#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4x n SER 2 N 0.00 1.95 -4.62 1.61 7.64 -1.26 -4.44 113.62 114.50 1x4x n SER 2 Ca 0.00 0.34 -0.49 0.00 1.01 0.00 0.00 58.87 59.73 1x4x n SER 2 Cb 0.00 -0.81 -0.05 0.00 -1.01 0.00 0.00 64.21 62.34 1x4x n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4x n SER 3 N -4.29 2.12 0.00 6.43 7.64 -1.26 -4.36 113.62 119.90 1x4x n SER 3 Ca -0.48 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1x4x n SER 3 Cb 0.82 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1x4x n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4x n GLY 4 N 2.63 2.19 3.36 0.23 0.00 -1.26 -4.73 105.19 107.62 1x4x n GLY 4 Ca 0.17 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.00 1.84 -0.66 1.61 0.01 -1.26 -5.10 113.70 106.13 1x4x s SER 5 Ca 0.00 -1.31 -0.26 0.00 1.31 0.00 0.00 55.95 55.69 1x4x s SER 5 Cb 0.00 0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.29 1x4x s SER 5 CO 0.00 -0.60 1.13 -0.55 0.41 0.00 0.00 173.24 173.63 1x4x s SER 6 N -3.37 6.24 0.00 2.44 0.15 -1.26 -4.83 113.70 113.08 1x4x s SER 6 Ca 0.33 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1x4x s SER 6 Cb 0.07 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1x4x s SER 6 CO 0.12 -1.58 0.00 0.61 1.20 0.00 0.00 173.24 173.59 1x4x n GLY 7 N 5.27 3.29 3.26 9.45 0.00 -1.26 -4.33 105.19 120.86 1x4x n GLY 7 Ca 0.02 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.70 -3.01 -1.98 1.61 -0.04 -1.26 -5.02 135.00 123.59 1x4x n PRO 8 Ca 0.00 -1.63 -0.31 0.00 -0.04 0.00 0.00 63.50 61.52 1x4x n PRO 8 Cb 0.00 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 -4.24 6.15 0.81 3.54 1.11 -1.26 -4.85 116.67 117.93 1x4x s ASP 9 Ca 0.66 1.53 -0.16 0.00 0.18 0.00 0.00 52.55 54.76 1x4x s ASP 9 Cb -0.07 -2.49 -0.09 0.00 1.07 0.00 0.00 42.92 41.35 1x4x s ASP 9 CO 0.51 -0.92 -0.09 1.67 1.18 0.00 0.00 175.17 177.52 1x4x n GLN 10 N -2.43 0.04 -4.29 8.23 7.27 -1.26 -4.87 117.38 120.07 1x4x n GLN 10 Ca 0.07 0.03 -0.34 0.00 0.07 0.00 0.00 57.00 56.83 1x4x n GLN 10 Cb 0.54 -1.38 -0.11 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 0.21 2.79 0.24 0.00 3.01 -1.26 -3.81 119.74 120.92 1x4x s LYS 12 Ca -0.00 1.63 -0.30 0.00 -1.01 0.00 0.00 55.97 56.29 1x4x s LYS 12 Cb -0.13 -1.93 -0.09 0.00 -1.01 0.00 0.00 37.83 34.67 1x4x s LYS 12 CO 0.02 -1.30 1.28 -1.25 0.51 0.00 0.00 175.35 174.61 1x4x s PRO 13 N -3.70 4.42 0.96 -1.68 0.04 -1.26 -4.71 135.00 129.06 1x4x s PRO 13 Ca 0.72 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.70 1x4x s PRO 13 Cb -0.26 -3.17 0.17 0.00 0.04 0.00 0.00 34.50 31.28 1x4x s PRO 13 CO 0.37 -0.18 1.09 -1.25 0.04 0.00 0.00 177.00 177.08 1x4x s PRO 14 N -0.65 0.72 -0.30 0.56 0.04 -1.26 -4.93 135.00 129.18 1x4x s PRO 14 Ca 0.53 0.63 -0.09 0.00 0.04 0.00 0.00 61.00 62.11 1x4x s PRO 14 Cb -0.36 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1x4x s PRO 14 CO 0.42 -2.56 0.15 -1.14 0.04 0.00 0.00 177.00 173.90 1x4x s GLN 15 N -4.95 3.38 -0.19 4.56 0.74 0.99 -4.84 119.66 119.35 1x4x s GLN 15 Ca 0.65 -0.68 -0.17 0.00 0.05 0.00 0.00 55.36 55.20 1x4x s GLN 15 Cb -0.18 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.34 1x4x s GLN 15 CO 0.57 -0.39 0.44 0.14 -0.55 0.00 0.00 175.29 175.50 1x4x s VAL 16 N 1.62 5.17 -0.46 1.34 -7.23 -1.26 -2.42 120.40 117.16 1x4x s VAL 16 Ca 0.05 0.79 0.03 0.00 -1.81 0.00 0.00 61.98 61.04 1x4x s VAL 16 Cb -0.17 -3.77 0.13 0.00 0.56 0.00 0.00 36.38 33.14 1x4x s VAL 16 CO 0.06 0.24 0.25 -0.89 -0.31 0.00 0.00 175.10 174.45 1x4x s THR 17 N 1.33 1.71 -1.02 5.32 2.01 -0.53 -4.97 115.64 119.49 1x4x s THR 17 Ca 0.21 -2.76 -0.26 0.00 0.31 0.00 0.00 61.69 59.19 1x4x s THR 17 Cb -0.15 -2.19 -0.19 0.00 0.01 0.00 0.00 72.50 69.98 1x4x s THR 17 CO 0.09 -0.87 2.17 0.00 -0.69 0.00 0.00 174.62 175.31 1x4x h ARG 19 N 11.72 0.24 0.00 0.00 3.08 -1.80 -3.44 114.38 124.17 1x4x h ARG 19 Ca 0.03 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 1x4x h ARG 19 Cb 0.99 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 1x4x h ARG 19 CO 1.03 0.16 -0.01 0.43 -1.07 0.00 0.00 179.97 180.51 1x4x n SER 20 N -4.49 -1.06 0.18 7.04 7.64 -1.06 -4.96 113.62 116.91 1x4x n SER 20 Ca 0.26 -2.15 0.03 0.00 1.01 0.00 0.00 58.87 58.02 1x4x n SER 20 Cb 1.03 1.88 0.42 0.00 -1.01 0.00 0.00 64.21 66.53 1x4x n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4x h ALA 21 N 1.88 1.53 0.00 -0.43 0.00 -1.85 -2.94 119.26 117.44 1x4x h ALA 21 Ca -0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1x4x h ALA 21 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1x4x h ALA 21 CO 0.25 0.35 -0.28 0.25 0.00 0.00 0.00 179.25 179.81 1x4x n THR 22 N -4.23 1.89 -4.10 0.00 -2.24 -1.26 -3.33 114.28 101.00 1x4x n THR 22 Ca -0.02 -2.57 -0.16 0.00 -2.27 0.00 0.00 64.05 59.04 1x4x n THR 22 Cb 0.31 -0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.10 -0.73 -0.04 0.00 0.00 0.20 -2.27 121.76 119.03 1x4x s ALA 24 Ca -0.01 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.43 1x4x s ALA 24 Cb -0.04 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1x4x s ALA 24 CO -0.00 -0.21 -0.07 -1.14 0.00 0.00 0.00 175.76 174.33 1x4x s GLN 25 N -0.82 1.03 0.11 0.00 0.74 -1.14 0.17 119.66 119.75 1x4x s GLN 25 Ca -0.09 -0.21 0.04 0.00 0.05 0.00 0.00 55.36 55.16 1x4x s GLN 25 Cb -0.04 -0.96 -0.04 0.00 1.10 0.00 0.00 33.01 33.07 1x4x s GLN 25 CO 0.03 -0.02 0.06 0.08 -0.55 0.00 0.00 175.29 174.89 1x4x s VAL 26 N 0.70 4.31 -0.17 1.34 1.01 -0.51 -1.45 120.40 125.63 1x4x s VAL 26 Ca -0.11 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 1x4x s VAL 26 Cb -0.14 -3.11 0.08 0.00 0.00 0.00 0.00 36.38 33.22 1x4x s VAL 26 CO 0.01 0.05 0.30 0.20 0.00 0.00 0.00 175.10 175.66 1x4x s ASN 27 N -2.57 0.38 0.45 3.32 -0.87 -1.02 -2.61 114.94 112.03 1x4x s ASN 27 Ca 0.28 0.50 0.01 0.00 -1.57 0.00 0.00 52.86 52.08 1x4x s ASN 27 Cb -0.11 0.82 0.01 0.00 -0.02 0.00 0.00 41.25 41.95 1x4x s ASN 27 CO 0.21 -0.26 0.11 -2.67 -2.57 0.00 0.00 177.10 171.92 1x4x n TRP 28 N 5.36 0.50 -4.23 2.20 2.14 -1.08 -0.00 117.44 122.32 1x4x n TRP 28 Ca -0.06 -2.13 -0.14 0.00 2.07 0.00 0.00 57.50 57.24 1x4x n TRP 28 Cb 0.50 -0.32 -0.10 0.00 -0.81 0.00 0.00 31.31 30.58 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 -3.71 1.34 -0.21 -2.67 2.02 -1.26 -4.85 118.70 109.35 1x4x s GLU 29 Ca 0.08 -1.73 -0.09 0.00 0.02 0.00 0.00 54.97 53.26 1x4x s GLU 29 Cb -0.01 0.24 -0.04 0.00 0.10 0.00 0.00 34.13 34.43 1x4x s GLU 29 CO 0.05 -0.44 0.10 0.08 0.02 0.00 0.00 175.26 175.07 1x4x s VAL 30 N -3.97 4.94 1.14 2.63 1.01 -1.26 -4.79 120.40 120.10 1x4x s VAL 30 Ca 0.39 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 1x4x s VAL 30 Cb 0.06 -3.27 0.26 0.00 0.00 0.00 0.00 36.38 33.43 1x4x s VAL 30 CO 0.16 0.40 1.10 -2.16 0.00 0.00 0.00 175.10 174.60 1x4x s PRO 31 N 0.79 -0.71 -0.43 2.72 0.04 -1.26 -4.95 135.00 131.20 1x4x s PRO 31 Ca 0.05 0.13 -0.29 0.00 0.04 0.00 0.00 61.00 60.93 1x4x s PRO 31 Cb -0.13 -1.64 0.02 0.00 0.04 0.00 0.00 34.50 32.79 1x4x s PRO 31 CO 0.02 -3.41 1.27 -1.17 0.04 0.00 0.00 177.00 173.75 1x4x s LEU 32 N -6.80 3.64 -0.29 -3.56 2.96 -1.26 -4.98 118.68 108.39 1x4x s LEU 32 Ca 0.69 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.30 1x4x s LEU 32 Cb -0.13 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.11 1x4x s LEU 32 CO 0.57 -1.31 0.06 -0.44 -1.32 0.00 0.00 176.35 173.90 1x4x s SER 33 N 3.12 4.01 -0.88 3.68 0.01 -1.26 -4.34 113.70 118.05 1x4x s SER 33 Ca 0.54 -1.57 -0.18 0.00 1.31 0.00 0.00 55.95 56.05 1x4x s SER 33 Cb -0.11 -1.02 0.14 0.00 0.21 0.00 0.00 66.02 65.25 1x4x s SER 33 CO 0.31 -0.37 1.03 0.20 0.41 0.00 0.00 173.24 174.82 1x4x s ASN 34 N 1.49 6.61 0.00 2.44 0.01 -1.26 -4.51 114.94 119.71 1x4x s ASN 34 Ca 0.06 -2.07 0.00 0.00 -0.71 0.00 0.00 52.86 50.14 1x4x s ASN 34 Cb -0.18 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.12 1x4x s ASN 34 CO -0.18 -1.00 0.00 0.61 -1.51 0.00 0.00 177.10 175.03 1x4x n GLY 35 N 5.21 1.34 3.89 0.66 0.00 -1.26 -5.10 105.19 109.93 1x4x n GLY 35 Ca 0.19 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1x4x n GLY 35 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x4x s THR 36 N 0.00 5.38 0.18 2.61 -1.32 -1.26 -5.11 115.64 116.12 1x4x s THR 36 Ca 0.00 0.03 0.05 0.00 -1.21 0.00 0.00 61.69 60.56 1x4x s THR 36 Cb 0.00 -3.54 -0.04 0.00 -1.51 0.00 0.00 72.50 67.42 1x4x s THR 36 CO 0.00 0.37 0.14 -1.81 -2.21 0.00 0.00 174.62 171.11 1x4x s ASP 37 N -1.74 5.49 -0.27 8.08 1.01 -1.26 -4.80 116.67 123.19 1x4x s ASP 37 Ca 0.26 -0.16 -0.29 0.00 0.71 0.00 0.00 52.55 53.07 1x4x s ASP 37 Cb -0.13 -1.42 -0.03 0.00 1.01 0.00 0.00 42.92 42.36 1x4x s ASP 37 CO 0.16 0.05 1.78 -0.69 0.21 0.00 0.00 175.17 176.68 1x4x s VAL 38 N -1.82 3.49 0.11 -1.27 1.01 -1.26 -4.69 120.40 115.98 1x4x s VAL 38 Ca 0.31 0.52 -0.18 0.00 0.00 0.00 0.00 61.98 62.63 1x4x s VAL 38 Cb -0.10 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1x4x s VAL 38 CO 0.23 -0.32 1.69 0.71 0.00 0.00 0.00 175.10 177.41 1x4x h THR 39 N 6.57 1.15 -3.71 3.92 1.35 -0.76 -3.47 112.91 117.95 1x4x h THR 39 Ca -0.35 -0.43 -0.08 0.00 -0.55 0.00 0.00 66.41 65.00 1x4x h THR 39 Cb 1.17 0.93 -0.12 0.00 -1.73 0.00 0.00 68.15 68.40 1x4x h THR 39 CO 1.01 0.15 -0.21 -1.83 -0.25 0.00 0.00 175.52 174.39 1x4x s GLU 40 N -5.71 1.24 -0.15 4.72 -1.05 -1.24 -4.59 118.70 111.92 1x4x s GLU 40 Ca -0.13 -1.09 0.00 0.00 -0.15 0.00 0.00 54.97 53.60 1x4x s GLU 40 Cb 0.09 0.42 0.02 0.00 -0.44 0.00 0.00 34.13 34.22 1x4x s GLU 40 CO 0.72 -0.48 -0.14 0.71 0.95 0.00 0.00 175.26 177.02 1x4x s TYR 41 N -3.94 2.21 -0.43 4.83 1.51 -0.72 -2.45 117.35 118.35 1x4x s TYR 41 Ca 0.15 -1.26 -0.18 0.00 -1.01 0.00 0.00 57.07 54.77 1x4x s TYR 41 Cb 0.02 -1.61 0.03 0.00 -0.11 0.00 0.00 41.96 40.28 1x4x s TYR 41 CO -0.00 -0.68 0.49 1.03 -1.11 0.00 0.00 175.55 175.27 1x4x s ARG 42 N 1.47 3.13 -0.28 -0.62 0.52 -1.23 -2.35 118.95 119.60 1x4x s ARG 42 Ca 0.05 -0.70 -0.05 0.00 -0.52 0.00 0.00 55.73 54.50 1x4x s ARG 42 Cb -0.13 -3.98 0.01 0.00 0.52 0.00 0.00 34.95 31.38 1x4x s ARG 42 CO -0.11 -0.91 0.04 -1.17 0.02 0.00 0.00 175.30 173.17 1x4x s LEU 43 N 2.29 3.61 -0.00 2.53 2.96 0.30 -3.30 118.68 127.07 1x4x s LEU 43 Ca 0.14 -0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 1x4x s LEU 43 Cb -0.17 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1x4x s LEU 43 CO 0.14 -0.16 0.19 -1.61 -1.32 0.00 0.00 176.35 173.60 1x4x s GLU 44 N 1.46 3.45 -0.19 1.98 8.01 -1.17 -0.18 118.70 132.06 1x4x s GLU 44 Ca 0.02 -0.31 -0.04 0.00 0.01 0.00 0.00 54.97 54.65 1x4x s GLU 44 Cb -0.17 -3.09 0.08 0.00 -4.31 0.00 0.00 34.13 26.65 1x4x s GLU 44 CO 0.00 0.67 0.19 -0.46 0.01 0.00 0.00 175.26 175.67 1x4x s TRP 45 N -1.34 -0.15 -0.04 1.61 -0.11 -1.00 -3.08 118.94 114.81 1x4x s TRP 45 Ca 0.28 0.11 -0.02 0.00 1.22 0.00 0.00 56.10 57.69 1x4x s TRP 45 Cb -0.13 -0.44 0.03 0.00 -1.50 0.00 0.00 33.47 31.43 1x4x s TRP 45 CO 0.19 -0.56 0.10 0.20 -4.62 0.00 0.00 176.95 172.26 1x4x s GLY 46 N 2.28 -0.01 0.20 5.86 0.00 -1.19 -4.42 107.32 110.04 1x4x s GLY 46 Ca 0.05 0.45 -0.19 0.00 0.00 0.00 0.00 44.72 45.04 1x4x s GLY 46 CO -0.11 0.69 1.47 0.61 0.00 0.00 0.00 173.10 175.76 1x4x n GLY 47 N 3.86 -2.06 3.53 0.20 0.00 -1.26 -2.98 105.19 106.48 1x4x n GLY 47 Ca -0.23 1.08 -0.36 0.00 0.00 0.00 0.00 46.02 46.51 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 -5.80 4.54 0.52 1.61 1.01 -1.26 -3.40 120.40 117.62 1x4x s VAL 48 Ca -0.13 -0.10 0.33 0.00 0.00 0.00 0.00 61.98 62.08 1x4x s VAL 48 Cb 0.17 -3.09 0.51 0.00 0.00 0.00 0.00 36.38 33.97 1x4x s VAL 48 CO 0.66 0.38 1.83 1.05 0.00 0.00 0.00 175.10 179.02 1x4x h GLU 49 N 7.58 0.05 -0.29 2.72 4.11 -1.96 0.32 114.58 127.11 1x4x h GLU 49 Ca -0.37 -0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.10 1x4x h GLU 49 Cb 1.18 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1x4x h GLU 49 CO 0.62 0.03 0.20 0.78 0.07 0.00 0.00 179.01 180.71 1x4x h GLY 50 N 0.05 0.26 -7.28 1.06 0.00 -1.93 -3.37 103.07 91.86 1x4x h GLY 50 Ca 0.52 -0.09 -0.56 0.00 0.00 0.00 0.00 47.33 47.20 1x4x h GLY 50 CO -0.04 0.08 -0.76 -0.45 0.00 0.00 0.00 176.54 175.36 1x4x s SER 51 N -6.71 3.50 0.22 0.19 0.15 0.11 -5.13 113.70 106.04 1x4x s SER 51 Ca -0.06 -1.20 0.07 0.00 0.70 0.00 0.00 55.95 55.46 1x4x s SER 51 Cb 0.18 -0.79 -0.05 0.00 -1.71 0.00 0.00 66.02 63.65 1x4x s SER 51 CO 0.71 -0.34 -0.11 -0.04 1.20 0.00 0.00 173.24 174.66 1x4x s MET 52 N 1.70 1.36 0.06 5.44 -1.94 -1.26 -4.34 119.30 120.32 1x4x s MET 52 Ca 0.03 -1.63 -0.10 0.00 -1.71 0.00 0.00 55.69 52.27 1x4x s MET 52 Cb -0.17 -1.04 0.01 0.00 2.01 0.00 0.00 34.83 35.63 1x4x s MET 52 CO -0.15 0.12 0.22 -0.65 -0.01 0.00 0.00 175.02 174.54 1x4x s GLN 53 N -3.69 0.78 -0.37 2.03 -0.21 -1.26 -4.99 119.66 111.94 1x4x s GLN 53 Ca 0.24 -0.73 -0.29 0.00 0.02 0.00 0.00 55.36 54.60 1x4x s GLN 53 Cb 0.01 0.32 -0.08 0.00 1.00 0.00 0.00 33.01 34.26 1x4x s GLN 53 CO 0.08 -0.24 2.30 -0.89 -2.12 0.00 0.00 175.29 174.41 1x4x n ILE 54 N 0.38 0.17 -0.03 1.08 2.08 -1.26 -2.38 119.36 119.40 1x4x n ILE 54 Ca -0.17 -0.48 -0.20 0.00 0.56 0.00 0.00 62.75 62.45 1x4x n ILE 54 Cb 0.60 -2.29 -0.13 0.00 -0.75 0.00 0.00 39.64 37.07 1x4x n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x4x s TYR 56 N -2.41 -0.11 -0.14 0.00 5.04 -0.12 -5.02 117.35 114.59 1x4x s TYR 56 Ca -0.21 0.36 -0.01 0.00 -2.44 0.00 0.00 57.07 54.77 1x4x s TYR 56 Cb 0.03 -0.08 0.04 0.00 0.35 0.00 0.00 41.96 42.31 1x4x s TYR 56 CO 0.72 -0.12 -0.03 0.00 -1.34 0.00 0.00 175.55 174.78 1x4x n GLY 58 N 4.98 0.51 0.24 0.00 0.00 -0.99 -4.93 105.19 104.99 1x4x n GLY 58 Ca -0.10 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.04 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 -6.27 1.61 0.13 -1.88 -1.92 132.00 123.68 1x4x h PRO 59 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.19 -1.73 0.41 -0.23 0.00 0.00 178.00 176.63 1x4x n GLY 60 N -0.06 -3.32 0.00 1.56 0.00 -1.26 -4.87 105.19 97.24 1x4x n GLY 60 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.69 0.65 -3.90 0.99 4.77 -1.26 -4.87 117.00 115.06 1x4x n LEU 61 Ca 0.00 -0.79 -0.16 0.00 -0.03 0.00 0.00 56.01 55.03 1x4x n LEU 61 Cb 0.62 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.56 1x4x n LEU 61 CO 0.50 0.16 -0.39 -0.94 -1.33 0.00 0.00 177.39 175.39 1x4x s SER 62 N -0.28 0.52 -0.12 -1.43 1.04 -1.26 -2.64 113.70 109.53 1x4x s SER 62 Ca 0.00 -0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.32 1x4x s SER 62 Cb 0.00 -0.15 0.06 0.00 0.10 0.00 0.00 66.02 66.03 1x4x s SER 62 CO 0.00 0.00 0.15 -0.47 0.98 0.00 0.00 173.24 173.90 1x4x s TYR 63 N 0.31 -0.10 -0.42 5.02 5.04 -1.07 -5.05 117.35 121.08 1x4x s TYR 63 Ca -0.03 0.30 -0.21 0.00 -2.44 0.00 0.00 57.07 54.69 1x4x s TYR 63 Cb -0.06 -0.39 0.02 0.00 0.35 0.00 0.00 41.96 41.87 1x4x s TYR 63 CO -0.01 -0.38 0.67 -2.00 -1.34 0.00 0.00 175.55 172.49 1x4x s GLU 64 N 2.26 3.42 0.16 4.97 2.12 -1.26 -1.42 118.70 128.95 1x4x s GLU 64 Ca 0.04 -0.19 -0.12 0.00 0.36 0.00 0.00 54.97 55.05 1x4x s GLU 64 Cb -0.14 -3.91 -0.07 0.00 0.26 0.00 0.00 34.13 30.28 1x4x s GLU 64 CO -0.07 -0.96 0.53 0.42 -0.54 0.00 0.00 175.26 174.64 1x4x s ILE 65 N 2.89 4.91 0.26 -3.70 1.01 0.45 -4.96 121.20 122.05 1x4x s ILE 65 Ca 0.25 0.67 -0.04 0.00 0.00 0.00 0.00 60.65 61.54 1x4x s ILE 65 Cb -0.14 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1x4x s ILE 65 CO 0.19 0.15 0.31 -0.54 0.00 0.00 0.00 174.94 175.05 1x4x s LYS 66 N -2.22 1.50 -0.25 2.79 1.02 -1.26 -0.62 119.74 120.70 1x4x s LYS 66 Ca 0.40 -1.60 -0.02 0.00 0.02 0.00 0.00 55.97 54.78 1x4x s LYS 66 Cb -0.14 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 1x4x s LYS 66 CO 0.20 -0.57 0.22 0.41 -0.92 0.00 0.00 175.35 174.69 1x4x n GLY 67 N -0.40 0.66 3.94 -3.33 0.00 -0.72 -4.97 105.19 100.37 1x4x n GLY 67 Ca 0.01 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.22 3.62 -0.05 0.99 1.43 -0.90 -5.04 118.68 116.51 1x4x s LEU 68 Ca 0.11 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1x4x s LEU 68 Cb -0.05 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 1x4x s LEU 68 CO 0.14 -0.62 0.01 -0.55 0.23 0.00 0.00 176.35 175.56 1x4x s SER 69 N -4.20 5.28 0.59 2.29 0.15 -1.26 -4.20 113.70 112.35 1x4x s SER 69 Ca 0.49 0.10 -0.17 0.00 0.70 0.00 0.00 55.95 57.07 1x4x s SER 69 Cb -0.07 -1.46 -0.03 0.00 -1.71 0.00 0.00 66.02 62.75 1x4x s SER 69 CO 0.30 0.33 1.12 -2.16 1.20 0.00 0.00 173.24 174.03 1x4x s PRO 70 N -1.23 3.11 -1.21 5.44 0.04 -1.21 -3.87 135.00 136.07 1x4x s PRO 70 Ca 0.17 1.51 -0.05 0.00 0.04 0.00 0.00 61.00 62.66 1x4x s PRO 70 Cb -0.11 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1x4x s PRO 70 CO 0.07 -1.02 0.80 0.00 0.04 0.00 0.00 177.00 176.88 1x4x n ALA 71 N -1.80 -2.21 -3.29 8.56 0.00 -0.44 -4.85 120.51 116.48 1x4x n ALA 71 Ca 0.11 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1x4x n ALA 71 Cb 0.51 -3.16 -0.13 0.00 0.00 0.00 0.00 19.45 16.67 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 -3.54 -0.02 0.43 0.00 2.01 -1.25 -4.96 115.64 108.32 1x4x s THR 72 Ca 0.18 0.06 -0.23 0.00 0.31 0.00 0.00 61.69 62.01 1x4x s THR 72 Cb -0.04 -0.25 -0.09 0.00 0.01 0.00 0.00 72.50 72.13 1x4x s THR 72 CO 0.80 0.03 1.05 -0.89 -0.69 0.00 0.00 174.62 174.91 1x4x s THR 73 N 0.49 3.75 0.01 -0.82 2.01 -1.26 -2.23 115.64 117.59 1x4x s THR 73 Ca -0.03 1.25 -0.14 0.00 0.31 0.00 0.00 61.69 63.08 1x4x s THR 73 Cb -0.05 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.88 1x4x s THR 73 CO -0.02 -0.08 0.29 -0.31 -0.69 0.00 0.00 174.62 173.81 1x4x s TYR 74 N -1.77 -0.12 0.16 4.92 2.02 0.99 -4.34 117.35 119.22 1x4x s TYR 74 Ca 0.61 0.08 0.01 0.00 -0.37 0.00 0.00 57.07 57.40 1x4x s TYR 74 Cb -0.20 0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.39 1x4x s TYR 74 CO 0.25 -0.43 0.01 0.71 -1.57 0.00 0.00 175.55 174.52 1x4x s TYR 75 N -1.94 1.11 -0.24 2.71 1.51 -1.16 -0.04 117.35 119.29 1x4x s TYR 75 Ca -0.09 -1.07 -0.16 0.00 -1.01 0.00 0.00 57.07 54.74 1x4x s TYR 75 Cb -0.03 -0.63 0.07 0.00 -0.11 0.00 0.00 41.96 41.25 1x4x s TYR 75 CO 0.00 -0.28 0.61 0.00 -1.11 0.00 0.00 175.55 174.78 1x4x s ARG 77 N 1.23 1.03 -0.04 0.00 1.70 -1.18 -3.18 118.95 118.52 1x4x s ARG 77 Ca -0.07 -0.08 0.01 0.00 -0.47 0.00 0.00 55.73 55.12 1x4x s ARG 77 Cb -0.06 -1.21 -0.03 0.00 -0.57 0.00 0.00 34.95 33.08 1x4x s ARG 77 CO -0.13 -0.25 -0.02 0.54 -1.08 0.00 0.00 175.30 174.36 1x4x s VAL 78 N 1.71 4.04 0.08 4.99 0.11 -1.26 -3.05 120.40 127.02 1x4x s VAL 78 Ca 0.03 -0.49 0.02 0.00 -2.93 0.00 0.00 61.98 58.60 1x4x s VAL 78 Cb -0.13 -2.73 -0.04 0.00 -1.53 0.00 0.00 36.38 31.95 1x4x s VAL 78 CO -0.05 0.49 -0.07 0.00 -3.33 0.00 0.00 175.10 172.14 1x4x s GLN 79 N -1.18 0.74 -0.25 1.54 -2.07 -1.21 -2.83 119.66 114.40 1x4x s GLN 79 Ca 0.16 -1.19 -0.09 0.00 -1.82 0.00 0.00 55.36 52.42 1x4x s GLN 79 Cb -0.11 -0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 31.58 1x4x s GLN 79 CO 0.06 -0.01 0.13 0.00 -1.32 0.00 0.00 175.29 174.15 1x4x s ALA 80 N -3.12 3.41 -0.15 2.60 0.00 -1.26 -3.48 121.76 119.76 1x4x s ALA 80 Ca 0.06 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 1x4x s ALA 80 Cb 0.02 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 1x4x s ALA 80 CO -0.04 -0.41 0.11 -0.51 0.00 0.00 0.00 175.76 174.91 1x4x s LEU 81 N 1.48 4.14 0.00 0.00 1.02 -1.03 -2.23 118.68 122.06 1x4x s LEU 81 Ca 0.06 0.29 0.00 0.00 0.02 0.00 0.00 54.13 54.51 1x4x s LEU 81 Cb -0.15 -2.03 0.00 0.00 0.02 0.00 0.00 46.19 44.04 1x4x s LEU 81 CO 0.07 0.30 0.02 -1.54 0.02 0.00 0.00 176.35 175.22 1x4x n SER 82 N 2.72 2.65 0.00 2.29 3.41 -1.08 -0.01 113.62 123.59 1x4x n SER 82 Ca -0.18 -2.16 0.12 0.00 -0.26 0.00 0.00 58.87 56.39 1x4x n SER 82 Cb 0.53 0.16 0.24 0.00 -0.26 0.00 0.00 64.21 64.89 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 0.01 0.18 -3.33 0.24 -1.26 -3.83 118.33 109.61 1x4x n VAL 83 Ca -0.10 -0.01 0.11 0.00 -2.04 0.00 0.00 64.34 62.30 1x4x n VAL 83 Cb 0.34 0.24 -0.16 0.00 -1.47 0.00 0.00 33.84 32.79 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 -1.52 0.00 0.00 3.34 3.14 -1.26 -5.07 118.33 116.95 1x4x n VAL 84 Ca 0.05 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1x4x n VAL 84 Cb 0.34 0.19 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 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 1.31 -0.49 3.48 7.55 0.00 -1.25 -4.94 105.19 110.85 1x4x n GLY 85 Ca -0.02 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.55 0.47 4.61 0.00 -1.26 -2.65 121.76 120.38 1x4x s ALA 86 Ca 0.00 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.42 1x4x s ALA 86 Cb 0.00 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1x4x s ALA 86 CO 0.00 -0.81 0.39 0.20 0.00 0.00 0.00 175.76 175.55 1x4x s GLY 87 N -2.77 2.22 1.07 0.00 0.00 -0.95 -4.68 107.32 102.21 1x4x s GLY 87 Ca 0.02 -1.71 -0.15 0.00 0.00 0.00 0.00 44.72 42.89 1x4x s GLY 87 CO -0.10 -1.81 1.10 2.56 0.00 0.00 0.00 173.10 174.85 1x4x s PRO 88 N -4.19 -0.17 -0.13 2.90 0.04 -1.26 -4.70 135.00 127.50 1x4x s PRO 88 Ca 0.43 0.31 -0.13 0.00 0.04 0.00 0.00 61.00 61.65 1x4x s PRO 88 Cb -0.02 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.79 1x4x s PRO 88 CO 0.26 -3.09 0.29 -0.06 0.04 0.00 0.00 177.00 174.44 1x4x s PHE 89 N -2.98 3.53 1.17 0.56 0.08 -1.26 -4.53 117.98 114.55 1x4x s PHE 89 Ca 0.67 0.65 -0.17 0.00 0.12 0.00 0.00 56.93 58.20 1x4x s PHE 89 Cb -0.16 -2.27 0.24 0.00 -0.57 0.00 0.00 43.02 40.26 1x4x s PHE 89 CO 0.57 0.38 0.52 -1.13 -0.10 0.00 0.00 175.22 175.46 1x4x n SER 90 N 3.03 -3.29 -4.62 1.36 3.41 -1.13 -4.82 113.62 107.56 1x4x n SER 90 Ca -0.13 -0.52 -0.43 0.00 -0.26 0.00 0.00 58.87 57.53 1x4x n SER 90 Cb 0.52 -0.88 -0.02 0.00 -0.26 0.00 0.00 64.21 63.57 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 -4.02 3.74 -0.48 4.33 2.02 -1.26 -4.86 118.70 118.18 1x4x s GLU 91 Ca 0.49 1.42 -0.45 0.00 0.02 0.00 0.00 54.97 56.44 1x4x s GLU 91 Cb -0.09 -4.01 -0.19 0.00 0.10 0.00 0.00 34.13 29.94 1x4x s GLU 91 CO 0.44 -1.35 1.79 0.28 0.02 0.00 0.00 175.26 176.44 1x4x n VAL 92 N 6.56 0.03 -3.31 2.63 0.31 -1.26 -4.73 118.33 118.56 1x4x n VAL 92 Ca 0.18 -0.01 -0.44 0.00 -0.01 0.00 0.00 64.34 64.06 1x4x n VAL 92 Cb 0.46 -0.58 -0.08 0.00 -0.91 0.00 0.00 33.84 32.73 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 4.09 5.10 0.39 2.52 1.01 -1.19 -4.96 120.40 127.37 1x4x s VAL 93 Ca 1.09 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 1x4x s VAL 93 Cb -1.45 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 30.68 1x4x s VAL 93 CO 0.75 -0.60 0.94 0.00 0.00 0.00 0.00 175.10 176.20 1x4x s ALA 94 N 2.03 3.10 -0.29 5.51 0.00 -1.26 -3.17 121.76 127.68 1x4x s ALA 94 Ca 0.09 0.43 -0.14 0.00 0.00 0.00 0.00 51.96 52.34 1x4x s ALA 94 Cb -0.21 -3.15 0.11 0.00 0.00 0.00 0.00 23.12 19.87 1x4x s ALA 94 CO 0.10 0.15 0.73 0.00 0.00 0.00 0.00 175.76 176.73 1x4x s VAL 96 N 2.01 3.14 0.61 0.00 1.01 -1.26 -0.01 120.40 125.91 1x4x s VAL 96 Ca -0.08 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 1x4x s VAL 96 Cb -0.07 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1x4x s VAL 96 CO -0.19 0.46 1.22 0.42 0.00 0.00 0.00 175.10 177.01 1x4x s THR 97 N 1.23 2.54 0.57 3.92 -4.23 -0.95 -4.85 115.64 113.86 1x4x s THR 97 Ca 0.03 0.32 -0.18 0.00 -1.18 0.00 0.00 61.69 60.68 1x4x s THR 97 Cb -0.14 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.56 1x4x s THR 97 CO -0.03 -0.08 1.12 -2.16 -0.54 0.00 0.00 174.62 172.93 1x4x s PRO 98 N -3.41 3.23 0.24 3.99 0.04 -1.26 -1.32 135.00 136.51 1x4x s PRO 98 Ca 0.78 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 1x4x s PRO 98 Cb -0.31 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 1x4x s PRO 98 CO 0.35 -0.93 1.27 -1.25 0.04 0.00 0.00 177.00 176.48 1x4x s PRO 99 N -3.47 4.42 -1.05 0.56 0.04 -1.26 -2.85 135.00 131.39 1x4x s PRO 99 Ca 0.71 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.69 1x4x s PRO 99 Cb -0.23 -3.17 0.25 0.00 0.04 0.00 0.00 34.50 31.39 1x4x s PRO 99 CO 0.30 -0.16 1.06 0.45 0.04 0.00 0.00 177.00 178.69 1x4x s SER 100 N -0.03 7.17 -0.23 6.66 0.15 -1.26 -4.92 113.70 121.23 1x4x s SER 100 Ca 0.53 -3.31 -0.03 0.00 0.70 0.00 0.00 55.95 53.84 1x4x s SER 100 Cb -0.36 -2.23 0.11 0.00 -1.71 0.00 0.00 66.02 61.83 1x4x s SER 100 CO 0.42 -0.41 0.26 -0.55 1.20 0.00 0.00 173.24 174.17 1x4x s SER 101 N 1.68 1.28 0.00 5.45 0.15 -1.26 -5.10 113.70 115.90 1x4x s SER 101 Ca 0.29 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1x4x s SER 101 Cb -0.09 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1x4x s SER 101 CO -0.08 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1x4x n GLY 102 N 5.32 3.86 0.22 9.45 0.00 -1.26 -4.99 105.19 117.80 1x4x n GLY 102 Ca -0.04 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.55 1x4x n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4x h PRO 103 N 0.00 0.00 -6.01 1.61 0.13 -2.00 -3.44 132.00 122.29 1x4x h PRO 103 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1x4x h PRO 103 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1x4x h PRO 103 CO 0.00 0.24 -0.47 0.45 -0.23 0.00 0.00 178.00 177.99 1x4x s SER 104 N -6.27 6.35 0.21 1.44 0.15 -1.26 -5.01 113.70 109.30 1x4x s SER 104 Ca -0.01 0.20 -0.09 0.00 0.70 0.00 0.00 55.95 56.75 1x4x s SER 104 Cb 0.11 -1.93 0.29 0.00 -1.71 0.00 0.00 66.02 62.78 1x4x s SER 104 CO 0.64 0.08 1.74 -1.28 1.20 0.00 0.00 173.24 175.62 1x4x h SER 105 N 2.41 0.21 0.00 5.45 0.87 -2.02 -3.49 113.55 116.98 1x4x h SER 105 Ca -0.47 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1x4x h SER 105 Cb 1.18 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1x4x h SER 105 CO 0.71 0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.74