#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 7.10 -0.40 1.61 0.15 -1.26 -5.00 113.70 115.91 1x4x s SER 2 Ca 0.00 1.47 -0.26 0.00 0.70 0.00 0.00 55.95 57.86 1x4x s SER 2 Cb 0.00 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 1x4x s SER 2 CO 0.00 -0.64 0.96 -0.94 1.20 0.00 0.00 173.24 173.82 1x4x s SER 3 N 1.30 6.65 -0.23 5.45 1.04 -1.26 -5.00 113.70 121.66 1x4x s SER 3 Ca 0.47 0.50 -0.09 0.00 0.48 0.00 0.00 55.95 57.31 1x4x s SER 3 Cb -0.17 -2.48 0.09 0.00 0.10 0.00 0.00 66.02 63.57 1x4x s SER 3 CO 0.10 -0.94 0.51 -0.83 0.98 0.00 0.00 173.24 173.06 1x4x s GLY 4 N 2.01 -0.48 0.04 7.32 0.00 -1.26 -5.04 107.32 109.90 1x4x s GLY 4 Ca 0.40 1.84 0.00 0.00 0.00 0.00 0.00 44.72 46.95 1x4x s GLY 4 CO 0.22 2.46 0.00 -1.26 0.00 0.00 0.00 173.10 174.51 1x4x n SER 5 N 5.09 0.20 -4.43 1.64 2.88 -1.26 -4.97 113.62 112.77 1x4x n SER 5 Ca -0.13 0.06 -0.44 0.00 -1.33 0.00 0.00 58.87 57.03 1x4x n SER 5 Cb 0.51 -0.04 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 1x4x n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4x s SER 6 N -5.19 6.34 0.00 -3.46 0.01 -1.26 -4.93 113.70 105.21 1x4x s SER 6 Ca 0.00 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.76 1x4x s SER 6 Cb 0.00 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1x4x s SER 6 CO 0.00 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.05 1x4x n GLY 7 N 5.31 1.96 3.62 3.44 0.00 -1.26 -4.65 105.19 113.61 1x4x n GLY 7 Ca 0.04 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.68 0.56 1.61 0.04 -1.26 -5.00 135.00 128.27 1x4x s PRO 8 Ca 0.00 0.13 -0.12 0.00 0.04 0.00 0.00 61.00 61.05 1x4x s PRO 8 Cb 0.00 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.85 1x4x s PRO 8 CO 0.00 -3.39 0.98 -0.51 0.04 0.00 0.00 177.00 174.12 1x4x s ASP 9 N -3.73 6.37 0.75 6.66 1.01 -1.26 -4.80 116.67 121.66 1x4x s ASP 9 Ca 0.69 1.41 -0.16 0.00 0.71 0.00 0.00 52.55 55.19 1x4x s ASP 9 Cb -0.13 -2.45 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 1x4x s ASP 9 CO 0.57 -0.73 0.21 1.67 0.21 0.00 0.00 175.17 177.09 1x4x n GLN 10 N -2.27 0.14 -4.35 8.23 7.27 -1.26 -4.91 117.38 120.24 1x4x n GLN 10 Ca 0.06 0.08 -0.34 0.00 0.07 0.00 0.00 57.00 56.87 1x4x n GLN 10 Cb 0.54 -1.57 -0.09 0.00 2.41 0.00 0.00 30.24 31.53 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 -1.25 3.57 0.30 0.00 -0.14 -1.26 -4.19 119.74 116.78 1x4x s LYS 12 Ca 0.17 1.22 -0.29 0.00 -1.36 0.00 0.00 55.97 55.70 1x4x s LYS 12 Cb -0.11 -2.07 -0.10 0.00 -1.68 0.00 0.00 37.83 33.87 1x4x s LYS 12 CO 0.07 -0.60 1.23 -1.25 -0.76 0.00 0.00 175.35 174.04 1x4x s PRO 13 N -3.79 4.46 1.00 -1.68 0.04 -1.26 -4.83 135.00 128.93 1x4x s PRO 13 Ca 0.64 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.61 1x4x s PRO 13 Cb -0.15 -3.12 0.19 0.00 0.04 0.00 0.00 34.50 31.46 1x4x s PRO 13 CO 0.30 -0.05 1.09 -1.25 0.04 0.00 0.00 177.00 177.13 1x4x s PRO 14 N -1.51 0.40 -0.35 0.56 0.04 -1.26 -4.97 135.00 127.92 1x4x s PRO 14 Ca 0.48 0.51 -0.08 0.00 0.04 0.00 0.00 61.00 61.95 1x4x s PRO 14 Cb -0.37 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.47 1x4x s PRO 14 CO 0.47 -2.75 0.14 -1.14 0.04 0.00 0.00 177.00 173.76 1x4x s GLN 15 N -4.96 2.73 0.10 4.56 0.74 0.24 -4.88 119.66 118.19 1x4x s GLN 15 Ca 0.65 -1.12 -0.25 0.00 0.05 0.00 0.00 55.36 54.69 1x4x s GLN 15 Cb -0.19 -3.55 -0.07 0.00 1.10 0.00 0.00 33.01 30.31 1x4x s GLN 15 CO 0.58 -0.66 0.77 0.14 -0.55 0.00 0.00 175.29 175.57 1x4x s VAL 16 N 1.46 4.56 -0.42 1.34 -7.23 -1.26 -2.97 120.40 115.89 1x4x s VAL 16 Ca -0.00 1.67 0.02 0.00 -1.81 0.00 0.00 61.98 61.85 1x4x s VAL 16 Cb -0.19 -4.13 0.14 0.00 0.56 0.00 0.00 36.38 32.76 1x4x s VAL 16 CO 0.04 0.44 0.23 -0.89 -0.31 0.00 0.00 175.10 174.61 1x4x s THR 17 N -0.56 1.07 -0.70 5.32 2.01 -0.30 -4.98 115.64 117.51 1x4x s THR 17 Ca 0.37 -2.33 -0.29 0.00 0.31 0.00 0.00 61.69 59.75 1x4x s THR 17 Cb -0.22 -1.76 -0.14 0.00 0.01 0.00 0.00 72.50 70.40 1x4x s THR 17 CO 0.25 -0.92 2.52 0.00 -0.69 0.00 0.00 174.62 175.78 1x4x h ARG 19 N 15.93 0.63 -2.89 0.00 2.47 -1.78 -3.48 114.38 125.27 1x4x h ARG 19 Ca -0.16 -0.37 0.03 0.00 -1.26 0.00 0.00 59.98 58.22 1x4x h ARG 19 Cb 1.29 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.63 1x4x h ARG 19 CO 1.25 0.98 0.35 -1.12 0.56 0.00 0.00 179.97 181.99 1x4x s SER 20 N -6.90 -0.01 0.58 7.04 0.01 -0.92 -4.89 113.70 108.61 1x4x s SER 20 Ca -0.08 -1.01 0.27 0.00 1.31 0.00 0.00 55.95 56.44 1x4x s SER 20 Cb 0.11 0.76 1.64 0.00 0.21 0.00 0.00 66.02 68.75 1x4x s SER 20 CO 0.85 -1.51 2.14 0.00 0.41 0.00 0.00 173.24 175.12 1x4x h ALA 21 N 2.00 1.80 0.00 1.44 0.00 -1.92 -2.05 119.26 120.53 1x4x h ALA 21 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1x4x h ALA 21 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1x4x h ALA 21 CO 0.39 -0.22 -0.07 0.25 0.00 0.00 0.00 179.25 179.60 1x4x n THR 22 N -3.93 0.91 -4.29 0.00 -2.24 -1.26 -2.80 114.28 100.66 1x4x n THR 22 Ca 0.01 -1.01 -0.23 0.00 -2.27 0.00 0.00 64.05 60.55 1x4x n THR 22 Cb 0.26 0.40 -0.12 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.42 -1.42 -0.01 0.00 0.00 0.51 -2.18 121.76 117.24 1x4x s ALA 24 Ca 0.08 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.39 1x4x s ALA 24 Cb -0.09 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 23.85 1x4x s ALA 24 CO 0.05 -0.73 0.03 -1.14 0.00 0.00 0.00 175.76 173.97 1x4x s GLN 25 N -3.71 0.13 0.12 0.00 0.74 -1.15 -0.24 119.66 115.55 1x4x s GLN 25 Ca 0.01 -0.10 0.09 0.00 0.05 0.00 0.00 55.36 55.41 1x4x s GLN 25 Cb -0.00 0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.12 1x4x s GLN 25 CO -0.12 -0.02 -0.22 0.08 -0.55 0.00 0.00 175.29 174.46 1x4x s VAL 26 N -0.36 1.88 -0.10 1.34 1.01 -0.66 -1.15 120.40 122.36 1x4x s VAL 26 Ca -0.04 -1.66 -0.09 0.00 0.00 0.00 0.00 61.98 60.20 1x4x s VAL 26 Cb -0.03 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.67 1x4x s VAL 26 CO -0.00 -0.06 0.26 0.20 0.00 0.00 0.00 175.10 175.51 1x4x s ASN 27 N -2.06 -0.28 0.29 3.32 0.01 -1.16 -2.66 114.94 112.40 1x4x s ASN 27 Ca 0.10 0.54 0.06 0.00 -0.71 0.00 0.00 52.86 52.85 1x4x s ASN 27 Cb -0.09 0.53 -0.02 0.00 0.41 0.00 0.00 41.25 42.07 1x4x s ASN 27 CO 0.05 -0.10 0.27 -2.67 -1.51 0.00 0.00 177.10 173.13 1x4x n TRP 28 N 3.15 -0.76 -4.09 2.20 2.14 -1.02 -0.59 117.44 118.46 1x4x n TRP 28 Ca -0.15 -2.41 -0.12 0.00 2.07 0.00 0.00 57.50 56.89 1x4x n TRP 28 Cb 0.57 0.28 -0.06 0.00 -0.81 0.00 0.00 31.31 31.29 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 -3.13 1.55 -0.22 -2.67 2.02 -1.26 -4.80 118.70 110.18 1x4x s GLU 29 Ca 0.34 -1.51 -0.13 0.00 0.02 0.00 0.00 54.97 53.69 1x4x s GLU 29 Cb 0.01 0.40 -0.05 0.00 0.10 0.00 0.00 34.13 34.60 1x4x s GLU 29 CO 0.24 -0.61 0.25 0.08 0.02 0.00 0.00 175.26 175.24 1x4x s VAL 30 N -3.79 5.30 0.00 2.63 1.01 -1.26 -4.85 120.40 119.45 1x4x s VAL 30 Ca 0.30 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1x4x s VAL 30 Cb 0.02 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1x4x s VAL 30 CO 0.13 0.31 0.00 -0.81 0.00 0.00 0.00 175.10 174.74 1x4x n PRO 31 N 4.31 0.09 -3.42 2.72 -0.04 -1.26 -4.96 135.00 132.45 1x4x n PRO 31 Ca -0.12 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.90 1x4x n PRO 31 Cb 0.52 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 6.19 -1.30 1.53 2.96 -1.26 -4.97 118.68 121.83 1x4x s LEU 32 Ca 0.00 -3.48 -0.14 0.00 -0.22 0.00 0.00 54.13 50.29 1x4x s LEU 32 Cb 0.00 -2.13 0.11 0.00 0.50 0.00 0.00 46.19 44.67 1x4x s LEU 32 CO 0.00 -0.31 1.76 -1.20 -1.32 0.00 0.00 176.35 175.29 1x4x n SER 33 N 2.82 4.86 -4.49 3.68 7.64 -1.26 -4.59 113.62 122.27 1x4x n SER 33 Ca 0.21 -2.96 -0.12 0.00 1.01 0.00 0.00 58.87 57.01 1x4x n SER 33 Cb 0.40 -1.63 -0.10 0.00 -1.01 0.00 0.00 64.21 61.87 1x4x n SER 33 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1x4x n ASN 34 N 6.32 0.80 0.00 6.43 2.04 -1.26 -3.42 115.26 126.17 1x4x n ASN 34 Ca 0.44 -1.97 0.00 0.00 -0.44 0.00 0.00 54.58 52.62 1x4x n ASN 34 Cb 0.42 -1.49 0.00 0.00 -2.53 0.00 0.00 39.78 36.18 1x4x n ASN 34 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1x4x n GLY 35 N 6.04 1.45 3.77 4.83 0.00 -1.26 -5.09 105.19 114.92 1x4x n GLY 35 Ca 0.38 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 3.51 0.14 2.61 -4.23 -1.22 -5.05 115.64 111.40 1x4x s THR 36 Ca 0.00 1.30 0.04 0.00 -1.18 0.00 0.00 61.69 61.85 1x4x s THR 36 Cb 0.00 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 1x4x s THR 36 CO 0.00 0.15 0.17 1.51 -0.54 0.00 0.00 174.62 175.91 1x4x s ASP 37 N -1.23 5.81 -0.41 3.99 -4.77 -1.26 -4.61 116.67 114.19 1x4x s ASP 37 Ca 0.53 0.00 -0.27 0.00 -3.30 0.00 0.00 52.55 49.52 1x4x s ASP 37 Cb -0.27 -1.62 0.02 0.00 -1.09 0.00 0.00 42.92 39.96 1x4x s ASP 37 CO 0.35 0.09 1.00 -0.69 0.70 0.00 0.00 175.17 176.61 1x4x s VAL 38 N -1.67 4.46 -0.06 2.11 1.01 -1.26 -4.31 120.40 120.67 1x4x s VAL 38 Ca 0.32 1.18 -0.11 0.00 0.00 0.00 0.00 61.98 63.37 1x4x s VAL 38 Cb -0.11 -4.43 -0.07 0.00 0.00 0.00 0.00 36.38 31.77 1x4x s VAL 38 CO 0.25 -0.71 0.43 0.71 0.00 0.00 0.00 175.10 175.78 1x4x h THR 39 N 5.96 0.15 -4.30 3.92 1.35 -0.72 -3.49 112.91 115.78 1x4x h THR 39 Ca -0.23 -0.86 -0.37 0.00 -0.55 0.00 0.00 66.41 64.40 1x4x h THR 39 Cb 1.07 0.26 -0.14 0.00 -1.73 0.00 0.00 68.15 67.61 1x4x h THR 39 CO 1.03 0.04 -0.57 -1.83 -0.25 0.00 0.00 175.52 173.95 1x4x s GLU 40 N -2.66 1.50 -0.07 4.72 1.03 -1.25 -4.42 118.70 117.55 1x4x s GLU 40 Ca -0.06 -1.84 0.03 0.00 0.03 0.00 0.00 54.97 53.13 1x4x s GLU 40 Cb 0.00 0.08 0.01 0.00 -0.80 0.00 0.00 34.13 33.42 1x4x s GLU 40 CO 0.19 -0.46 -0.16 0.71 -1.33 0.00 0.00 175.26 174.21 1x4x s TYR 41 N -3.74 1.77 -0.44 4.83 1.51 -0.29 -2.85 117.35 118.13 1x4x s TYR 41 Ca 0.38 -0.65 -0.09 0.00 -1.01 0.00 0.00 57.07 55.70 1x4x s TYR 41 Cb 0.05 -1.24 0.10 0.00 -0.11 0.00 0.00 41.96 40.76 1x4x s TYR 41 CO 0.18 -0.28 0.30 1.03 -1.11 0.00 0.00 175.55 175.66 1x4x s ARG 42 N 0.45 2.56 -0.20 -0.62 0.52 -1.24 -2.33 118.95 118.09 1x4x s ARG 42 Ca -0.13 -1.59 -0.08 0.00 -0.52 0.00 0.00 55.73 53.41 1x4x s ARG 42 Cb -0.15 -3.85 -0.04 0.00 0.52 0.00 0.00 34.95 31.43 1x4x s ARG 42 CO 0.05 -1.06 0.09 -1.17 0.02 0.00 0.00 175.30 173.23 1x4x s LEU 43 N 1.40 3.90 -0.02 2.53 2.96 -0.87 -3.56 118.68 125.02 1x4x s LEU 43 Ca 0.04 0.09 0.06 0.00 -0.22 0.00 0.00 54.13 54.10 1x4x s LEU 43 Cb -0.24 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 1x4x s LEU 43 CO 0.01 0.14 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.38 1x4x s GLU 44 N 0.59 2.27 -0.08 1.98 8.01 -1.03 -0.24 118.70 130.20 1x4x s GLU 44 Ca 0.05 -0.84 -0.02 0.00 0.01 0.00 0.00 54.97 54.17 1x4x s GLU 44 Cb -0.13 -2.22 0.03 0.00 -4.31 0.00 0.00 34.13 27.51 1x4x s GLU 44 CO 0.01 0.58 0.03 -0.46 0.01 0.00 0.00 175.26 175.43 1x4x s TRP 45 N -0.73 0.51 -0.11 1.61 -0.11 -1.01 -2.69 118.94 116.42 1x4x s TRP 45 Ca 0.12 -0.14 -0.06 0.00 1.22 0.00 0.00 56.10 57.23 1x4x s TRP 45 Cb -0.10 -0.73 0.04 0.00 -1.50 0.00 0.00 33.47 31.18 1x4x s TRP 45 CO 0.01 -0.34 0.26 0.20 -4.62 0.00 0.00 176.95 172.46 1x4x s GLY 46 N 2.03 -0.17 0.28 5.86 0.00 -1.08 -4.25 107.32 109.99 1x4x s GLY 46 Ca 0.04 1.00 -0.02 0.00 0.00 0.00 0.00 44.72 45.73 1x4x s GLY 46 CO -0.05 1.17 1.47 0.61 0.00 0.00 0.00 173.10 176.29 1x4x n GLY 47 N 3.97 -1.41 3.35 0.20 0.00 -1.26 -2.70 105.19 107.33 1x4x n GLY 47 Ca -0.23 0.96 -0.33 0.00 0.00 0.00 0.00 46.02 46.43 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 -6.04 2.88 0.45 1.61 1.01 -1.26 -3.51 120.40 115.55 1x4x s VAL 48 Ca -0.13 -0.73 0.22 0.00 0.00 0.00 0.00 61.98 61.34 1x4x s VAL 48 Cb 0.27 -2.19 0.41 0.00 0.00 0.00 0.00 36.38 34.87 1x4x s VAL 48 CO 0.73 0.53 1.86 -0.33 0.00 0.00 0.00 175.10 177.89 1x4x h GLU 49 N 6.62 0.28 0.00 2.72 5.08 -1.94 0.34 114.58 127.67 1x4x h GLU 49 Ca -0.26 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1x4x h GLU 49 Cb 1.21 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1x4x h GLU 49 CO 0.54 0.18 -0.02 0.78 -1.00 0.00 0.00 179.01 179.50 1x4x h GLY 50 N 0.29 0.00 -7.12 -3.84 0.00 -1.94 -3.37 103.07 87.08 1x4x h GLY 50 Ca 0.47 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.29 1x4x h GLY 50 CO -0.14 0.00 -0.76 -0.56 0.00 0.00 0.00 176.54 175.08 1x4x s SER 51 N -6.00 2.89 0.06 0.19 0.01 0.12 -5.13 113.70 105.84 1x4x s SER 51 Ca -0.05 -0.88 -0.00 0.00 1.31 0.00 0.00 55.95 56.33 1x4x s SER 51 Cb 0.14 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1x4x s SER 51 CO 0.53 -0.35 -0.04 -0.04 0.41 0.00 0.00 173.24 173.75 1x4x s MET 52 N 1.97 0.65 0.18 12.44 1.00 -1.26 -4.15 119.30 130.14 1x4x s MET 52 Ca 0.02 -1.22 -0.03 0.00 0.00 0.00 0.00 55.69 54.47 1x4x s MET 52 Cb -0.17 0.10 -0.03 0.00 0.00 0.00 0.00 34.83 34.73 1x4x s MET 52 CO -0.14 -0.08 0.16 1.14 0.00 0.00 0.00 175.02 176.10 1x4x s GLN 53 N -3.76 1.16 -0.47 2.03 -2.07 -1.26 -4.99 119.66 110.30 1x4x s GLN 53 Ca 0.07 -1.51 -0.27 0.00 -1.82 0.00 0.00 55.36 51.83 1x4x s GLN 53 Cb 0.06 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 32.25 1x4x s GLN 53 CO -0.08 -0.38 1.89 0.42 -1.32 0.00 0.00 175.29 175.82 1x4x s ILE 54 N -4.10 3.37 -0.04 3.63 -1.09 -1.26 -2.39 121.20 119.31 1x4x s ILE 54 Ca 0.32 0.30 -0.22 0.00 -2.23 0.00 0.00 60.65 58.82 1x4x s ILE 54 Cb 0.06 -3.70 -0.28 0.00 -1.58 0.00 0.00 42.46 36.96 1x4x s ILE 54 CO 0.08 -0.59 0.96 0.00 -1.23 0.00 0.00 174.94 174.17 1x4x s TYR 56 N -2.74 0.11 -0.07 0.00 5.04 -0.90 -5.04 117.35 113.75 1x4x s TYR 56 Ca -0.14 -0.22 -0.01 0.00 -2.44 0.00 0.00 57.07 54.25 1x4x s TYR 56 Cb 0.01 -0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.26 1x4x s TYR 56 CO 0.81 -0.13 0.00 0.00 -1.34 0.00 0.00 175.55 174.89 1x4x n GLY 58 N 5.15 2.38 0.08 0.00 0.00 -0.98 -4.96 105.19 106.85 1x4x n GLY 58 Ca -0.07 -1.03 0.10 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.99 0.11 -1.03 1.61 -0.04 -1.26 -1.13 135.00 132.27 1x4x n PRO 59 Ca 0.00 0.36 -0.36 0.00 -0.04 0.00 0.00 63.50 63.46 1x4x n PRO 59 Cb 0.00 -1.72 0.03 0.00 -0.04 0.00 0.00 33.50 31.77 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 -4.37 0.13 0.55 0.00 -1.26 -4.80 105.19 95.38 1x4x n GLY 60 Ca 0.03 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.39 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 3.29 0.92 -3.75 0.99 4.77 -1.26 -4.84 117.00 117.11 1x4x n LEU 61 Ca -0.00 -0.77 -0.12 0.00 -0.03 0.00 0.00 56.01 55.08 1x4x n LEU 61 Cb 0.54 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 1x4x n LEU 61 CO 0.53 0.20 -0.02 -0.94 -1.33 0.00 0.00 177.39 175.82 1x4x s SER 62 N -0.94 -0.35 -0.05 -1.43 1.04 -1.26 -2.44 113.70 108.28 1x4x s SER 62 Ca 0.05 0.66 -0.02 0.00 0.48 0.00 0.00 55.95 57.12 1x4x s SER 62 Cb 0.04 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.83 1x4x s SER 62 CO 0.14 -0.13 0.10 -0.47 0.98 0.00 0.00 173.24 173.85 1x4x s TYR 63 N 0.49 -0.08 -0.10 5.02 5.04 -1.09 -5.05 117.35 121.58 1x4x s TYR 63 Ca -0.03 0.33 -0.13 0.00 -2.44 0.00 0.00 57.07 54.80 1x4x s TYR 63 Cb -0.04 -0.15 -0.05 0.00 0.35 0.00 0.00 41.96 42.07 1x4x s TYR 63 CO -0.03 -0.13 0.30 -2.00 -1.34 0.00 0.00 175.55 172.35 1x4x s GLU 64 N 1.10 3.98 -0.03 4.97 2.12 -1.26 -1.66 118.70 127.92 1x4x s GLU 64 Ca -0.09 0.14 0.04 0.00 0.36 0.00 0.00 54.97 55.43 1x4x s GLU 64 Cb -0.12 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 1x4x s GLU 64 CO -0.05 0.49 -0.14 0.42 -0.54 0.00 0.00 175.26 175.44 1x4x s ILE 65 N -0.31 3.07 0.25 -3.70 1.01 0.67 -4.99 121.20 117.19 1x4x s ILE 65 Ca 0.18 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 1x4x s ILE 65 Cb -0.14 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 1x4x s ILE 65 CO 0.07 0.54 0.30 -0.54 0.00 0.00 0.00 174.94 175.30 1x4x s LYS 66 N -0.90 1.45 -0.01 2.79 1.02 -1.26 -0.37 119.74 122.47 1x4x s LYS 66 Ca 0.12 -1.56 -0.00 0.00 0.02 0.00 0.00 55.97 54.56 1x4x s LYS 66 Cb -0.11 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 1x4x s LYS 66 CO 0.02 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1x4x n GLY 67 N -0.37 0.58 4.00 -3.33 0.00 -0.66 -4.99 105.19 100.42 1x4x n GLY 67 Ca 0.01 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.41 3.71 -0.02 0.99 1.43 -0.72 -5.06 118.68 118.59 1x4x s LEU 68 Ca 0.00 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1x4x s LEU 68 Cb -0.00 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1x4x s LEU 68 CO 0.00 -0.70 0.02 -0.44 0.23 0.00 0.00 176.35 175.46 1x4x s SER 69 N -4.32 5.28 0.68 2.29 0.01 -1.26 -4.23 113.70 112.15 1x4x s SER 69 Ca 0.53 0.06 -0.14 0.00 1.31 0.00 0.00 55.95 57.71 1x4x s SER 69 Cb -0.10 -1.44 0.01 0.00 0.21 0.00 0.00 66.02 64.70 1x4x s SER 69 CO 0.33 0.30 1.11 -2.16 0.41 0.00 0.00 173.24 173.22 1x4x s PRO 70 N -1.45 2.71 -1.34 12.44 0.04 -1.12 -3.82 135.00 142.47 1x4x s PRO 70 Ca 0.19 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.57 1x4x s PRO 70 Cb -0.12 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1x4x s PRO 70 CO 0.09 -1.31 0.58 0.00 0.04 0.00 0.00 177.00 176.40 1x4x n ALA 71 N -2.59 -2.05 -2.87 8.56 0.00 0.11 -4.80 120.51 116.87 1x4x n ALA 71 Ca 0.10 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 1x4x n ALA 71 Cb 0.52 -1.90 -0.13 0.00 0.00 0.00 0.00 19.45 17.94 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 -3.79 0.17 0.19 0.00 2.01 -1.21 -4.94 115.64 108.08 1x4x s THR 72 Ca 0.03 -0.39 -0.19 0.00 0.31 0.00 0.00 61.69 61.45 1x4x s THR 72 Cb -0.01 -0.21 -0.08 0.00 0.01 0.00 0.00 72.50 72.21 1x4x s THR 72 CO 0.85 -0.14 0.68 -0.89 -0.69 0.00 0.00 174.62 174.43 1x4x s THR 73 N -0.53 4.62 0.20 -0.82 2.01 -1.26 -1.30 115.64 118.55 1x4x s THR 73 Ca -0.05 1.24 -0.03 0.00 0.31 0.00 0.00 61.69 63.16 1x4x s THR 73 Cb -0.04 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1x4x s THR 73 CO -0.00 0.29 0.19 -0.31 -0.69 0.00 0.00 174.62 174.09 1x4x s TYR 74 N -1.43 0.97 -0.01 4.92 2.02 0.13 -4.43 117.35 119.52 1x4x s TYR 74 Ca 0.40 -1.23 -0.11 0.00 -0.37 0.00 0.00 57.07 55.76 1x4x s TYR 74 Cb -0.17 -0.40 0.01 0.00 -0.40 0.00 0.00 41.96 40.99 1x4x s TYR 74 CO 0.21 -0.69 0.23 0.71 -1.57 0.00 0.00 175.55 174.43 1x4x s TYR 75 N -4.12 -0.07 -0.04 2.71 2.02 -1.10 -1.49 117.35 115.26 1x4x s TYR 75 Ca 0.34 0.07 -0.06 0.00 -0.37 0.00 0.00 57.07 57.05 1x4x s TYR 75 Cb 0.06 0.03 0.01 0.00 -0.40 0.00 0.00 41.96 41.65 1x4x s TYR 75 CO 0.10 -0.34 0.15 0.00 -1.57 0.00 0.00 175.55 173.89 1x4x s ARG 77 N -0.29 0.07 -0.06 0.00 1.70 -1.09 -2.70 118.95 116.58 1x4x s ARG 77 Ca -0.04 0.11 0.03 0.00 -0.47 0.00 0.00 55.73 55.37 1x4x s ARG 77 Cb -0.03 0.00 0.00 0.00 -0.57 0.00 0.00 34.95 34.36 1x4x s ARG 77 CO 0.01 -0.03 -0.16 0.54 -1.08 0.00 0.00 175.30 174.58 1x4x s VAL 78 N 0.17 1.35 0.21 4.99 0.11 -1.26 -2.47 120.40 123.50 1x4x s VAL 78 Ca -0.01 -0.64 0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1x4x s VAL 78 Cb -0.02 -1.19 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 1x4x s VAL 78 CO -0.00 0.40 -0.15 0.00 -3.33 0.00 0.00 175.10 172.01 1x4x s GLN 79 N 0.34 1.35 -0.22 1.54 -2.07 -1.23 -2.59 119.66 116.78 1x4x s GLN 79 Ca -0.10 -1.59 -0.08 0.00 -1.82 0.00 0.00 55.36 51.76 1x4x s GLN 79 Cb -0.14 -1.17 -0.04 0.00 -1.09 0.00 0.00 33.01 30.57 1x4x s GLN 79 CO 0.04 0.20 0.09 0.00 -1.32 0.00 0.00 175.29 174.30 1x4x s ALA 80 N -2.91 3.39 -0.16 2.60 0.00 -1.26 -3.61 121.76 119.80 1x4x s ALA 80 Ca 0.23 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.22 1x4x s ALA 80 Cb -0.01 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1x4x s ALA 80 CO 0.07 -0.13 0.04 -0.51 0.00 0.00 0.00 175.76 175.23 1x4x s LEU 81 N 0.94 3.69 0.00 0.00 1.02 -1.13 -1.40 118.68 121.80 1x4x s LEU 81 Ca 0.05 0.06 0.01 0.00 0.02 0.00 0.00 54.13 54.27 1x4x s LEU 81 Cb -0.14 -1.91 0.01 0.00 0.02 0.00 0.00 46.19 44.17 1x4x s LEU 81 CO 0.03 0.21 0.07 -1.54 0.02 0.00 0.00 176.35 175.13 1x4x n SER 82 N 3.31 2.83 -0.27 2.29 3.41 -1.23 0.05 113.62 124.01 1x4x n SER 82 Ca -0.17 -2.53 0.13 0.00 -0.26 0.00 0.00 58.87 56.05 1x4x n SER 82 Cb 0.53 0.19 0.45 0.00 -0.26 0.00 0.00 64.21 65.12 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 -1.01 0.00 0.58 -3.33 0.24 -1.26 -3.60 118.33 109.94 1x4x n VAL 83 Ca -0.12 -0.14 0.07 0.00 -2.04 0.00 0.00 64.34 62.11 1x4x n VAL 83 Cb 0.45 0.32 0.04 0.00 -1.47 0.00 0.00 33.84 33.18 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 -0.55 0.00 0.00 3.34 3.14 -1.26 -5.06 118.33 117.94 1x4x n VAL 84 Ca 0.14 -0.46 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1x4x n VAL 84 Cb 0.33 1.25 0.00 0.00 -1.06 0.00 0.00 33.84 34.36 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 0.85 4.71 3.74 7.55 0.00 -1.24 -4.85 105.19 115.96 1x4x n GLY 85 Ca 0.07 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.44 2.40 0.57 4.61 0.00 -1.26 -3.51 121.76 123.12 1x4x s ALA 86 Ca 0.00 1.09 0.09 0.00 0.00 0.00 0.00 51.96 53.14 1x4x s ALA 86 Cb 0.00 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.70 1x4x s ALA 86 CO 0.00 -1.48 0.72 0.20 0.00 0.00 0.00 175.76 175.20 1x4x s GLY 87 N -1.57 1.85 0.83 0.00 0.00 -0.50 -4.92 107.32 103.01 1x4x s GLY 87 Ca 0.79 -1.98 -0.11 0.00 0.00 0.00 0.00 44.72 43.43 1x4x s GLY 87 CO 0.38 -1.74 1.09 2.56 0.00 0.00 0.00 173.10 175.39 1x4x s PRO 88 N -4.60 1.80 0.47 2.90 0.04 -1.26 -4.67 135.00 129.69 1x4x s PRO 88 Ca 0.56 1.01 -0.04 0.00 0.04 0.00 0.00 61.00 62.58 1x4x s PRO 88 Cb -0.05 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1x4x s PRO 88 CO 0.36 -1.92 0.75 -0.06 0.04 0.00 0.00 177.00 176.17 1x4x s PHE 89 N -2.92 3.49 0.56 0.56 0.08 -1.26 -4.26 117.98 114.23 1x4x s PHE 89 Ca 0.62 0.67 -0.08 0.00 0.12 0.00 0.00 56.93 58.26 1x4x s PHE 89 Cb -0.17 -2.29 0.13 0.00 -0.57 0.00 0.00 43.02 40.11 1x4x s PHE 89 CO 0.56 -0.29 0.76 -1.13 -0.10 0.00 0.00 175.22 175.03 1x4x n SER 90 N -2.21 0.20 -4.64 1.36 3.41 -1.07 -4.67 113.62 106.00 1x4x n SER 90 Ca 0.00 -1.36 -0.43 0.00 -0.26 0.00 0.00 58.87 56.82 1x4x n SER 90 Cb 0.56 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1x4x n SER 90 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x4x s GLU 91 N -4.62 4.03 -0.30 4.33 0.41 -1.26 -4.84 118.70 116.45 1x4x s GLU 91 Ca 0.44 1.36 -0.40 0.00 -0.41 0.00 0.00 54.97 55.97 1x4x s GLU 91 Cb -0.01 -3.83 -0.15 0.00 -1.78 0.00 0.00 34.13 28.36 1x4x s GLU 91 CO 0.31 -0.97 1.82 0.28 -0.49 0.00 0.00 175.26 176.21 1x4x n VAL 92 N 5.91 0.28 -3.35 2.63 0.31 -1.26 -4.69 118.33 118.16 1x4x n VAL 92 Ca 0.14 -0.08 -0.45 0.00 -0.01 0.00 0.00 64.34 63.94 1x4x n VAL 92 Cb 0.46 -1.24 -0.06 0.00 -0.91 0.00 0.00 33.84 32.09 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 4.13 5.21 0.30 2.52 1.01 -1.10 -4.95 120.40 127.52 1x4x s VAL 93 Ca 1.01 -1.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 1x4x s VAL 93 Cb -1.07 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 30.97 1x4x s VAL 93 CO 0.64 -0.74 1.05 0.00 0.00 0.00 0.00 175.10 176.05 1x4x s ALA 94 N 1.62 3.32 -0.13 5.51 0.00 -1.26 -3.25 121.76 127.56 1x4x s ALA 94 Ca 0.03 0.79 -0.06 0.00 0.00 0.00 0.00 51.96 52.73 1x4x s ALA 94 Cb -0.28 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.61 1x4x s ALA 94 CO 0.05 -0.09 0.29 0.00 0.00 0.00 0.00 175.76 176.00 1x4x s VAL 96 N 1.78 4.07 0.54 0.00 1.01 -1.26 -0.70 120.40 125.84 1x4x s VAL 96 Ca -0.05 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 1x4x s VAL 96 Cb -0.11 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1x4x s VAL 96 CO -0.09 0.14 1.22 0.42 0.00 0.00 0.00 175.10 176.79 1x4x s THR 97 N 1.53 2.69 0.53 3.92 -4.23 -0.42 -4.85 115.64 114.81 1x4x s THR 97 Ca 0.04 0.48 -0.20 0.00 -1.18 0.00 0.00 61.69 60.82 1x4x s THR 97 Cb -0.17 -3.22 -0.06 0.00 1.34 0.00 0.00 72.50 70.39 1x4x s THR 97 CO 0.03 -0.05 1.14 -2.16 -0.54 0.00 0.00 174.62 173.03 1x4x s PRO 98 N -3.06 3.44 0.31 3.99 0.04 -1.26 -0.71 135.00 137.74 1x4x s PRO 98 Ca 0.72 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 1x4x s PRO 98 Cb -0.31 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 1x4x s PRO 98 CO 0.36 -0.79 1.23 -1.25 0.04 0.00 0.00 177.00 176.59 1x4x s PRO 99 N -3.17 4.47 -0.68 0.56 0.04 -1.26 -2.09 135.00 132.87 1x4x s PRO 99 Ca 0.71 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.72 1x4x s PRO 99 Cb -0.25 -3.12 0.18 0.00 0.04 0.00 0.00 34.50 31.35 1x4x s PRO 99 CO 0.28 -0.04 0.55 0.45 0.04 0.00 0.00 177.00 178.28 1x4x s SER 100 N -0.59 5.88 0.19 6.66 0.15 -1.26 -4.86 113.70 119.86 1x4x s SER 100 Ca 0.48 -2.65 -0.10 0.00 0.70 0.00 0.00 55.95 54.38 1x4x s SER 100 Cb -0.37 -2.01 0.12 0.00 -1.71 0.00 0.00 66.02 62.05 1x4x s SER 100 CO 0.48 -0.50 1.75 0.28 1.20 0.00 0.00 173.24 176.45 1x4x h SER 101 N 7.53 0.97 -2.54 5.45 0.02 -2.02 -3.48 113.55 119.47 1x4x h SER 101 Ca -0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1x4x h SER 101 Cb 1.00 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1x4x h SER 101 CO 0.75 0.88 0.00 0.61 -1.14 0.00 0.00 176.83 177.93 1x4x n GLY 102 N -0.84 4.77 3.77 -3.77 0.00 -1.26 -5.14 105.19 102.72 1x4x n GLY 102 Ca 0.05 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.23 2.29 -0.21 1.61 0.04 -1.26 -5.08 135.00 128.17 1x4x s PRO 103 Ca 0.00 1.19 -0.20 0.00 0.04 0.00 0.00 61.00 62.04 1x4x s PRO 103 Cb 0.00 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.69 1x4x s PRO 103 CO 0.00 -1.62 0.56 -1.12 0.04 0.00 0.00 177.00 174.87 1x4x s SER 104 N -3.31 -0.59 -0.36 6.66 0.01 -1.26 -5.06 113.70 109.80 1x4x s SER 104 Ca 0.62 1.13 0.06 0.00 1.31 0.00 0.00 55.95 59.06 1x4x s SER 104 Cb -0.17 1.14 0.45 0.00 0.21 0.00 0.00 66.02 67.65 1x4x s SER 104 CO 0.55 -0.20 1.25 -1.54 0.41 0.00 0.00 173.24 173.71 1x4x n SER 105 N 2.75 5.15 0.00 2.44 3.41 -1.26 -5.33 113.62 120.77 1x4x n SER 105 Ca -0.14 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.72 1x4x n SER 105 Cb 0.56 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1x4x n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49