#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 5.44 0.29 1.61 0.01 -1.26 -5.11 113.70 114.68 1x4x s SER 2 Ca 0.00 0.12 0.11 0.00 1.31 0.00 0.00 55.95 57.48 1x4x s SER 2 Cb 0.00 -1.77 -0.05 0.00 0.21 0.00 0.00 66.02 64.41 1x4x s SER 2 CO 0.00 0.28 -0.10 -0.44 0.41 0.00 0.00 173.24 173.39 1x4x s SER 3 N -0.25 3.99 -0.32 2.44 0.01 -1.26 -5.08 113.70 113.23 1x4x s SER 3 Ca 0.07 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.42 1x4x s SER 3 Cb -0.12 -0.51 0.30 0.00 0.21 0.00 0.00 66.02 65.90 1x4x s SER 3 CO 0.02 -0.03 1.34 0.61 0.41 0.00 0.00 173.24 175.58 1x4x n GLY 4 N -0.77 -1.69 3.19 3.44 0.00 -1.26 -5.16 105.19 102.94 1x4x n GLY 4 Ca -0.05 0.96 -0.22 0.00 0.00 0.00 0.00 46.02 46.71 1x4x n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4x s SER 5 N -0.18 1.99 -0.38 1.61 0.01 -1.26 -5.03 113.70 110.46 1x4x s SER 5 Ca 0.23 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 56.98 1x4x s SER 5 Cb 0.25 -0.13 0.44 0.00 0.21 0.00 0.00 66.02 66.80 1x4x s SER 5 CO -0.15 0.06 1.78 -1.20 0.41 0.00 0.00 173.24 174.14 1x4x n SER 6 N 1.71 4.61 0.00 2.44 7.64 -1.26 -4.95 113.62 123.81 1x4x n SER 6 Ca -0.18 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.45 1x4x n SER 6 Cb 0.54 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1x4x n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4x n GLY 7 N -0.58 -1.26 0.03 0.23 0.00 -1.26 -4.13 105.19 98.22 1x4x n GLY 7 Ca 0.45 -0.99 -0.00 0.00 0.00 0.00 0.00 46.02 45.47 1x4x n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4x n PRO 8 N 0.00 -1.04 -2.69 1.61 -0.04 -1.26 -4.95 135.00 126.62 1x4x n PRO 8 Ca 0.00 -0.02 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 1x4x n PRO 8 Cb 0.00 -0.02 -0.02 0.00 -0.04 0.00 0.00 33.50 33.43 1x4x n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x4x s ASP 9 N -1.54 6.42 0.33 3.54 1.01 -1.26 -4.87 116.67 120.30 1x4x s ASP 9 Ca 0.01 1.10 -0.25 0.00 0.71 0.00 0.00 52.55 54.12 1x4x s ASP 9 Cb -0.00 -2.32 -0.14 0.00 1.01 0.00 0.00 42.92 41.47 1x4x s ASP 9 CO 0.01 -0.50 0.64 1.67 0.21 0.00 0.00 175.17 177.19 1x4x n GLN 10 N -1.74 0.61 -3.61 8.23 7.27 -1.26 -4.87 117.38 122.01 1x4x n GLN 10 Ca 0.02 0.22 -0.34 0.00 0.07 0.00 0.00 57.00 56.96 1x4x n GLN 10 Cb 0.54 -1.44 -0.05 0.00 2.41 0.00 0.00 30.24 31.70 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 -1.97 4.03 0.21 0.00 -0.14 -1.26 -4.11 119.74 116.51 1x4x s LYS 12 Ca 0.33 1.00 -0.30 0.00 -1.36 0.00 0.00 55.97 55.64 1x4x s LYS 12 Cb -0.14 -2.15 -0.09 0.00 -1.68 0.00 0.00 37.83 33.78 1x4x s LYS 12 CO 0.18 -0.20 1.30 -1.25 -0.76 0.00 0.00 175.35 174.62 1x4x s PRO 13 N -3.80 4.40 1.06 -1.68 0.04 -1.26 -4.81 135.00 128.95 1x4x s PRO 13 Ca 0.60 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.54 1x4x s PRO 13 Cb -0.10 -3.19 0.22 0.00 0.04 0.00 0.00 34.50 31.48 1x4x s PRO 13 CO 0.26 -0.22 1.10 -1.25 0.04 0.00 0.00 177.00 176.92 1x4x s PRO 14 N -0.31 -0.10 -0.27 0.56 0.04 -1.26 -4.98 135.00 128.69 1x4x s PRO 14 Ca 0.55 0.34 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 1x4x s PRO 14 Cb -0.36 -1.69 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1x4x s PRO 14 CO 0.39 -3.05 0.07 -1.14 0.04 0.00 0.00 177.00 173.31 1x4x s GLN 15 N -5.07 3.29 -0.18 4.56 2.00 0.21 -4.88 119.66 119.60 1x4x s GLN 15 Ca 0.67 -0.72 -0.17 0.00 -2.00 0.00 0.00 55.36 53.14 1x4x s GLN 15 Cb -0.16 -3.32 -0.04 0.00 0.80 0.00 0.00 33.01 30.28 1x4x s GLN 15 CO 0.57 -0.34 0.44 0.14 -0.50 0.00 0.00 175.29 175.60 1x4x s VAL 16 N 1.53 5.18 -0.56 1.34 -7.23 -1.26 -2.61 120.40 116.81 1x4x s VAL 16 Ca 0.04 0.81 0.04 0.00 -1.81 0.00 0.00 61.98 61.06 1x4x s VAL 16 Cb -0.16 -3.77 0.14 0.00 0.56 0.00 0.00 36.38 33.15 1x4x s VAL 16 CO 0.02 0.26 0.32 -0.89 -0.31 0.00 0.00 175.10 174.51 1x4x s THR 17 N 1.14 2.43 -0.85 5.32 2.01 -0.17 -4.96 115.64 120.56 1x4x s THR 17 Ca 0.22 -3.46 -0.20 0.00 0.31 0.00 0.00 61.69 58.55 1x4x s THR 17 Cb -0.15 -2.66 -0.20 0.00 0.01 0.00 0.00 72.50 69.50 1x4x s THR 17 CO 0.08 -0.89 2.30 0.00 -0.69 0.00 0.00 174.62 175.43 1x4x h ARG 19 N 12.08 0.61 -4.19 0.00 2.47 -1.75 -3.46 114.38 120.14 1x4x h ARG 19 Ca 0.01 -0.04 -0.28 0.00 -1.26 0.00 0.00 59.98 58.41 1x4x h ARG 19 Cb 1.04 -0.14 -0.09 0.00 -1.65 0.00 0.00 29.97 29.13 1x4x h ARG 19 CO 1.19 0.40 -0.23 0.45 0.56 0.00 0.00 179.97 182.34 1x4x s SER 20 N -5.58 0.92 0.44 7.04 0.15 -0.75 -4.95 113.70 110.97 1x4x s SER 20 Ca -0.13 -1.49 0.13 0.00 0.70 0.00 0.00 55.95 55.17 1x4x s SER 20 Cb 0.15 0.64 1.02 0.00 -1.71 0.00 0.00 66.02 66.12 1x4x s SER 20 CO 0.75 -1.26 2.01 0.00 1.20 0.00 0.00 173.24 175.94 1x4x h ALA 21 N 2.13 1.97 0.00 5.45 0.00 -1.89 -2.16 119.26 124.76 1x4x h ALA 21 Ca -0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1x4x h ALA 21 Cb 1.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1x4x h ALA 21 CO 0.39 -0.08 -0.27 0.25 0.00 0.00 0.00 179.25 179.54 1x4x n THR 22 N -4.47 1.95 -3.93 0.00 -2.24 -1.26 -3.39 114.28 100.94 1x4x n THR 22 Ca 0.08 -2.65 -0.10 0.00 -2.27 0.00 0.00 64.05 59.10 1x4x n THR 22 Cb 0.30 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.89 -1.46 -0.01 0.00 0.00 -0.08 -1.82 121.76 117.51 1x4x s ALA 24 Ca -0.10 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1x4x s ALA 24 Cb -0.06 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 1x4x s ALA 24 CO -0.00 -0.60 -0.11 -1.14 0.00 0.00 0.00 175.76 173.91 1x4x s GLN 25 N -2.87 0.89 0.10 0.00 2.00 -1.11 -0.44 119.66 118.22 1x4x s GLN 25 Ca -0.03 -0.40 0.09 0.00 -2.00 0.00 0.00 55.36 53.02 1x4x s GLN 25 Cb -0.00 -0.86 -0.04 0.00 0.80 0.00 0.00 33.01 32.91 1x4x s GLN 25 CO -0.05 0.23 -0.22 0.08 -0.50 0.00 0.00 175.29 174.84 1x4x s VAL 26 N -0.28 2.57 -0.07 1.34 1.01 -0.77 -1.00 120.40 123.20 1x4x s VAL 26 Ca 0.04 -1.52 -0.04 0.00 0.00 0.00 0.00 61.98 60.46 1x4x s VAL 26 Cb -0.04 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.24 1x4x s VAL 26 CO -0.00 0.17 0.18 0.20 0.00 0.00 0.00 175.10 175.64 1x4x s ASN 27 N -1.89 -0.17 0.30 3.32 -0.87 -1.07 -2.97 114.94 111.59 1x4x s ASN 27 Ca 0.15 0.36 0.06 0.00 -1.57 0.00 0.00 52.86 51.87 1x4x s ASN 27 Cb -0.10 0.29 -0.02 0.00 -0.02 0.00 0.00 41.25 41.40 1x4x s ASN 27 CO 0.07 -0.12 0.23 -2.67 -2.57 0.00 0.00 177.10 172.04 1x4x n TRP 28 N 3.78 -0.57 -4.04 2.20 2.14 -1.07 -0.62 117.44 119.27 1x4x n TRP 28 Ca -0.21 -2.45 -0.10 0.00 2.07 0.00 0.00 57.50 56.81 1x4x n TRP 28 Cb 0.54 0.21 -0.05 0.00 -0.81 0.00 0.00 31.31 31.21 1x4x n TRP 28 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1x4x s GLU 29 N -3.22 1.59 -0.10 -2.67 2.02 -1.26 -4.81 118.70 110.25 1x4x s GLU 29 Ca 0.32 -1.40 -0.15 0.00 0.02 0.00 0.00 54.97 53.77 1x4x s GLU 29 Cb 0.02 0.44 -0.05 0.00 0.10 0.00 0.00 34.13 34.64 1x4x s GLU 29 CO 0.23 -0.65 0.36 0.08 0.02 0.00 0.00 175.26 175.30 1x4x s VAL 30 N -3.80 5.20 0.00 2.63 1.01 -1.26 -4.80 120.40 119.38 1x4x s VAL 30 Ca 0.26 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1x4x s VAL 30 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1x4x s VAL 30 CO 0.12 0.45 0.00 -0.81 0.00 0.00 0.00 175.10 174.85 1x4x n PRO 31 N 2.94 -0.82 -2.49 2.72 -0.04 -1.26 -4.91 135.00 131.14 1x4x n PRO 31 Ca -0.12 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 1x4x n PRO 31 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 1x4x n PRO 31 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x4x s LEU 32 N 0.00 3.27 -0.53 1.53 1.43 -1.26 -4.97 118.68 118.15 1x4x s LEU 32 Ca 0.00 -0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 1x4x s LEU 32 Cb 0.00 -2.76 0.08 0.00 0.03 0.00 0.00 46.19 43.54 1x4x s LEU 32 CO 0.00 -1.79 0.61 -0.55 0.23 0.00 0.00 176.35 174.84 1x4x s SER 33 N 4.06 6.20 -0.24 2.29 0.15 -1.26 -4.49 113.70 120.41 1x4x s SER 33 Ca 0.42 -1.15 0.06 0.00 0.70 0.00 0.00 55.95 55.99 1x4x s SER 33 Cb -0.09 -2.27 -0.19 0.00 -1.71 0.00 0.00 66.02 61.76 1x4x s SER 33 CO 0.19 -0.91 -0.15 -0.46 1.20 0.00 0.00 173.24 173.11 1x4x n ASN 34 N 6.04 1.47 0.00 5.45 0.23 -1.26 -4.91 115.26 122.28 1x4x n ASN 34 Ca -0.08 -0.10 0.00 0.00 -0.53 0.00 0.00 54.58 53.86 1x4x n ASN 34 Cb 0.44 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 1x4x n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x4x n GLY 35 N 2.13 -0.17 3.76 4.83 0.00 -1.26 -5.03 105.19 109.46 1x4x n GLY 35 Ca -0.42 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.17 4.07 -0.17 2.61 -4.23 -1.26 -5.05 115.64 111.44 1x4x s THR 36 Ca 0.00 1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 62.42 1x4x s THR 36 Cb 0.00 -4.23 -0.04 0.00 1.34 0.00 0.00 72.50 69.57 1x4x s THR 36 CO 0.00 0.40 0.07 -1.81 -0.54 0.00 0.00 174.62 172.75 1x4x s ASP 37 N -1.27 5.77 0.34 3.99 1.11 -1.26 -4.78 116.67 120.56 1x4x s ASP 37 Ca 0.44 0.16 -0.29 0.00 0.18 0.00 0.00 52.55 53.04 1x4x s ASP 37 Cb -0.25 -1.94 -0.12 0.00 1.07 0.00 0.00 42.92 41.68 1x4x s ASP 37 CO 0.30 0.23 1.40 0.52 1.18 0.00 0.00 175.17 178.81 1x4x n VAL 38 N 3.16 1.77 0.00 -1.27 0.31 -1.26 -4.63 118.33 116.41 1x4x n VAL 38 Ca -0.17 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 1x4x n VAL 38 Cb 0.53 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 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 0.75 0.00 -4.20 2.52 -2.24 -0.28 -5.02 114.28 105.81 1x4x n THR 39 Ca 0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1x4x n THR 39 Cb 0.37 -0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 67.81 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 -1.99 1.07 -0.11 -0.78 2.02 -1.24 -4.57 118.70 113.10 1x4x s GLU 40 Ca 0.00 -1.53 -0.03 0.00 0.02 0.00 0.00 54.97 53.43 1x4x s GLU 40 Cb 0.00 0.08 0.04 0.00 0.10 0.00 0.00 34.13 34.35 1x4x s GLU 40 CO 0.00 -0.26 0.04 0.71 0.02 0.00 0.00 175.26 175.77 1x4x s TYR 41 N -3.95 0.54 -0.38 1.61 1.51 -1.06 -1.41 117.35 114.21 1x4x s TYR 41 Ca 0.28 -0.28 -0.15 0.00 -1.01 0.00 0.00 57.07 55.92 1x4x s TYR 41 Cb 0.07 -0.77 0.00 0.00 -0.11 0.00 0.00 41.96 41.15 1x4x s TYR 41 CO 0.05 -0.41 0.32 1.03 -1.11 0.00 0.00 175.55 175.44 1x4x s ARG 42 N 2.02 3.27 -0.20 -0.62 0.52 -1.15 -2.89 118.95 119.89 1x4x s ARG 42 Ca 0.03 -0.74 -0.02 0.00 -0.52 0.00 0.00 55.73 54.48 1x4x s ARG 42 Cb -0.14 -3.89 0.00 0.00 0.52 0.00 0.00 34.95 31.44 1x4x s ARG 42 CO -0.06 -0.63 -0.10 -1.17 0.02 0.00 0.00 175.30 173.36 1x4x s LEU 43 N 1.84 2.64 -0.00 2.53 2.96 -0.95 -2.03 118.68 125.67 1x4x s LEU 43 Ca 0.08 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1x4x s LEU 43 Cb -0.18 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1x4x s LEU 43 CO 0.11 -0.01 0.14 -1.61 -1.32 0.00 0.00 176.35 173.67 1x4x s GLU 44 N 1.37 3.29 -0.10 1.98 2.02 -0.31 -0.33 118.70 126.62 1x4x s GLU 44 Ca 0.05 -0.40 -0.04 0.00 0.02 0.00 0.00 54.97 54.60 1x4x s GLU 44 Cb -0.14 -3.00 0.05 0.00 0.10 0.00 0.00 34.13 31.15 1x4x s GLU 44 CO -0.06 0.66 0.20 -0.46 0.02 0.00 0.00 175.26 175.62 1x4x s TRP 45 N -1.29 -0.27 -0.18 1.61 -0.11 0.07 -1.93 118.94 116.85 1x4x s TRP 45 Ca 0.26 0.75 -0.10 0.00 1.22 0.00 0.00 56.10 58.23 1x4x s TRP 45 Cb -0.12 -0.18 0.06 0.00 -1.50 0.00 0.00 33.47 31.73 1x4x s TRP 45 CO 0.17 -0.30 0.43 0.20 -4.62 0.00 0.00 176.95 172.83 1x4x s GLY 46 N 2.34 -0.35 0.09 5.86 0.00 -0.99 -4.12 107.32 110.15 1x4x s GLY 46 Ca 0.02 1.59 -0.18 0.00 0.00 0.00 0.00 44.72 46.15 1x4x s GLY 46 CO -0.07 1.71 1.11 0.61 0.00 0.00 0.00 173.10 176.47 1x4x n GLY 47 N 4.20 -2.19 3.66 0.20 0.00 -1.26 -2.61 105.19 107.19 1x4x n GLY 47 Ca -0.23 0.82 -0.39 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.77 5.16 0.52 1.61 1.01 -1.26 -3.18 120.40 119.50 1x4x s VAL 48 Ca -0.07 0.78 0.31 0.00 0.00 0.00 0.00 61.98 63.00 1x4x s VAL 48 Cb 0.06 -3.77 0.48 0.00 0.00 0.00 0.00 36.38 33.16 1x4x s VAL 48 CO 0.36 0.21 1.87 1.05 0.00 0.00 0.00 175.10 178.60 1x4x h GLU 49 N 7.51 0.05 -0.80 2.72 4.11 -1.92 0.11 114.58 126.36 1x4x h GLU 49 Ca -0.34 -0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.14 1x4x h GLU 49 Cb 1.16 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1x4x h GLU 49 CO 0.72 0.03 0.53 0.78 0.07 0.00 0.00 179.01 181.13 1x4x h GLY 50 N 0.05 1.12 -7.54 1.06 0.00 -1.92 -3.37 103.07 92.47 1x4x h GLY 50 Ca 0.45 -0.36 -0.61 0.00 0.00 0.00 0.00 47.33 46.80 1x4x h GLY 50 CO -0.03 0.28 -0.76 -0.56 0.00 0.00 0.00 176.54 175.47 1x4x s SER 51 N -6.16 4.07 0.13 0.19 0.01 0.39 -5.11 113.70 107.22 1x4x s SER 51 Ca -0.11 -1.48 0.07 0.00 1.31 0.00 0.00 55.95 55.74 1x4x s SER 51 Cb 0.19 -1.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.19 1x4x s SER 51 CO 0.78 -0.31 -0.16 -0.04 0.41 0.00 0.00 173.24 173.93 1x4x s MET 52 N 1.34 1.08 0.12 12.44 -1.94 -1.26 -4.38 119.30 126.70 1x4x s MET 52 Ca 0.01 -1.26 -0.04 0.00 -1.71 0.00 0.00 55.69 52.69 1x4x s MET 52 Cb -0.19 -1.05 -0.03 0.00 2.01 0.00 0.00 34.83 35.58 1x4x s MET 52 CO -0.11 0.21 0.12 -0.65 -0.01 0.00 0.00 175.02 174.58 1x4x s GLN 53 N -2.59 0.92 -0.18 2.03 -1.52 -1.26 -4.95 119.66 112.11 1x4x s GLN 53 Ca 0.10 -1.26 -0.29 0.00 -1.95 0.00 0.00 55.36 51.96 1x4x s GLN 53 Cb -0.06 0.29 -0.05 0.00 -0.22 0.00 0.00 33.01 32.97 1x4x s GLN 53 CO 0.04 -0.28 1.93 0.42 -0.25 0.00 0.00 175.29 177.15 1x4x s ILE 54 N -3.98 3.28 -0.13 1.08 -1.09 -1.26 -0.75 121.20 118.35 1x4x s ILE 54 Ca 0.16 0.30 -0.15 0.00 -2.23 0.00 0.00 60.65 58.74 1x4x s ILE 54 Cb 0.06 -3.30 -0.25 0.00 -1.58 0.00 0.00 42.46 37.39 1x4x s ILE 54 CO -0.03 -0.14 0.42 0.00 -1.23 0.00 0.00 174.94 173.96 1x4x s TYR 56 N -2.47 -0.09 -0.02 0.00 6.14 -1.06 -5.04 117.35 114.81 1x4x s TYR 56 Ca -0.23 0.21 0.01 0.00 0.64 0.00 0.00 57.07 57.71 1x4x s TYR 56 Cb 0.05 0.02 0.01 0.00 0.42 0.00 0.00 41.96 42.47 1x4x s TYR 56 CO 0.72 -0.08 -0.03 0.00 0.64 0.00 0.00 175.55 176.80 1x4x n GLY 58 N 3.61 0.81 0.27 0.00 0.00 -1.14 -4.95 105.19 103.79 1x4x n GLY 58 Ca -0.21 -1.34 0.17 0.00 0.00 0.00 0.00 46.02 44.63 1x4x n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4x h PRO 59 N 0.00 0.00 -6.12 1.61 0.13 -1.89 -2.80 132.00 122.94 1x4x h PRO 59 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1x4x h PRO 59 Cb 0.00 0.00 0.24 0.00 0.13 0.00 0.00 31.00 31.37 1x4x h PRO 59 CO 0.00 0.03 -1.88 0.41 -0.23 0.00 0.00 178.00 176.33 1x4x n GLY 60 N -0.02 -3.94 0.01 1.56 0.00 -1.26 -4.91 105.19 96.64 1x4x n GLY 60 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 46.02 45.38 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 2.75 0.28 -3.80 0.99 4.77 -1.26 -4.90 117.00 115.83 1x4x n LEU 61 Ca -0.01 -0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 55.24 1x4x n LEU 61 Cb 0.60 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 1x4x n LEU 61 CO 0.51 0.07 -0.11 -0.44 -1.33 0.00 0.00 177.39 176.08 1x4x s SER 62 N -0.93 -0.21 -0.07 -1.43 0.01 -1.26 -2.59 113.70 107.22 1x4x s SER 62 Ca 0.01 0.37 -0.06 0.00 1.31 0.00 0.00 55.95 57.58 1x4x s SER 62 Cb 0.01 0.43 0.02 0.00 0.21 0.00 0.00 66.02 66.70 1x4x s SER 62 CO 0.05 -0.13 0.19 -0.47 0.41 0.00 0.00 173.24 173.28 1x4x s TYR 63 N -0.12 -0.21 0.07 2.43 5.04 -1.16 -5.06 117.35 118.34 1x4x s TYR 63 Ca -0.02 0.52 -0.02 0.00 -2.44 0.00 0.00 57.07 55.11 1x4x s TYR 63 Cb -0.02 0.05 -0.04 0.00 0.35 0.00 0.00 41.96 42.29 1x4x s TYR 63 CO 0.01 -0.12 0.25 -1.83 -1.34 0.00 0.00 175.55 172.52 1x4x s GLU 64 N 0.35 3.50 -0.04 4.97 -1.05 -1.26 -1.85 118.70 123.31 1x4x s GLU 64 Ca -0.02 -0.30 0.05 0.00 -0.15 0.00 0.00 54.97 54.54 1x4x s GLU 64 Cb -0.03 -3.00 -0.01 0.00 -0.44 0.00 0.00 34.13 30.65 1x4x s GLU 64 CO -0.01 0.59 -0.18 0.42 0.95 0.00 0.00 175.26 177.02 1x4x s ILE 65 N -1.50 1.46 0.28 1.83 1.01 0.41 -4.97 121.20 119.72 1x4x s ILE 65 Ca 0.35 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1x4x s ILE 65 Cb -0.13 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1x4x s ILE 65 CO 0.25 0.42 0.17 -0.54 0.00 0.00 0.00 174.94 175.24 1x4x s LYS 66 N -0.05 1.51 -0.39 2.79 1.02 -1.26 -0.90 119.74 122.46 1x4x s LYS 66 Ca -0.02 -1.85 0.00 0.00 0.02 0.00 0.00 55.97 54.12 1x4x s LYS 66 Cb -0.11 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 1x4x s LYS 66 CO 0.02 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 1x4x n GLY 67 N -0.51 0.35 3.97 -3.33 0.00 -0.91 -4.99 105.19 99.78 1x4x n GLY 67 Ca 0.02 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.13 2.95 0.03 0.99 1.43 -1.12 -5.07 118.68 116.76 1x4x s LEU 68 Ca 0.00 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.02 1x4x s LEU 68 Cb 0.00 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1x4x s LEU 68 CO 0.00 -1.91 -0.21 -0.44 0.23 0.00 0.00 176.35 174.02 1x4x s SER 69 N -4.71 3.56 0.61 2.29 0.01 -1.26 -4.43 113.70 109.76 1x4x s SER 69 Ca 0.66 -0.46 -0.17 0.00 1.31 0.00 0.00 55.95 57.29 1x4x s SER 69 Cb -0.06 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.63 1x4x s SER 69 CO 0.45 0.27 1.12 -2.16 0.41 0.00 0.00 173.24 173.33 1x4x s PRO 70 N -1.24 3.06 -1.27 12.44 0.04 -1.22 -3.82 135.00 142.99 1x4x s PRO 70 Ca 0.13 1.49 -0.06 0.00 0.04 0.00 0.00 61.00 62.60 1x4x s PRO 70 Cb -0.10 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1x4x s PRO 70 CO 0.03 -1.06 0.65 0.00 0.04 0.00 0.00 177.00 176.66 1x4x n ALA 71 N -1.90 -2.19 -3.74 8.56 0.00 -0.25 -4.87 120.51 116.12 1x4x n ALA 71 Ca 0.11 -0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 1x4x n ALA 71 Cb 0.51 -2.62 -0.16 0.00 0.00 0.00 0.00 19.45 17.18 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 -3.68 -0.08 0.12 0.00 2.01 -1.25 -4.97 115.64 107.79 1x4x s THR 72 Ca 0.16 0.28 -0.31 0.00 0.31 0.00 0.00 61.69 62.13 1x4x s THR 72 Cb -0.05 -0.12 -0.07 0.00 0.01 0.00 0.00 72.50 72.27 1x4x s THR 72 CO 0.84 0.11 1.30 -0.89 -0.69 0.00 0.00 174.62 175.30 1x4x s THR 73 N 1.41 3.55 0.19 -0.82 2.01 -1.26 -3.11 115.64 117.62 1x4x s THR 73 Ca -0.05 1.15 0.04 0.00 0.31 0.00 0.00 61.69 63.14 1x4x s THR 73 Cb -0.13 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1x4x s THR 73 CO -0.03 0.11 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.65 1x4x s TYR 74 N 0.83 1.42 0.01 4.92 2.02 0.10 -4.11 117.35 122.55 1x4x s TYR 74 Ca 0.60 -0.84 -0.02 0.00 -0.37 0.00 0.00 57.07 56.44 1x4x s TYR 74 Cb -0.34 -0.77 -0.01 0.00 -0.40 0.00 0.00 41.96 40.43 1x4x s TYR 74 CO 0.32 0.02 0.02 0.71 -1.57 0.00 0.00 175.55 175.04 1x4x s TYR 75 N -3.38 0.19 -0.10 2.71 1.51 -1.07 -0.80 117.35 116.41 1x4x s TYR 75 Ca 0.23 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.82 1x4x s TYR 75 Cb 0.04 -0.15 0.04 0.00 -0.11 0.00 0.00 41.96 41.78 1x4x s TYR 75 CO 0.05 -0.21 0.25 0.00 -1.11 0.00 0.00 175.55 174.53 1x4x s ARG 77 N 0.92 0.43 0.06 0.00 1.70 -0.81 -2.84 118.95 118.41 1x4x s ARG 77 Ca -0.06 -0.14 0.09 0.00 -0.47 0.00 0.00 55.73 55.15 1x4x s ARG 77 Cb -0.08 -0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 33.83 1x4x s ARG 77 CO -0.06 0.06 -0.25 0.54 -1.08 0.00 0.00 175.30 174.50 1x4x s VAL 78 N 0.13 2.25 0.15 4.99 0.11 -1.26 -1.16 120.40 125.61 1x4x s VAL 78 Ca -0.01 -1.43 0.01 0.00 -2.93 0.00 0.00 61.98 57.62 1x4x s VAL 78 Cb -0.05 -1.91 -0.04 0.00 -1.53 0.00 0.00 36.38 32.85 1x4x s VAL 78 CO -0.00 0.31 -0.00 0.00 -3.33 0.00 0.00 175.10 172.08 1x4x s GLN 79 N -1.41 1.02 -0.17 1.54 -2.07 -0.86 -2.29 119.66 115.42 1x4x s GLN 79 Ca 0.13 -1.48 -0.02 0.00 -1.82 0.00 0.00 55.36 52.16 1x4x s GLN 79 Cb -0.10 -0.18 -0.02 0.00 -1.09 0.00 0.00 33.01 31.62 1x4x s GLN 79 CO 0.03 -0.13 -0.08 0.00 -1.32 0.00 0.00 175.29 173.80 1x4x s ALA 80 N -3.71 2.78 -0.01 2.60 0.00 -1.26 -2.95 121.76 119.22 1x4x s ALA 80 Ca 0.21 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 1x4x s ALA 80 Cb 0.06 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 1x4x s ALA 80 CO 0.02 -0.02 0.25 -0.51 0.00 0.00 0.00 175.76 175.50 1x4x s LEU 81 N 0.78 4.38 0.00 0.00 1.02 -0.50 0.46 118.68 124.81 1x4x s LEU 81 Ca -0.03 0.54 0.02 0.00 0.02 0.00 0.00 54.13 54.68 1x4x s LEU 81 Cb -0.15 -2.59 -0.01 0.00 0.02 0.00 0.00 46.19 43.47 1x4x s LEU 81 CO 0.02 0.28 0.06 -1.54 0.02 0.00 0.00 176.35 175.18 1x4x n SER 82 N 1.23 1.50 -0.48 2.29 3.41 -0.81 -1.13 113.62 119.63 1x4x n SER 82 Ca -0.12 -2.11 0.12 0.00 -0.26 0.00 0.00 58.87 56.50 1x4x n SER 82 Cb 0.53 0.44 0.48 0.00 -0.26 0.00 0.00 64.21 65.40 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 -0.51 0.09 0.12 -3.33 0.24 -1.26 -3.61 118.33 110.07 1x4x n VAL 83 Ca -0.05 -0.28 0.01 0.00 -2.04 0.00 0.00 64.34 61.99 1x4x n VAL 83 Cb 0.32 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 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 0.17 0.00 0.00 3.34 3.14 -1.26 -5.10 118.33 118.61 1x4x n VAL 84 Ca 0.18 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1x4x n VAL 84 Cb 0.33 1.04 0.00 0.00 -1.06 0.00 0.00 33.84 34.15 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 0.41 -0.53 2.60 7.55 0.00 -1.24 -4.88 105.19 109.11 1x4x n GLY 85 Ca 0.01 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 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 0.61 0.99 4.61 0.00 -1.26 -1.93 121.76 123.78 1x4x s ALA 86 Ca 0.00 -0.72 -0.17 0.00 0.00 0.00 0.00 51.96 51.07 1x4x s ALA 86 Cb 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 23.12 21.82 1x4x s ALA 86 CO 0.00 -1.39 -0.47 0.41 0.00 0.00 0.00 175.76 174.32 1x4x n GLY 87 N 5.22 -3.59 2.61 0.00 0.00 0.17 -4.96 105.19 104.65 1x4x n GLY 87 Ca -0.07 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 1x4x n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4x n PRO 88 N 0.97 -2.63 -3.97 1.61 -0.04 -1.26 -4.44 135.00 125.23 1x4x n PRO 88 Ca 0.01 -1.30 -0.30 0.00 -0.04 0.00 0.00 63.50 61.87 1x4x n PRO 88 Cb 0.57 -1.22 -0.05 0.00 -0.04 0.00 0.00 33.50 32.76 1x4x n PRO 88 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1x4x s PHE 89 N -2.47 3.39 1.03 0.54 0.08 -1.26 -4.13 117.98 115.16 1x4x s PHE 89 Ca 0.53 0.16 -0.17 0.00 0.12 0.00 0.00 56.93 57.57 1x4x s PHE 89 Cb -0.05 -1.69 0.23 0.00 -0.57 0.00 0.00 43.02 40.94 1x4x s PHE 89 CO 0.41 0.56 1.28 -1.54 -0.10 0.00 0.00 175.22 175.82 1x4x s SER 90 N -2.61 2.46 -0.19 1.36 1.04 -0.97 -4.74 113.70 110.04 1x4x s SER 90 Ca 0.33 0.32 -0.29 0.00 0.48 0.00 0.00 55.95 56.79 1x4x s SER 90 Cb -0.12 -0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.57 1x4x s SER 90 CO 0.26 -3.15 1.87 -1.61 0.98 0.00 0.00 173.24 171.59 1x4x s GLU 91 N -5.80 3.62 -0.38 4.02 2.02 -1.26 -4.81 118.70 116.10 1x4x s GLU 91 Ca 0.74 1.91 -0.40 0.00 0.02 0.00 0.00 54.97 57.24 1x4x s GLU 91 Cb -0.05 -4.17 -0.15 0.00 0.10 0.00 0.00 34.13 29.86 1x4x s GLU 91 CO 0.54 -1.53 2.03 0.28 0.02 0.00 0.00 175.26 176.60 1x4x n VAL 92 N 6.75 0.15 -3.21 2.63 0.31 -1.26 -4.66 118.33 119.04 1x4x n VAL 92 Ca 0.23 -0.12 -0.43 0.00 -0.01 0.00 0.00 64.34 64.01 1x4x n VAL 92 Cb 0.45 -1.15 -0.08 0.00 -0.91 0.00 0.00 33.84 32.15 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 5.76 4.96 0.46 2.52 1.01 -1.13 -4.95 120.40 129.03 1x4x s VAL 93 Ca 1.10 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.87 1x4x s VAL 93 Cb -1.13 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 31.05 1x4x s VAL 93 CO 0.60 -0.47 0.93 0.00 0.00 0.00 0.00 175.10 176.17 1x4x s ALA 94 N 2.49 3.10 -0.29 5.51 0.00 -1.26 -2.74 121.76 128.58 1x4x s ALA 94 Ca 0.18 0.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.22 1x4x s ALA 94 Cb -0.15 -3.07 0.10 0.00 0.00 0.00 0.00 23.12 19.99 1x4x s ALA 94 CO 0.16 -0.02 0.72 0.00 0.00 0.00 0.00 175.76 176.62 1x4x s VAL 96 N 1.89 2.96 0.60 0.00 1.01 -1.26 0.02 120.40 125.62 1x4x s VAL 96 Ca -0.09 -1.22 -0.19 0.00 0.00 0.00 0.00 61.98 60.48 1x4x s VAL 96 Cb -0.06 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1x4x s VAL 96 CO -0.19 0.02 1.16 0.35 0.00 0.00 0.00 175.10 176.44 1x4x n THR 97 N 4.64 4.12 -2.26 3.92 -2.24 -1.18 -4.83 114.28 116.44 1x4x n THR 97 Ca -0.15 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 60.78 1x4x n THR 97 Cb 0.45 -1.37 -0.00 0.00 -2.10 0.00 0.00 70.33 67.30 1x4x n THR 97 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1x4x s PRO 98 N -2.96 3.52 0.27 -0.78 0.04 -1.26 -1.09 135.00 132.74 1x4x s PRO 98 Ca 0.77 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 63.19 1x4x s PRO 98 Cb -0.41 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 1x4x s PRO 98 CO 0.45 -0.72 1.25 -1.25 0.04 0.00 0.00 177.00 176.78 1x4x s PRO 99 N -3.05 4.44 -0.73 0.56 0.04 -1.26 -3.47 135.00 131.52 1x4x s PRO 99 Ca 0.69 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.64 1x4x s PRO 99 Cb -0.26 -3.15 0.19 0.00 0.04 0.00 0.00 34.50 31.33 1x4x s PRO 99 CO 0.30 -0.11 0.68 0.45 0.04 0.00 0.00 177.00 178.36 1x4x s SER 100 N -0.29 6.57 -0.40 6.66 0.15 -1.26 -4.95 113.70 120.18 1x4x s SER 100 Ca 0.50 -2.40 -0.02 0.00 0.70 0.00 0.00 55.95 54.73 1x4x s SER 100 Cb -0.37 -2.21 0.11 0.00 -1.71 0.00 0.00 66.02 61.84 1x4x s SER 100 CO 0.45 -0.66 0.18 -0.44 1.20 0.00 0.00 173.24 173.97 1x4x s SER 101 N 2.62 5.21 0.41 5.45 0.01 -1.26 -5.01 113.70 121.14 1x4x s SER 101 Ca 0.13 -1.99 0.00 0.00 1.31 0.00 0.00 55.95 55.40 1x4x s SER 101 Cb -0.17 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.25 1x4x s SER 101 CO -0.05 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1x4x n GLY 102 N 4.58 -3.88 3.58 3.44 0.00 -1.26 -4.72 105.19 106.93 1x4x n GLY 102 Ca -0.03 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 -4.79 3.16 -0.32 1.61 0.04 -1.26 -4.95 135.00 128.49 1x4x s PRO 103 Ca 0.00 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.12 1x4x s PRO 103 Cb 0.00 -4.23 0.11 0.00 0.04 0.00 0.00 34.50 30.42 1x4x s PRO 103 CO 0.00 -2.08 0.13 0.45 0.04 0.00 0.00 177.00 175.54 1x4x s SER 104 N 6.33 3.81 0.12 6.66 0.15 -1.26 -5.12 113.70 124.39 1x4x s SER 104 Ca 0.73 -1.71 0.03 0.00 0.70 0.00 0.00 55.95 55.70 1x4x s SER 104 Cb -0.18 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.35 1x4x s SER 104 CO 0.29 -0.40 -0.09 -0.44 1.20 0.00 0.00 173.24 173.81 1x4x s SER 105 N 1.55 1.44 0.00 5.45 0.01 -1.26 -5.16 113.70 115.73 1x4x s SER 105 Ca 0.11 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1x4x s SER 105 Cb -0.18 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1x4x s SER 105 CO -0.23 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.65