#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 2.23 0.08 1.61 1.04 -1.26 -5.14 113.70 112.27 1x4x s SER 2 Ca 0.00 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.06 1x4x s SER 2 Cb 0.00 -1.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.06 1x4x s SER 2 CO 0.00 0.05 0.15 -0.55 0.98 0.00 0.00 173.24 173.87 1x4x s SER 3 N 0.71 5.93 0.00 7.02 0.15 -1.26 -5.04 113.70 121.20 1x4x s SER 3 Ca -0.13 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1x4x s SER 3 Cb -0.16 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1x4x s SER 3 CO 0.03 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1x4x n GLY 4 N 0.29 4.00 0.36 9.45 0.00 -1.26 -5.00 105.19 113.02 1x4x n GLY 4 Ca -0.07 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 1x4x n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4x n SER 5 N 0.00 1.61 -4.45 1.61 2.88 -1.26 -4.92 113.62 109.09 1x4x n SER 5 Ca 0.00 0.27 -0.43 0.00 -1.33 0.00 0.00 58.87 57.37 1x4x n SER 5 Cb 0.00 -0.62 -0.09 0.00 -0.75 0.00 0.00 64.21 62.75 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 -6.29 6.14 0.00 -3.46 0.01 -1.26 -4.97 113.70 103.88 1x4x s SER 6 Ca -0.24 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.06 1x4x s SER 6 Cb 0.06 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1x4x s SER 6 CO 0.33 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1x4x n GLY 7 N 5.16 4.09 3.39 3.44 0.00 -1.26 -4.83 105.19 115.18 1x4x n GLY 7 Ca -0.10 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.69 -3.10 -2.45 1.61 -0.04 -1.26 -5.02 135.00 123.04 1x4x n PRO 8 Ca 0.00 -1.69 -0.28 0.00 -0.04 0.00 0.00 63.50 61.49 1x4x n PRO 8 Cb 0.00 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 -4.34 6.26 0.29 3.54 1.11 -1.26 -4.89 116.67 117.37 1x4x s ASP 9 Ca 0.69 1.06 -0.28 0.00 0.18 0.00 0.00 52.55 54.19 1x4x s ASP 9 Cb -0.07 -2.30 -0.14 0.00 1.07 0.00 0.00 42.92 41.48 1x4x s ASP 9 CO 0.53 -0.65 1.04 1.67 1.18 0.00 0.00 175.17 178.94 1x4x n GLN 10 N -2.36 1.40 -2.90 8.23 -0.06 -1.26 -4.84 117.38 115.59 1x4x n GLN 10 Ca 0.02 0.49 -0.30 0.00 -2.00 0.00 0.00 57.00 55.22 1x4x n GLN 10 Cb 0.55 -1.89 -0.03 0.00 -4.06 0.00 0.00 30.24 24.82 1x4x n GLN 10 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1x4x s LYS 12 N -3.93 3.84 0.17 0.00 -2.85 -1.26 -4.22 119.74 111.50 1x4x s LYS 12 Ca 0.50 0.48 -0.30 0.00 -1.00 0.00 0.00 55.97 55.64 1x4x s LYS 12 Cb -0.10 -2.45 -0.08 0.00 -2.06 0.00 0.00 37.83 33.13 1x4x s LYS 12 CO 0.33 0.08 1.32 -1.25 0.10 0.00 0.00 175.35 175.94 1x4x s PRO 13 N -3.44 4.37 0.92 1.78 0.04 -1.26 -4.72 135.00 132.69 1x4x s PRO 13 Ca 0.51 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.48 1x4x s PRO 13 Cb -0.10 -3.22 0.14 0.00 0.04 0.00 0.00 34.50 31.36 1x4x s PRO 13 CO 0.26 -0.30 1.09 -1.25 0.04 0.00 0.00 177.00 176.84 1x4x s PRO 14 N 0.27 1.08 -0.31 0.56 0.04 -1.26 -4.97 135.00 130.42 1x4x s PRO 14 Ca 0.59 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 1x4x s PRO 14 Cb -0.36 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1x4x s PRO 14 CO 0.36 -2.34 0.21 -1.14 0.04 0.00 0.00 177.00 174.13 1x4x s GLN 15 N -4.94 3.68 0.02 4.56 2.00 -0.05 -4.84 119.66 120.08 1x4x s GLN 15 Ca 0.64 -0.51 -0.19 0.00 -2.00 0.00 0.00 55.36 53.30 1x4x s GLN 15 Cb -0.18 -3.73 -0.06 0.00 0.80 0.00 0.00 33.01 29.84 1x4x s GLN 15 CO 0.57 -0.33 0.54 0.14 -0.50 0.00 0.00 175.29 175.71 1x4x s VAL 16 N 1.73 4.89 -0.22 1.34 -7.23 -1.26 -2.67 120.40 116.97 1x4x s VAL 16 Ca 0.06 1.13 -0.03 0.00 -1.81 0.00 0.00 61.98 61.34 1x4x s VAL 16 Cb -0.17 -3.87 0.07 0.00 0.56 0.00 0.00 36.38 32.98 1x4x s VAL 16 CO 0.10 0.50 0.06 -0.89 -0.31 0.00 0.00 175.10 174.56 1x4x s THR 17 N -0.65 0.51 -1.16 5.32 2.01 -0.08 -4.97 115.64 116.62 1x4x s THR 17 Ca 0.28 -0.73 -0.23 0.00 0.31 0.00 0.00 61.69 61.32 1x4x s THR 17 Cb -0.18 -1.13 -0.12 0.00 0.01 0.00 0.00 72.50 71.08 1x4x s THR 17 CO 0.17 -0.35 1.96 0.00 -0.69 0.00 0.00 174.62 175.71 1x4x h ARG 19 N 10.01 0.29 -3.12 0.00 3.08 -1.84 -3.44 114.38 119.35 1x4x h ARG 19 Ca 0.19 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.23 1x4x h ARG 19 Cb 0.94 -0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.84 1x4x h ARG 19 CO 1.20 0.19 0.15 0.45 -1.07 0.00 0.00 179.97 180.89 1x4x s SER 20 N -5.83 -0.34 0.40 7.04 0.15 -1.01 -4.94 113.70 109.16 1x4x s SER 20 Ca -0.07 -0.41 0.20 0.00 0.70 0.00 0.00 55.95 56.37 1x4x s SER 20 Cb 0.21 0.64 1.14 0.00 -1.71 0.00 0.00 66.02 66.30 1x4x s SER 20 CO 0.77 -1.14 1.74 0.00 1.20 0.00 0.00 173.24 175.81 1x4x h ALA 21 N 2.08 2.27 -0.10 5.45 0.00 -1.85 0.19 119.26 127.29 1x4x h ALA 21 Ca -0.27 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1x4x h ALA 21 Cb 1.27 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1x4x h ALA 21 CO 0.32 -0.73 -0.33 0.25 0.00 0.00 0.00 179.25 178.76 1x4x n THR 22 N -4.68 2.28 -3.89 0.00 -2.24 -1.26 -3.51 114.28 100.98 1x4x n THR 22 Ca 0.28 -3.01 -0.11 0.00 -2.27 0.00 0.00 64.05 58.94 1x4x n THR 22 Cb 0.96 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.45 -1.44 0.04 0.00 0.00 -0.09 -2.41 121.76 117.40 1x4x s ALA 24 Ca -0.05 1.91 0.02 0.00 0.00 0.00 0.00 51.96 53.84 1x4x s ALA 24 Cb -0.03 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1x4x s ALA 24 CO -0.00 -0.45 0.04 -1.14 0.00 0.00 0.00 175.76 174.21 1x4x s GLN 25 N 1.82 2.85 0.10 0.00 -0.44 -0.42 -0.03 119.66 123.55 1x4x s GLN 25 Ca -0.08 -0.64 0.08 0.00 -2.50 0.00 0.00 55.36 52.22 1x4x s GLN 25 Cb -0.08 -2.71 -0.03 0.00 -1.64 0.00 0.00 33.01 28.54 1x4x s GLN 25 CO -0.16 0.60 -0.20 0.08 0.50 0.00 0.00 175.29 176.11 1x4x s VAL 26 N -1.23 1.69 -0.09 1.34 1.01 -0.64 -0.90 120.40 121.57 1x4x s VAL 26 Ca 0.24 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 1x4x s VAL 26 Cb -0.12 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.77 1x4x s VAL 26 CO 0.16 -0.08 0.18 0.20 0.00 0.00 0.00 175.10 175.55 1x4x s ASN 27 N -1.93 0.47 0.44 3.32 0.01 -1.09 -2.77 114.94 113.39 1x4x s ASN 27 Ca 0.06 0.37 0.00 0.00 -0.71 0.00 0.00 52.86 52.59 1x4x s ASN 27 Cb -0.10 0.32 -0.00 0.00 0.41 0.00 0.00 41.25 41.88 1x4x s ASN 27 CO 0.04 -0.22 0.01 -2.67 -1.51 0.00 0.00 177.10 172.76 1x4x n TRP 28 N 5.04 0.94 -3.61 2.20 2.14 -1.00 -0.87 117.44 122.28 1x4x n TRP 28 Ca -0.10 -2.24 -0.14 0.00 2.07 0.00 0.00 57.50 57.09 1x4x n TRP 28 Cb 0.50 -0.26 -0.06 0.00 -0.81 0.00 0.00 31.31 30.68 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 -3.60 0.98 0.21 -2.67 2.02 -1.26 -4.82 118.70 109.56 1x4x s GLU 29 Ca 0.02 -0.27 -0.30 0.00 0.02 0.00 0.00 54.97 54.45 1x4x s GLU 29 Cb 0.00 0.44 -0.08 0.00 0.10 0.00 0.00 34.13 34.59 1x4x s GLU 29 CO 0.01 -0.34 1.06 0.08 0.02 0.00 0.00 175.26 176.09 1x4x s VAL 30 N -2.37 3.85 0.00 2.63 1.01 -1.26 -4.59 120.40 119.67 1x4x s VAL 30 Ca -0.06 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1x4x s VAL 30 Cb -0.01 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1x4x s VAL 30 CO -0.01 0.34 0.00 -0.81 0.00 0.00 0.00 175.10 174.62 1x4x n PRO 31 N 1.93 -0.60 -3.32 2.72 -0.04 -1.26 -4.96 135.00 129.48 1x4x n PRO 31 Ca 0.01 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.01 1x4x n PRO 31 Cb 0.46 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.91 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 6.57 -0.26 1.53 1.43 -1.26 -5.01 118.68 121.68 1x4x s LEU 32 Ca 0.00 -3.01 -0.05 0.00 -1.03 0.00 0.00 54.13 50.03 1x4x s LEU 32 Cb 0.00 -2.22 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 1x4x s LEU 32 CO 0.00 -0.48 0.03 -0.94 0.23 0.00 0.00 176.35 175.19 1x4x s SER 33 N 1.89 4.79 -0.94 2.29 1.04 -1.26 -4.63 113.70 116.88 1x4x s SER 33 Ca 0.23 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1x4x s SER 33 Cb -0.10 -1.82 0.32 0.00 0.10 0.00 0.00 66.02 64.52 1x4x s SER 33 CO -0.09 -0.10 1.64 -0.46 0.98 0.00 0.00 173.24 175.21 1x4x n ASN 34 N 4.84 6.74 0.00 7.02 2.04 -1.26 -4.69 115.26 129.95 1x4x n ASN 34 Ca -0.16 -3.68 0.00 0.00 -0.44 0.00 0.00 54.58 50.30 1x4x n ASN 34 Cb 0.49 -1.04 0.00 0.00 -2.53 0.00 0.00 39.78 36.70 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 -0.06 -2.23 3.86 4.83 0.00 -1.26 -5.15 105.19 105.18 1x4x n GLY 35 Ca 0.43 0.72 -0.31 0.00 0.00 0.00 0.00 46.02 46.86 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 -0.55 4.74 -0.20 2.61 -4.23 -1.26 -5.07 115.64 111.67 1x4x s THR 36 Ca 0.00 0.78 -0.04 0.00 -1.18 0.00 0.00 61.69 61.25 1x4x s THR 36 Cb 0.00 -3.67 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 1x4x s THR 36 CO 0.00 -0.33 -0.02 -1.81 -0.54 0.00 0.00 174.62 171.91 1x4x s ASP 37 N -2.68 4.65 0.10 3.99 1.11 -1.26 -4.88 116.67 117.69 1x4x s ASP 37 Ca 0.53 -0.25 -0.33 0.00 0.18 0.00 0.00 52.55 52.68 1x4x s ASP 37 Cb -0.10 -1.79 -0.12 0.00 1.07 0.00 0.00 42.92 41.97 1x4x s ASP 37 CO 0.24 0.06 1.72 0.52 1.18 0.00 0.00 175.17 178.89 1x4x n VAL 38 N 4.27 0.22 -0.08 -1.27 0.31 -1.26 -4.57 118.33 115.95 1x4x n VAL 38 Ca -0.17 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 63.98 1x4x n VAL 38 Cb 0.52 -1.78 -0.10 0.00 -0.91 0.00 0.00 33.84 31.56 1x4x n VAL 38 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1x4x h THR 39 N 4.31 1.20 -4.14 2.52 1.35 -1.14 -3.49 112.91 113.52 1x4x h THR 39 Ca -0.46 -2.04 -0.32 0.00 -0.55 0.00 0.00 66.41 63.04 1x4x h THR 39 Cb 1.25 2.41 -0.08 0.00 -1.73 0.00 0.00 68.15 70.00 1x4x h THR 39 CO 0.92 0.41 -0.22 -1.84 -0.25 0.00 0.00 175.52 174.54 1x4x n GLU 40 N -4.58 0.60 -3.86 4.72 0.28 -1.26 -4.51 120.64 112.03 1x4x n GLU 40 Ca -0.15 -2.81 -0.27 0.00 -0.16 0.00 0.00 57.16 53.78 1x4x n GLU 40 Cb 0.47 2.59 -0.17 0.00 1.43 0.00 0.00 31.44 35.75 1x4x n GLU 40 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1x4x s TYR 41 N -3.08 1.39 -0.54 -1.84 1.51 -0.32 -2.79 117.35 111.68 1x4x s TYR 41 Ca 0.30 -0.77 -0.17 0.00 -1.01 0.00 0.00 57.07 55.42 1x4x s TYR 41 Cb -0.00 -1.17 0.10 0.00 -0.11 0.00 0.00 41.96 40.78 1x4x s TYR 41 CO 0.22 -0.52 0.56 1.03 -1.11 0.00 0.00 175.55 175.73 1x4x s ARG 42 N 1.74 3.02 -0.24 -0.62 0.52 -1.21 -3.02 118.95 119.14 1x4x s ARG 42 Ca 0.03 -1.42 -0.14 0.00 -0.52 0.00 0.00 55.73 53.69 1x4x s ARG 42 Cb -0.14 -4.23 -0.04 0.00 0.52 0.00 0.00 34.95 31.06 1x4x s ARG 42 CO -0.08 -1.33 0.31 -1.17 0.02 0.00 0.00 175.30 173.05 1x4x s LEU 43 N 2.09 4.10 -0.14 2.53 2.96 -1.06 -3.18 118.68 125.98 1x4x s LEU 43 Ca 0.07 0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 54.23 1x4x s LEU 43 Cb -0.26 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 1x4x s LEU 43 CO 0.06 -0.06 0.01 -1.61 -1.32 0.00 0.00 176.35 173.43 1x4x s GLU 44 N 1.48 3.57 -0.13 1.98 2.02 -0.58 -2.22 118.70 124.81 1x4x s GLU 44 Ca 0.14 -0.42 -0.05 0.00 0.02 0.00 0.00 54.97 54.66 1x4x s GLU 44 Cb -0.15 -2.99 0.06 0.00 0.10 0.00 0.00 34.13 31.16 1x4x s GLU 44 CO 0.08 0.41 0.27 -0.46 0.02 0.00 0.00 175.26 175.57 1x4x s TRP 45 N -0.05 -0.44 0.17 1.61 -0.11 -1.03 -1.86 118.94 117.24 1x4x s TRP 45 Ca 0.04 0.99 -0.06 0.00 1.22 0.00 0.00 56.10 58.29 1x4x s TRP 45 Cb -0.13 -0.02 -0.02 0.00 -1.50 0.00 0.00 33.47 31.80 1x4x s TRP 45 CO 0.02 -0.35 0.22 0.20 -4.62 0.00 0.00 176.95 172.41 1x4x s GLY 46 N 2.38 0.80 0.00 5.86 0.00 -1.20 -4.30 107.32 110.86 1x4x s GLY 46 Ca 0.01 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1x4x s GLY 46 CO -0.09 -1.06 0.96 0.61 0.00 0.00 0.00 173.10 173.53 1x4x n GLY 47 N -0.21 -3.09 3.64 0.20 0.00 -1.21 -3.46 105.19 101.07 1x4x n GLY 47 Ca -0.04 0.52 -0.26 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 -2.85 2.18 0.39 1.61 1.01 -1.24 -4.02 120.40 117.48 1x4x s VAL 48 Ca 0.00 -1.94 0.10 0.00 0.00 0.00 0.00 61.98 60.14 1x4x s VAL 48 Cb 0.00 -2.94 0.31 0.00 0.00 0.00 0.00 36.38 33.75 1x4x s VAL 48 CO 0.00 -0.05 1.95 -0.33 0.00 0.00 0.00 175.10 176.68 1x4x h GLU 49 N 1.71 0.59 0.00 2.72 4.39 -1.94 0.12 114.58 122.16 1x4x h GLU 49 Ca -0.43 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1x4x h GLU 49 Cb 1.25 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1x4x h GLU 49 CO 0.75 0.39 0.00 0.78 -1.16 0.00 0.00 179.01 179.77 1x4x h GLY 50 N 0.61 0.00 -7.21 -3.84 0.00 -1.97 -3.38 103.07 87.27 1x4x h GLY 50 Ca 0.32 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.07 1x4x h GLY 50 CO -0.11 0.00 -0.76 -0.45 0.00 0.00 0.00 176.54 175.23 1x4x s SER 51 N -4.59 3.92 -0.07 0.19 0.15 0.41 -5.11 113.70 108.60 1x4x s SER 51 Ca 0.03 -1.54 -0.08 0.00 0.70 0.00 0.00 55.95 55.06 1x4x s SER 51 Cb 0.09 -0.88 0.02 0.00 -1.71 0.00 0.00 66.02 63.54 1x4x s SER 51 CO 0.42 -0.39 0.22 -0.04 1.20 0.00 0.00 173.24 174.65 1x4x s MET 52 N 1.61 0.32 0.22 5.44 1.00 -1.26 -3.29 119.30 123.35 1x4x s MET 52 Ca 0.08 0.18 -0.09 0.00 0.00 0.00 0.00 55.69 55.86 1x4x s MET 52 Cb -0.17 0.15 -0.02 0.00 0.00 0.00 0.00 34.83 34.79 1x4x s MET 52 CO -0.22 -0.05 0.35 1.14 0.00 0.00 0.00 175.02 176.24 1x4x s GLN 53 N -0.18 1.39 -0.29 2.03 0.00 -1.26 -4.96 119.66 116.39 1x4x s GLN 53 Ca -0.03 -1.35 -0.28 0.00 -0.00 0.00 0.00 55.36 53.70 1x4x s GLN 53 Cb -0.03 0.40 -0.03 0.00 0.00 0.00 0.00 33.01 33.36 1x4x s GLN 53 CO 0.01 -0.54 1.85 0.42 0.00 0.00 0.00 175.29 177.03 1x4x s ILE 54 N -4.05 3.41 -0.16 3.63 -1.09 -1.26 -2.46 121.20 119.22 1x4x s ILE 54 Ca 0.27 0.42 -0.13 0.00 -2.23 0.00 0.00 60.65 58.98 1x4x s ILE 54 Cb 0.02 -3.53 -0.23 0.00 -1.58 0.00 0.00 42.46 37.14 1x4x s ILE 54 CO 0.09 -0.32 0.28 0.00 -1.23 0.00 0.00 174.94 173.76 1x4x s TYR 56 N -2.48 0.39 -0.02 0.00 6.14 -1.21 -5.08 117.35 115.09 1x4x s TYR 56 Ca -0.25 -0.17 0.01 0.00 0.64 0.00 0.00 57.07 57.30 1x4x s TYR 56 Cb 0.07 -0.25 0.01 0.00 0.42 0.00 0.00 41.96 42.21 1x4x s TYR 56 CO 0.69 -0.03 -0.03 0.00 0.64 0.00 0.00 175.55 176.82 1x4x n GLY 58 N 3.46 2.60 0.00 0.00 0.00 -1.17 -4.93 105.19 105.15 1x4x n GLY 58 Ca -0.19 -1.26 0.07 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.31 0.21 -0.83 1.61 -0.04 -1.26 -1.17 135.00 132.21 1x4x n PRO 59 Ca 0.00 0.15 -0.33 0.00 -0.04 0.00 0.00 63.50 63.28 1x4x n PRO 59 Cb 0.00 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.09 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 -0.03 -1.31 0.07 0.55 0.00 -1.26 -4.84 105.19 98.36 1x4x n GLY 60 Ca 0.07 -0.68 0.01 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 -2.25 0.85 -3.77 0.99 4.77 -1.26 -4.77 117.00 111.56 1x4x n LEU 61 Ca 0.09 -0.84 -0.13 0.00 -0.03 0.00 0.00 56.01 55.10 1x4x n LEU 61 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 1x4x n LEU 61 CO 0.50 0.20 -0.20 -0.94 -1.33 0.00 0.00 177.39 175.61 1x4x s SER 62 N -0.53 -0.15 -0.05 -1.43 1.04 -1.26 -2.38 113.70 108.95 1x4x s SER 62 Ca 0.02 0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.74 1x4x s SER 62 Cb 0.02 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.41 1x4x s SER 62 CO 0.05 -0.11 0.12 -0.47 0.98 0.00 0.00 173.24 173.81 1x4x s TYR 63 N 0.78 -0.13 -0.13 5.02 5.04 -1.12 -5.06 117.35 121.75 1x4x s TYR 63 Ca -0.06 0.32 -0.05 0.00 -2.44 0.00 0.00 57.07 54.84 1x4x s TYR 63 Cb -0.07 0.04 -0.04 0.00 0.35 0.00 0.00 41.96 42.24 1x4x s TYR 63 CO -0.04 -0.07 0.06 -2.00 -1.34 0.00 0.00 175.55 172.16 1x4x s GLU 64 N 0.04 3.50 -0.06 4.97 2.12 -1.26 -1.62 118.70 126.40 1x4x s GLU 64 Ca -0.00 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.04 1x4x s GLU 64 Cb -0.01 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 1x4x s GLU 64 CO 0.00 0.55 -0.12 0.42 -0.54 0.00 0.00 175.26 175.57 1x4x s ILE 65 N -0.41 3.27 0.22 -3.70 1.01 0.96 -5.00 121.20 117.56 1x4x s ILE 65 Ca 0.09 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 1x4x s ILE 65 Cb -0.12 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1x4x s ILE 65 CO 0.02 0.59 0.12 -0.54 0.00 0.00 0.00 174.94 175.13 1x4x s LYS 66 N -0.70 1.27 0.00 2.79 1.02 -1.26 -0.92 119.74 121.94 1x4x s LYS 66 Ca 0.11 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.42 1x4x s LYS 66 Cb -0.11 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 1x4x s LYS 66 CO 0.01 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 1x4x n GLY 67 N -0.33 0.59 3.97 -3.33 0.00 -0.96 -5.00 105.19 100.14 1x4x n GLY 67 Ca 0.01 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 3.16 0.01 0.99 1.43 -1.16 -5.06 118.68 118.05 1x4x s LEU 68 Ca 0.00 -0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1x4x s LEU 68 Cb 0.00 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 1x4x s LEU 68 CO 0.00 -1.36 -0.14 -0.44 0.23 0.00 0.00 176.35 174.64 1x4x s SER 69 N -4.51 4.08 0.69 2.29 0.01 -1.26 -4.38 113.70 110.62 1x4x s SER 69 Ca 0.60 -0.30 -0.14 0.00 1.31 0.00 0.00 55.95 57.42 1x4x s SER 69 Cb -0.09 -0.79 0.02 0.00 0.21 0.00 0.00 66.02 65.37 1x4x s SER 69 CO 0.40 0.28 1.10 -2.16 0.41 0.00 0.00 173.24 173.28 1x4x s PRO 70 N -1.31 2.63 -1.54 12.44 0.04 -1.23 -3.64 135.00 142.40 1x4x s PRO 70 Ca 0.15 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 1x4x s PRO 70 Cb -0.11 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.58 1x4x s PRO 70 CO 0.05 -1.37 0.77 0.00 0.04 0.00 0.00 177.00 176.49 1x4x n ALA 71 N -2.76 -1.51 -2.97 8.56 0.00 -0.42 -4.88 120.51 116.54 1x4x n ALA 71 Ca 0.10 -0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.33 1x4x n ALA 71 Cb 0.52 -3.26 -0.15 0.00 0.00 0.00 0.00 19.45 16.56 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 -3.48 0.74 0.08 0.00 2.01 -1.24 -4.96 115.64 108.79 1x4x s THR 72 Ca 0.48 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.84 1x4x s THR 72 Cb -0.25 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.55 1x4x s THR 72 CO 0.87 0.23 0.91 -0.89 -0.69 0.00 0.00 174.62 175.05 1x4x s THR 73 N 0.12 4.61 0.23 -0.82 2.01 -1.26 -2.71 115.64 117.81 1x4x s THR 73 Ca -0.02 1.95 0.04 0.00 0.31 0.00 0.00 61.69 63.98 1x4x s THR 73 Cb -0.07 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 1x4x s THR 73 CO 0.00 0.31 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.90 1x4x s TYR 74 N 0.12 1.61 0.02 4.92 2.02 0.16 -4.55 117.35 121.65 1x4x s TYR 74 Ca 0.45 -0.85 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1x4x s TYR 74 Cb -0.22 -0.91 -0.02 0.00 -0.40 0.00 0.00 41.96 40.41 1x4x s TYR 74 CO 0.28 0.05 -0.01 0.71 -1.57 0.00 0.00 175.55 175.01 1x4x s TYR 75 N -3.31 0.25 -0.02 2.71 1.51 -1.22 -1.94 117.35 115.32 1x4x s TYR 75 Ca 0.27 -0.52 -0.12 0.00 -1.01 0.00 0.00 57.07 55.69 1x4x s TYR 75 Cb 0.05 -0.18 0.02 0.00 -0.11 0.00 0.00 41.96 41.73 1x4x s TYR 75 CO 0.08 -0.22 0.26 0.00 -1.11 0.00 0.00 175.55 174.57 1x4x s ARG 77 N -1.21 0.40 -0.08 0.00 1.70 -0.78 -1.92 118.95 117.05 1x4x s ARG 77 Ca -0.13 0.89 0.02 0.00 -0.47 0.00 0.00 55.73 56.04 1x4x s ARG 77 Cb -0.06 0.09 -0.02 0.00 -0.57 0.00 0.00 34.95 34.39 1x4x s ARG 77 CO 0.03 -0.18 -0.14 0.54 -1.08 0.00 0.00 175.30 174.47 1x4x s VAL 78 N 1.75 3.08 0.23 4.99 0.11 -1.26 -1.53 120.40 127.77 1x4x s VAL 78 Ca -0.08 -0.69 0.08 0.00 -2.93 0.00 0.00 61.98 58.37 1x4x s VAL 78 Cb -0.09 -2.24 -0.05 0.00 -1.53 0.00 0.00 36.38 32.47 1x4x s VAL 78 CO -0.13 0.56 -0.13 0.00 -3.33 0.00 0.00 175.10 172.07 1x4x s GLN 79 N -0.28 1.44 -0.23 1.54 -2.07 -1.19 -2.16 119.66 116.71 1x4x s GLN 79 Ca 0.02 -1.66 -0.07 0.00 -1.82 0.00 0.00 55.36 51.83 1x4x s GLN 79 Cb -0.13 -1.24 -0.03 0.00 -1.09 0.00 0.00 33.01 30.52 1x4x s GLN 79 CO 0.03 0.18 0.05 0.00 -1.32 0.00 0.00 175.29 174.23 1x4x s ALA 80 N -2.90 3.18 0.04 2.60 0.00 -1.26 -3.35 121.76 120.06 1x4x s ALA 80 Ca 0.25 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 1x4x s ALA 80 Cb -0.00 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 1x4x s ALA 80 CO 0.09 -0.29 0.28 -0.51 0.00 0.00 0.00 175.76 175.33 1x4x s LEU 81 N 1.25 4.35 0.00 0.00 1.02 -1.12 -1.12 118.68 123.06 1x4x s LEU 81 Ca 0.04 0.51 0.02 0.00 0.02 0.00 0.00 54.13 54.73 1x4x s LEU 81 Cb -0.15 -2.84 -0.01 0.00 0.02 0.00 0.00 46.19 43.22 1x4x s LEU 81 CO 0.03 0.20 0.09 -1.54 0.02 0.00 0.00 176.35 175.15 1x4x n SER 82 N 0.79 0.94 -0.54 2.29 3.41 -0.24 -0.53 113.62 119.73 1x4x n SER 82 Ca -0.09 -2.16 0.13 0.00 -0.26 0.00 0.00 58.87 56.50 1x4x n SER 82 Cb 0.52 0.59 0.41 0.00 -0.26 0.00 0.00 64.21 65.47 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 -0.47 0.00 0.09 -3.33 0.24 -1.26 -3.83 118.33 109.77 1x4x n VAL 83 Ca -0.02 -0.28 0.01 0.00 -2.04 0.00 0.00 64.34 62.01 1x4x n VAL 83 Cb 0.33 0.70 -0.00 0.00 -1.47 0.00 0.00 33.84 33.39 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 0.28 0.00 -3.05 3.34 3.14 -1.26 -5.11 118.33 115.68 1x4x n VAL 84 Ca 0.17 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1x4x n VAL 84 Cb 0.40 1.03 0.00 0.00 -1.06 0.00 0.00 33.84 34.21 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 0.54 -0.49 3.10 7.55 0.00 -1.25 -4.88 105.19 109.76 1x4x n GLY 85 Ca 0.01 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 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 0.87 0.54 4.61 0.00 -1.26 -1.08 121.76 124.44 1x4x s ALA 86 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 1x4x s ALA 86 Cb 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1x4x s ALA 86 CO 0.00 0.11 0.79 0.20 0.00 0.00 0.00 175.76 176.86 1x4x s GLY 87 N -1.31 1.68 0.55 0.00 0.00 -0.27 -4.95 107.32 103.01 1x4x s GLY 87 Ca -0.03 -1.08 -0.19 0.00 0.00 0.00 0.00 44.72 43.41 1x4x s GLY 87 CO 0.01 -0.82 1.13 2.56 0.00 0.00 0.00 173.10 175.98 1x4x s PRO 88 N -4.79 3.34 -0.02 2.90 0.04 -1.26 -4.55 135.00 130.66 1x4x s PRO 88 Ca 0.54 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 1x4x s PRO 88 Cb -0.10 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1x4x s PRO 88 CO 0.40 -0.86 1.36 -0.06 0.04 0.00 0.00 177.00 177.88 1x4x s PHE 89 N -1.78 2.89 1.05 0.56 0.08 -1.26 -4.26 117.98 115.26 1x4x s PHE 89 Ca 0.73 0.89 -0.19 0.00 0.12 0.00 0.00 56.93 58.47 1x4x s PHE 89 Cb -0.24 -3.61 -0.01 0.00 -0.57 0.00 0.00 43.02 38.59 1x4x s PHE 89 CO 0.27 -2.21 -0.37 -1.13 -0.10 0.00 0.00 175.22 171.68 1x4x n SER 90 N 5.47 -2.87 -4.61 1.36 3.41 -0.92 -4.72 113.62 110.74 1x4x n SER 90 Ca 0.13 0.03 -0.44 0.00 -0.26 0.00 0.00 58.87 58.33 1x4x n SER 90 Cb 0.44 -0.88 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 1x4x n SER 90 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x4x n GLU 91 N -0.45 2.17 -1.58 4.33 1.02 -1.26 -4.72 120.64 120.15 1x4x n GLU 91 Ca 0.01 0.68 -0.59 0.00 -0.02 0.00 0.00 57.16 57.24 1x4x n GLU 91 Cb 0.63 -3.08 -0.08 0.00 -0.02 0.00 0.00 31.44 28.90 1x4x n GLU 91 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x4x n VAL 92 N 6.90 0.02 -3.56 2.62 0.31 -1.26 -4.57 118.33 118.79 1x4x n VAL 92 Ca 0.27 -0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.19 1x4x n VAL 92 Cb 0.41 -0.35 -0.09 0.00 -0.91 0.00 0.00 33.84 32.90 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 0.92 4.32 0.43 2.52 1.01 -0.81 -4.95 120.40 123.84 1x4x s VAL 93 Ca 0.93 -1.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1x4x s VAL 93 Cb -1.23 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 31.33 1x4x s VAL 93 CO 0.60 -0.60 0.95 0.00 0.00 0.00 0.00 175.10 176.05 1x4x s ALA 94 N 1.43 3.05 -0.27 5.51 0.00 -1.26 -3.13 121.76 127.08 1x4x s ALA 94 Ca 0.04 0.38 -0.23 0.00 0.00 0.00 0.00 51.96 52.15 1x4x s ALA 94 Cb -0.24 -3.14 0.08 0.00 0.00 0.00 0.00 23.12 19.82 1x4x s ALA 94 CO 0.02 0.12 0.77 0.00 0.00 0.00 0.00 175.76 176.66 1x4x s VAL 96 N 0.63 2.88 0.62 0.00 1.01 -1.26 -0.67 120.40 123.60 1x4x s VAL 96 Ca -0.02 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 1x4x s VAL 96 Cb -0.05 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1x4x s VAL 96 CO -0.04 0.16 1.26 0.42 0.00 0.00 0.00 175.10 176.90 1x4x s THR 97 N 1.31 2.27 0.51 3.92 -4.23 -1.10 -4.88 115.64 113.45 1x4x s THR 97 Ca -0.01 0.17 -0.21 0.00 -1.18 0.00 0.00 61.69 60.47 1x4x s THR 97 Cb -0.17 -3.07 -0.06 0.00 1.34 0.00 0.00 72.50 70.53 1x4x s THR 97 CO -0.04 -0.03 1.14 -2.16 -0.54 0.00 0.00 174.62 172.99 1x4x s PRO 98 N -3.32 3.50 0.18 3.99 0.04 -1.26 -1.30 135.00 136.83 1x4x s PRO 98 Ca 0.80 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 63.20 1x4x s PRO 98 Cb -0.35 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 1x4x s PRO 98 CO 0.38 -0.74 1.32 -1.25 0.04 0.00 0.00 177.00 176.74 1x4x s PRO 99 N -3.08 4.38 -0.14 0.56 0.04 -1.26 -3.38 135.00 132.12 1x4x s PRO 99 Ca 0.70 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.65 1x4x s PRO 99 Cb -0.25 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.02 1x4x s PRO 99 CO 0.30 -0.28 -0.27 0.45 0.04 0.00 0.00 177.00 177.23 1x4x n SER 100 N 2.91 1.68 -4.00 6.66 2.88 -1.26 -4.83 113.62 117.67 1x4x n SER 100 Ca 0.07 0.28 -0.40 0.00 -1.33 0.00 0.00 58.87 57.49 1x4x n SER 100 Cb 0.43 -0.64 -0.13 0.00 -0.75 0.00 0.00 64.21 63.12 1x4x n SER 100 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4x n SER 101 N -4.16 0.34 0.00 -3.46 7.64 -1.26 -4.36 113.62 108.37 1x4x n SER 101 Ca -0.20 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1x4x n SER 101 Cb 0.51 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1x4x n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4x n GLY 102 N 6.02 -1.10 3.76 0.23 0.00 -1.26 -4.95 105.19 107.88 1x4x n GLY 102 Ca 0.57 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.05 4.45 -0.13 1.61 0.04 -1.26 -4.97 135.00 131.68 1x4x s PRO 103 Ca 0.00 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 1x4x s PRO 103 Cb 0.00 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 1x4x s PRO 103 CO 0.00 -0.09 -0.26 0.45 0.04 0.00 0.00 177.00 177.14 1x4x n SER 104 N 1.49 1.64 -4.58 6.66 2.88 -1.26 -5.00 113.62 115.44 1x4x n SER 104 Ca 0.02 0.27 -0.47 0.00 -1.33 0.00 0.00 58.87 57.35 1x4x n SER 104 Cb 0.43 -0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 1x4x n SER 104 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x4x n SER 105 N -4.12 1.34 0.00 -3.46 3.41 -1.26 -5.23 113.62 104.30 1x4x n SER 105 Ca -0.18 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 1x4x n SER 105 Cb 0.49 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1x4x n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49