ARG 77 Ca -0.12 0.51 -0.03 0.00 -0.47 0.00 0.00 55.73 55.61 1x4x s ARG 77 Cb -0.05 -0.07 -0.03 0.00 -0.57 0.00 0.00 34.95 34.22 1x4x s ARG 77 CO 0.01 -0.14 -0.03 0.54 -1.08 0.00 0.00 175.30 174.60 1x4x s VAL 78 N 1.08 3.97 0.16 4.99 0.11 -1.26 -2.23 120.40 127.22 1x4x s VAL 78 Ca -0.08 -0.34 0.11 0.00 -2.93 0.00 0.00 61.98 58.74 1x4x s VAL 78 Cb -0.09 -2.73 -0.04 0.00 -1.53 0.00 0.00 36.38 31.99 1x4x s VAL 78 CO -0.07 0.51 -0.24 -1.58 -3.33 0.00 0.00 175.10 170.39 1x4x s GLN 79 N 0.13 1.41 -0.13 1.54 0.74 -1.03 -2.54 119.66 119.79 1x4x s GLN 79 Ca -0.01 -1.41 -0.04 0.00 0.05 0.00 0.00 55.36 53.95 1x4x s GLN 79 Cb -0.14 -1.77 -0.04 0.00 1.10 0.00 0.00 33.01 32.17 1x4x s GLN 79 CO 0.03 0.40 0.03 0.00 -0.55 0.00 0.00 175.29 175.19 1x4x s ALA 80 N -1.42 3.34 0.13 1.58 0.00 -1.26 -2.68 121.76 121.44 1x4x s ALA 80 Ca 0.16 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.42 1x4x s ALA 80 Cb -0.09 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1x4x s ALA 80 CO 0.07 0.40 -0.05 -0.51 0.00 0.00 0.00 175.76 175.67 1x4x s LEU 81 N -0.29 3.19 0.00 0.00 1.02 -0.87 -0.60 118.68 121.12 1x4x s LEU 81 Ca 0.07 -0.37 0.04 0.00 0.02 0.00 0.00 54.13 53.90 1x4x s LEU 81 Cb -0.12 -1.93 -0.02 0.00 0.02 0.00 0.00 46.19 44.15 1x4x s LEU 81 CO 0.02 0.15 0.16 -1.54 0.02 0.00 0.00 176.35 175.15 1x4x n SER 82 N 0.39 0.74 -0.52 2.29 3.41 -1.22 -0.38 113.62 118.33 1x4x n SER 82 Ca -0.12 -2.89 0.12 0.00 -0.26 0.00 0.00 58.87 55.73 1x4x n SER 82 Cb 0.53 1.03 0.45 0.00 -0.26 0.00 0.00 64.21 65.97 1x4x n SER 82 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1x4x n VAL 83 N -0.73 0.10 0.08 -3.33 0.24 -1.26 -3.74 118.33 109.68 1x4x n VAL 83 Ca -0.02 -0.30 0.05 0.00 -2.04 0.00 0.00 64.34 62.03 1x4x n VAL 83 Cb 0.53 0.46 -0.08 0.00 -1.47 0.00 0.00 33.84 33.28 1x4x n VAL 83 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1x4x n VAL 84 N 0.26 0.00 0.00 3.34 3.14 -1.26 -5.09 118.33 118.72 1x4x n VAL 84 Ca 0.18 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1x4x n VAL 84 Cb 0.35 0.40 0.00 0.00 -1.06 0.00 0.00 33.84 33.52 1x4x n VAL 84 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x4x n GLY 85 N 1.80 -0.18 3.60 7.55 0.00 -1.24 -5.00 105.19 111.71 1x4x n GLY 85 Ca -0.01 0.48 -0.03 0.00 0.00 0.00 0.00 46.02 46.46 1x4x n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4x s ALA 86 N -1.00 -2.17 0.68 4.61 0.00 -1.26 -3.45 121.76 119.16 1x4x s ALA 86 Ca 0.00 2.28 -0.11 0.00 0.00 0.00 0.00 51.96 54.13 1x4x s ALA 86 Cb 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 1x4x s ALA 86 CO 0.00 -0.57 1.06 0.20 0.00 0.00 0.00 175.76 176.45 1x4x s GLY 87 N 1.93 1.65 0.91 0.00 0.00 0.23 -4.53 107.32 107.50 1x4x s GLY 87 Ca -0.08 -0.12 -0.12 0.00 0.00 0.00 0.00 44.72 44.41 1x4x s GLY 87 CO -0.18 0.20 1.09 2.56 0.00 0.00 0.00 173.10 176.77 1x4x s PRO 88 N -5.19 1.16 0.49 2.90 0.04 -1.26 -4.35 135.00 128.80 1x4x s PRO 88 Ca 0.57 0.78 -0.08 0.00 0.04 0.00 0.00 61.00 62.31 1x4x s PRO 88 Cb -0.12 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1x4x s PRO 88 CO 0.54 -2.29 0.83 -0.06 0.04 0.00 0.00 177.00 176.05 1x4x s PHE 89 N -2.94 3.55 1.05 0.56 0.40 -1.26 -4.24 117.98 115.09 1x4x s PHE 89 Ca 0.64 0.98 -0.17 0.00 -0.60 0.00 0.00 56.93 57.77 1x4x s PHE 89 Cb -0.18 -2.43 0.24 0.00 0.51 0.00 0.00 43.02 41.16 1x4x s PHE 89 CO 0.57 -0.31 1.29 -1.54 0.70 0.00 0.00 175.22 175.93 1x4x s SER 90 N -3.83 2.36 -0.14 1.36 1.04 -1.05 -4.67 113.70 108.76 1x4x s SER 90 Ca 0.50 0.29 -0.29 0.00 0.48 0.00 0.00 55.95 56.92 1x4x s SER 90 Cb -0.10 -0.32 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 1x4x s SER 90 CO 0.42 -3.20 1.61 -1.61 0.98 0.00 0.00 173.24 171.44 1x4x s GLU 91 N -5.82 4.00 0.23 4.02 2.02 -1.26 -4.82 118.70 117.06 1x4x s GLU 91 Ca 0.75 1.90 -0.28 0.00 0.02 0.00 0.00 54.97 57.36 1x4x s GLU 91 Cb -0.04 -3.99 -0.16 0.00 0.10 0.00 0.00 34.13 30.03 1x4x s GLU 91 CO 0.54 -1.05 0.59 0.28 0.02 0.00 0.00 175.26 175.63 1x4x n VAL 92 N 5.92 1.94 -4.06 2.63 0.31 -1.26 -4.57 118.33 119.23 1x4x n VAL 92 Ca 0.18 -0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 63.69 1x4x n VAL 92 Cb 0.44 -0.19 -0.15 0.00 -0.91 0.00 0.00 33.84 33.03 1x4x n VAL 92 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1x4x s VAL 93 N -1.05 2.07 0.34 2.52 1.01 -1.07 -4.99 120.40 119.23 1x4x s VAL 93 Ca 0.63 -1.48 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 1x4x s VAL 93 Cb -0.87 -2.16 -0.10 0.00 0.00 0.00 0.00 36.38 33.26 1x4x s VAL 93 CO 0.57 0.05 0.86 0.00 0.00 0.00 0.00 175.10 176.58 1x4x s ALA 94 N 1.16 3.22 -0.20 5.51 0.00 -1.26 -2.80 121.76 127.39 1x4x s ALA 94 Ca -0.07 0.32 -0.10 0.00 0.00 0.00 0.00 51.96 52.11 1x4x s ALA 94 Cb -0.19 -3.02 0.07 0.00 0.00 0.00 0.00 23.12 19.98 1x4x s ALA 94 CO -0.06 0.22 0.47 0.00 0.00 0.00 0.00 175.76 176.39 1x4x s VAL 96 N 1.65 3.60 0.58 0.00 1.01 -1.26 0.16 120.40 126.13 1x4x s VAL 96 Ca -0.09 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 1x4x s VAL 96 Cb -0.08 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1x4x s VAL 96 CO -0.14 0.28 1.14 0.42 0.00 0.00 0.00 175.10 176.80 1x4x s THR 97 N 1.48 3.07 0.51 3.92 -4.23 -1.04 -4.90 115.64 114.45 1x4x s THR 97 Ca 0.04 0.63 -0.21 0.00 -1.18 0.00 0.00 61.69 60.97 1x4x s THR 97 Cb -0.16 -3.22 -0.07 0.00 1.34 0.00 0.00 72.50 70.40 1x4x s THR 97 CO -0.01 -0.18 1.14 -2.16 -0.54 0.00 0.00 174.62 172.88 1x4x s PRO 98 N -3.46 3.54 0.25 3.99 0.04 -1.26 -1.91 135.00 136.18 1x4x s PRO 98 Ca 0.72 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 1x4x s PRO 98 Cb -0.24 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.02 1x4x s PRO 98 CO 0.31 -0.71 1.27 -1.25 0.04 0.00 0.00 177.00 176.65 1x4x s PRO 99 N -3.02 4.43 -0.38 0.56 0.04 -1.26 -2.85 135.00 132.51 1x4x s PRO 99 Ca 0.69 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.65 1x4x s PRO 99 Cb -0.26 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1x4x s PRO 99 CO 0.30 -0.15 0.25 0.45 0.04 0.00 0.00 177.00 177.90 1x4x s SER 100 N -0.13 5.97 -0.11 6.66 0.15 -1.26 -4.90 113.70 120.09 1x4x s SER 100 Ca 0.52 -0.76 0.14 0.00 0.70 0.00 0.00 55.95 56.56 1x4x s SER 100 Cb -0.37 -2.11 -0.21 0.00 -1.71 0.00 0.00 66.02 61.62 1x4x s SER 100 CO 0.43 -0.36 0.15 -1.54 1.20 0.00 0.00 173.24 173.13 1x4x n SER 101 N 5.10 1.26 0.00 5.45 3.41 -1.26 -5.08 113.62 122.50 1x4x n SER 101 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1x4x n SER 101 Cb 0.48 1.16 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 1x4x n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4x n GLY 102 N 1.90 0.59 3.55 5.00 0.00 -1.26 -4.91 105.19 110.06 1x4x n GLY 102 Ca -0.17 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 1x4x n GLY 102 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4x s PRO 103 N -2.00 2.61 -1.25 1.61 0.04 -1.26 -3.99 135.00 130.76 1x4x s PRO 103 Ca 0.00 0.37 -0.08 0.00 0.04 0.00 0.00 61.00 61.33 1x4x s PRO 103 Cb 0.00 -4.57 0.08 0.00 0.04 0.00 0.00 34.50 30.05 1x4x s PRO 103 CO 0.00 -2.90 0.20 0.45 0.04 0.00 0.00 177.00 174.79 1x4x n SER 104 N 13.08 -0.22 -4.98 6.66 2.88 -1.26 -4.88 113.62 124.89 1x4x n SER 104 Ca 0.26 -0.93 -0.20 0.00 -1.33 0.00 0.00 58.87 56.67 1x4x n SER 104 Cb 0.51 -1.17 0.02 0.00 -0.75 0.00 0.00 64.21 62.82 1x4x n SER 104 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4x s SER 105 N -3.39 5.57 0.00 -3.46 1.04 -1.26 -5.20 113.70 107.00 1x4x s SER 105 Ca 0.28 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1x4x s SER 105 Cb -0.16 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 65.01 1x4x s SER 105 CO 0.74 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.70