#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 5.65 0.07 1.61 1.04 -1.26 -5.13 113.70 115.68 1x4x s SER 2 Ca 0.00 -0.23 -0.17 0.00 0.48 0.00 0.00 55.95 56.02 1x4x s SER 2 Cb 0.00 -0.88 0.04 0.00 0.10 0.00 0.00 66.02 65.28 1x4x s SER 2 CO 0.00 -0.78 0.41 -0.55 0.98 0.00 0.00 173.24 173.30 1x4x s SER 3 N -4.32 -0.27 0.00 7.02 0.15 -1.26 -5.17 113.70 109.85 1x4x s SER 3 Ca 0.53 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1x4x s SER 3 Cb -0.10 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1x4x s SER 3 CO 0.34 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1x4x n GLY 4 N 0.24 4.12 0.25 9.45 0.00 -1.26 -5.07 105.19 112.92 1x4x n GLY 4 Ca -0.18 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 1x4x n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4x n SER 5 N 0.00 2.05 -4.54 1.61 7.64 -1.26 -4.92 113.62 114.21 1x4x n SER 5 Ca 0.00 0.05 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 1x4x n SER 5 Cb 0.00 -0.38 -0.06 0.00 -1.01 0.00 0.00 64.21 62.77 1x4x n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4x s SER 6 N -6.04 6.40 0.00 6.43 1.04 -1.26 -4.92 113.70 115.35 1x4x s SER 6 Ca -0.23 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1x4x s SER 6 Cb 0.07 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1x4x s SER 6 CO 0.35 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1x4x n GLY 7 N 4.98 3.89 3.66 7.32 0.00 -1.26 -4.79 105.19 118.98 1x4x n GLY 7 Ca 0.02 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.78 0.05 0.56 1.61 0.04 -1.26 -5.01 135.00 128.21 1x4x s PRO 8 Ca 0.00 0.39 -0.08 0.00 0.04 0.00 0.00 61.00 61.34 1x4x s PRO 8 Cb 0.00 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 1x4x s PRO 8 CO 0.00 -2.96 0.92 0.16 0.04 0.00 0.00 177.00 175.16 1x4x s ASP 9 N -3.53 6.23 0.21 6.66 -4.77 -1.26 -4.78 116.67 115.43 1x4x s ASP 9 Ca 0.66 1.19 -0.29 0.00 -3.30 0.00 0.00 52.55 50.81 1x4x s ASP 9 Cb -0.17 -2.36 -0.16 0.00 -1.09 0.00 0.00 42.92 39.14 1x4x s ASP 9 CO 0.57 -0.75 0.74 1.67 0.70 0.00 0.00 175.17 178.11 1x4x n GLN 10 N -2.53 0.49 -2.63 2.11 7.27 -1.26 -4.82 117.38 116.00 1x4x n GLN 10 Ca 0.04 0.17 -0.33 0.00 0.07 0.00 0.00 57.00 56.95 1x4x n GLN 10 Cb 0.55 -1.35 -0.05 0.00 2.41 0.00 0.00 30.24 31.80 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 -3.58 3.80 0.13 0.00 1.02 -1.26 -4.19 119.74 115.66 1x4x s LYS 12 Ca 0.61 0.34 -0.31 0.00 0.02 0.00 0.00 55.97 56.63 1x4x s LYS 12 Cb -0.09 -2.54 -0.08 0.00 -0.52 0.00 0.00 37.83 34.60 1x4x s LYS 12 CO 0.21 0.18 1.35 -1.25 -0.92 0.00 0.00 175.35 174.92 1x4x s PRO 13 N -3.27 4.35 0.70 -1.68 0.04 -1.26 -4.77 135.00 129.11 1x4x s PRO 13 Ca 0.49 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.43 1x4x s PRO 13 Cb -0.11 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1x4x s PRO 13 CO 0.25 -0.37 1.10 -1.25 0.04 0.00 0.00 177.00 176.77 1x4x s PRO 14 N 0.75 2.60 -0.33 0.56 0.04 -1.26 -4.96 135.00 132.40 1x4x s PRO 14 Ca 0.62 1.31 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 1x4x s PRO 14 Cb -0.36 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1x4x s PRO 14 CO 0.32 -1.39 0.26 -1.14 0.04 0.00 0.00 177.00 175.09 1x4x s GLN 15 N -4.39 3.57 0.19 4.56 0.74 0.13 -4.88 119.66 119.58 1x4x s GLN 15 Ca 0.65 -0.55 -0.17 0.00 0.05 0.00 0.00 55.36 55.34 1x4x s GLN 15 Cb -0.19 -3.79 -0.08 0.00 1.10 0.00 0.00 33.01 30.05 1x4x s GLN 15 CO 0.47 -0.43 0.63 0.14 -0.55 0.00 0.00 175.29 175.56 1x4x s VAL 16 N 1.79 4.72 -0.23 1.34 -7.23 -1.26 -2.42 120.40 117.11 1x4x s VAL 16 Ca 0.07 1.04 -0.04 0.00 -1.81 0.00 0.00 61.98 61.24 1x4x s VAL 16 Cb -0.17 -3.79 0.09 0.00 0.56 0.00 0.00 36.38 33.07 1x4x s VAL 16 CO 0.11 0.21 0.15 -0.89 -0.31 0.00 0.00 175.10 174.37 1x4x s THR 17 N -1.51 -0.16 -0.09 5.32 2.01 -0.34 -5.01 115.64 115.86 1x4x s THR 17 Ca 0.41 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1x4x s THR 17 Cb -0.16 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1x4x s THR 17 CO 0.20 -0.42 1.44 0.00 -0.69 0.00 0.00 174.62 175.15 1x4x n ARG 19 N 6.57 0.67 -3.69 0.00 5.12 -1.21 -4.99 116.66 119.13 1x4x n ARG 19 Ca 0.15 0.13 -0.09 0.00 -1.93 0.00 0.00 57.85 56.11 1x4x n ARG 19 Cb 0.44 -1.63 -0.02 0.00 -1.16 0.00 0.00 32.46 30.09 1x4x n ARG 19 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1x4x s SER 20 N -5.91 -0.37 0.43 0.55 0.15 -1.20 -4.94 113.70 102.42 1x4x s SER 20 Ca -0.11 -0.39 0.20 0.00 0.70 0.00 0.00 55.95 56.36 1x4x s SER 20 Cb 0.07 0.67 1.16 0.00 -1.71 0.00 0.00 66.02 66.21 1x4x s SER 20 CO 0.80 -1.18 1.83 0.00 1.20 0.00 0.00 173.24 175.89 1x4x h ALA 21 N 2.02 2.34 -0.09 5.45 0.00 -1.94 0.41 119.26 127.45 1x4x h ALA 21 Ca -0.25 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1x4x h ALA 21 Cb 1.27 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1x4x h ALA 21 CO 0.30 -0.66 -0.33 0.25 0.00 0.00 0.00 179.25 178.82 1x4x n THR 22 N -4.50 2.25 -4.02 0.00 -2.24 -1.26 -3.14 114.28 101.37 1x4x n THR 22 Ca 0.21 -2.97 -0.11 0.00 -2.27 0.00 0.00 64.05 58.91 1x4x n THR 22 Cb 0.81 -0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.37 -1.57 -0.01 0.00 0.00 -0.07 -3.22 121.76 115.52 1x4x s ALA 24 Ca -0.12 1.03 0.01 0.00 0.00 0.00 0.00 51.96 52.88 1x4x s ALA 24 Cb -0.10 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 1x4x s ALA 24 CO -0.00 -0.41 -0.05 -1.14 0.00 0.00 0.00 175.76 174.16 1x4x s GLN 25 N -1.61 0.42 0.17 0.00 2.00 -0.92 -0.45 119.66 119.27 1x4x s GLN 25 Ca -0.09 -0.16 0.09 0.00 -2.00 0.00 0.00 55.36 53.20 1x4x s GLN 25 Cb -0.01 -0.41 -0.04 0.00 0.80 0.00 0.00 33.01 33.35 1x4x s GLN 25 CO 0.06 0.09 -0.14 0.08 -0.50 0.00 0.00 175.29 174.87 1x4x s VAL 26 N -0.02 2.95 -0.15 1.34 1.01 -0.63 -1.20 120.40 123.70 1x4x s VAL 26 Ca 0.01 -1.69 -0.06 0.00 0.00 0.00 0.00 61.98 60.24 1x4x s VAL 26 Cb -0.03 -2.43 0.07 0.00 0.00 0.00 0.00 36.38 33.98 1x4x s VAL 26 CO -0.00 -0.06 0.32 0.20 0.00 0.00 0.00 175.10 175.56 1x4x s ASN 27 N -2.63 -0.09 0.39 3.32 -0.87 -1.02 -2.65 114.94 111.39 1x4x s ASN 27 Ca 0.22 0.73 0.03 0.00 -1.57 0.00 0.00 52.86 52.27 1x4x s ASN 27 Cb -0.09 0.79 -0.01 0.00 -0.02 0.00 0.00 41.25 41.92 1x4x s ASN 27 CO 0.13 -0.21 0.10 -2.67 -2.57 0.00 0.00 177.10 171.88 1x4x n TRP 28 N 4.90 0.35 -3.76 2.20 2.14 -1.17 0.22 117.44 122.32 1x4x n TRP 28 Ca -0.14 -2.32 -0.09 0.00 2.07 0.00 0.00 57.50 57.01 1x4x n TRP 28 Cb 0.51 -0.08 -0.04 0.00 -0.81 0.00 0.00 31.31 30.90 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 -3.45 1.41 0.12 -2.67 2.02 -1.26 -4.77 118.70 110.10 1x4x s GLU 29 Ca 0.14 -0.89 -0.27 0.00 0.02 0.00 0.00 54.97 53.97 1x4x s GLU 29 Cb 0.01 0.52 -0.07 0.00 0.10 0.00 0.00 34.13 34.69 1x4x s GLU 29 CO 0.10 -0.60 0.83 0.08 0.02 0.00 0.00 175.26 175.69 1x4x s VAL 30 N -3.88 4.49 0.00 2.63 1.01 -1.26 -4.65 120.40 118.74 1x4x s VAL 30 Ca 0.10 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1x4x s VAL 30 Cb -0.01 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1x4x s VAL 30 CO -0.02 0.42 0.00 -0.81 0.00 0.00 0.00 175.10 174.69 1x4x n PRO 31 N 2.27 -0.03 -2.09 2.72 -0.04 -1.26 -4.92 135.00 131.66 1x4x n PRO 31 Ca -0.02 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.04 1x4x n PRO 31 Cb 0.49 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.98 1x4x n PRO 31 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1x4x n LEU 32 N 0.00 7.43 -4.47 1.53 7.94 -1.26 -4.91 117.00 123.26 1x4x n LEU 32 Ca 0.00 -4.93 -0.40 0.00 -1.11 0.00 0.00 56.01 49.57 1x4x n LEU 32 Cb 0.00 -1.12 -0.02 0.00 0.53 0.00 0.00 43.42 42.82 1x4x n LEU 32 CO 0.00 1.85 1.95 -1.54 -1.11 0.00 0.00 177.39 178.53 1x4x n SER 33 N -0.24 4.37 -4.56 1.96 3.41 -1.26 -4.69 113.62 112.61 1x4x n SER 33 Ca 0.52 -2.86 -0.15 0.00 -0.26 0.00 0.00 58.87 56.12 1x4x n SER 33 Cb 0.26 -1.72 -0.08 0.00 -0.26 0.00 0.00 64.21 62.41 1x4x n SER 33 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x4x s ASN 34 N 4.64 3.91 0.00 4.04 6.03 -1.26 -4.23 114.94 128.08 1x4x s ASN 34 Ca 0.57 -0.26 0.00 0.00 -1.03 0.00 0.00 52.86 52.14 1x4x s ASN 34 Cb 0.04 -2.56 0.00 0.00 -3.03 0.00 0.00 41.25 35.70 1x4x s ASN 34 CO 0.08 -3.96 0.00 0.61 -2.03 0.00 0.00 177.10 171.79 1x4x n GLY 35 N 6.67 -0.82 3.80 0.45 0.00 -1.26 -5.10 105.19 108.92 1x4x n GLY 35 Ca 0.45 0.38 -0.33 0.00 0.00 0.00 0.00 46.02 46.52 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 3.87 -0.08 2.61 -1.32 -1.26 -5.04 115.64 114.42 1x4x s THR 36 Ca 0.00 0.95 -0.12 0.00 -1.21 0.00 0.00 61.69 61.31 1x4x s THR 36 Cb 0.00 -3.43 -0.05 0.00 -1.51 0.00 0.00 72.50 67.51 1x4x s THR 36 CO 0.00 -0.46 0.29 -1.81 -2.21 0.00 0.00 174.62 170.43 1x4x s ASP 37 N -2.62 6.58 0.14 8.08 1.01 -1.26 -4.92 116.67 123.68 1x4x s ASP 37 Ca 0.64 0.69 -0.34 0.00 0.71 0.00 0.00 52.55 54.25 1x4x s ASP 37 Cb -0.16 -2.17 -0.14 0.00 1.01 0.00 0.00 42.92 41.46 1x4x s ASP 37 CO 0.32 0.30 1.59 0.52 0.21 0.00 0.00 175.17 178.11 1x4x n VAL 38 N 2.31 0.05 0.04 -1.27 0.31 -1.26 -4.78 118.33 113.73 1x4x n VAL 38 Ca -0.15 -0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 63.95 1x4x n VAL 38 Cb 0.53 -1.53 -0.14 0.00 -0.91 0.00 0.00 33.84 31.79 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 3.75 1.24 -3.35 2.52 1.35 -1.31 -3.49 112.91 113.62 1x4x h THR 39 Ca -0.45 -2.49 -0.04 0.00 -0.55 0.00 0.00 66.41 62.87 1x4x h THR 39 Cb 1.26 2.94 -0.12 0.00 -1.73 0.00 0.00 68.15 70.50 1x4x h THR 39 CO 0.89 0.73 -0.03 -1.83 -0.25 0.00 0.00 175.52 175.03 1x4x s GLU 40 N -2.48 1.17 -0.17 4.72 -1.05 -1.25 -4.44 118.70 115.21 1x4x s GLU 40 Ca -0.16 -0.74 0.01 0.00 -0.15 0.00 0.00 54.97 53.93 1x4x s GLU 40 Cb 0.03 0.49 0.03 0.00 -0.44 0.00 0.00 34.13 34.24 1x4x s GLU 40 CO 0.82 -0.47 -0.14 0.71 0.95 0.00 0.00 175.26 177.13 1x4x s TYR 41 N -3.82 2.30 -0.56 4.83 1.51 -0.79 -2.51 117.35 118.31 1x4x s TYR 41 Ca 0.05 -1.37 -0.20 0.00 -1.01 0.00 0.00 57.07 54.54 1x4x s TYR 41 Cb 0.01 -1.64 0.08 0.00 -0.11 0.00 0.00 41.96 40.29 1x4x s TYR 41 CO -0.09 -0.70 0.72 1.03 -1.11 0.00 0.00 175.55 175.39 1x4x s ARG 42 N 1.44 3.10 -0.22 -0.62 0.52 -1.25 -2.80 118.95 119.13 1x4x s ARG 42 Ca 0.03 -1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 54.10 1x4x s ARG 42 Cb -0.14 -4.18 -0.05 0.00 0.52 0.00 0.00 34.95 31.11 1x4x s ARG 42 CO -0.10 -1.44 0.24 -1.17 0.02 0.00 0.00 175.30 172.85 1x4x s LEU 43 N 2.90 4.14 0.04 2.53 2.96 -0.74 -3.81 118.68 126.71 1x4x s LEU 43 Ca 0.15 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1x4x s LEU 43 Cb -0.21 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1x4x s LEU 43 CO 0.10 0.03 0.01 -1.61 -1.32 0.00 0.00 176.35 173.56 1x4x s GLU 44 N 1.05 2.71 -0.25 1.98 8.01 -0.92 -1.42 118.70 129.85 1x4x s GLU 44 Ca 0.12 -0.71 -0.02 0.00 0.01 0.00 0.00 54.97 54.37 1x4x s GLU 44 Cb -0.14 -2.63 0.12 0.00 -4.31 0.00 0.00 34.13 27.17 1x4x s GLU 44 CO 0.05 0.59 0.29 -0.46 0.01 0.00 0.00 175.26 175.74 1x4x s TRP 45 N -1.21 -0.50 -0.10 1.61 -0.11 0.07 -2.75 118.94 115.94 1x4x s TRP 45 Ca 0.23 0.22 0.01 0.00 1.22 0.00 0.00 56.10 57.78 1x4x s TRP 45 Cb -0.12 -0.31 0.02 0.00 -1.50 0.00 0.00 33.47 31.57 1x4x s TRP 45 CO 0.15 -0.76 -0.12 0.20 -4.62 0.00 0.00 176.95 171.79 1x4x s GLY 46 N 2.40 0.93 0.23 5.86 0.00 -1.20 -4.37 107.32 111.18 1x4x s GLY 46 Ca 0.09 -0.63 0.04 0.00 0.00 0.00 0.00 44.72 44.23 1x4x s GLY 46 CO -0.21 0.40 1.10 0.61 0.00 0.00 0.00 173.10 175.00 1x4x n GLY 47 N 4.39 -0.87 3.30 0.20 0.00 -1.26 -3.57 105.19 107.37 1x4x n GLY 47 Ca -0.18 0.67 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 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 -5.50 2.63 0.49 1.61 1.01 -1.26 -3.65 120.40 115.74 1x4x s VAL 48 Ca -0.09 -0.81 0.34 0.00 0.00 0.00 0.00 61.98 61.43 1x4x s VAL 48 Cb 0.21 -2.08 0.54 0.00 0.00 0.00 0.00 36.38 35.06 1x4x s VAL 48 CO 0.55 0.54 1.70 1.05 0.00 0.00 0.00 175.10 178.93 1x4x h GLU 49 N 6.81 0.10 -0.53 2.72 4.11 -1.93 0.73 114.58 126.59 1x4x h GLU 49 Ca -0.24 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.17 1x4x h GLU 49 Cb 1.22 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1x4x h GLU 49 CO 0.53 0.07 0.27 0.78 0.07 0.00 0.00 179.01 180.73 1x4x h GLY 50 N 0.10 0.78 -7.66 1.06 0.00 -1.94 -3.36 103.07 92.05 1x4x h GLY 50 Ca 0.72 -0.34 -0.66 0.00 0.00 0.00 0.00 47.33 47.04 1x4x h GLY 50 CO -0.18 0.33 -0.70 -0.45 0.00 0.00 0.00 176.54 175.53 1x4x s SER 51 N -6.57 4.76 -0.04 0.19 0.15 0.25 -5.09 113.70 107.36 1x4x s SER 51 Ca -0.09 -2.22 0.06 0.00 0.70 0.00 0.00 55.95 54.40 1x4x s SER 51 Cb 0.17 -1.64 -0.02 0.00 -1.71 0.00 0.00 66.02 62.82 1x4x s SER 51 CO 0.76 -0.38 -0.23 -0.04 1.20 0.00 0.00 173.24 174.56 1x4x s MET 52 N 0.82 2.32 0.17 5.44 -1.94 -1.26 -4.18 119.30 120.67 1x4x s MET 52 Ca 0.11 -0.86 -0.01 0.00 -1.71 0.00 0.00 55.69 53.22 1x4x s MET 52 Cb -0.20 -2.16 -0.04 0.00 2.01 0.00 0.00 34.83 34.44 1x4x s MET 52 CO -0.07 0.53 0.09 1.14 -0.01 0.00 0.00 175.02 176.70 1x4x s GLN 53 N -0.53 1.06 0.12 2.03 -2.07 -1.26 -4.94 119.66 114.07 1x4x s GLN 53 Ca 0.07 -1.53 -0.30 0.00 -1.82 0.00 0.00 55.36 51.78 1x4x s GLN 53 Cb -0.11 0.25 -0.07 0.00 -1.09 0.00 0.00 33.01 31.99 1x4x s GLN 53 CO 0.00 -0.32 1.16 0.42 -1.32 0.00 0.00 175.29 175.23 1x4x s ILE 54 N -4.10 3.93 -0.03 3.63 -1.09 -1.26 -0.75 121.20 121.52 1x4x s ILE 54 Ca 0.31 1.51 0.01 0.00 -2.23 0.00 0.00 60.65 60.25 1x4x s ILE 54 Cb 0.07 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 1x4x s ILE 54 CO 0.07 0.19 -0.01 0.00 -1.23 0.00 0.00 174.94 173.95 1x4x s TYR 56 N -2.06 -0.07 -0.03 0.00 6.14 -1.16 -5.07 117.35 115.11 1x4x s TYR 56 Ca -0.03 0.18 0.01 0.00 0.64 0.00 0.00 57.07 57.87 1x4x s TYR 56 Cb 0.01 -0.00 0.03 0.00 0.42 0.00 0.00 41.96 42.41 1x4x s TYR 56 CO 0.08 -0.04 -0.01 0.00 0.64 0.00 0.00 175.55 176.22 1x4x n GLY 58 N 4.10 2.02 0.05 0.00 0.00 -1.12 -4.94 105.19 105.30 1x4x n GLY 58 Ca -0.26 -1.23 0.09 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.17 0.08 -0.88 1.61 -0.04 -1.26 -1.88 135.00 131.46 1x4x n PRO 59 Ca 0.00 0.33 -0.36 0.00 -0.04 0.00 0.00 63.50 63.42 1x4x n PRO 59 Cb 0.00 -1.66 0.08 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.85 0.33 0.55 0.00 -1.26 -4.91 105.19 97.02 1x4x n GLY 60 Ca 0.03 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 1.52 0.85 -3.61 0.99 4.77 -1.26 -4.90 117.00 115.37 1x4x n LEU 61 Ca -0.01 -1.73 -0.10 0.00 -0.03 0.00 0.00 56.01 54.14 1x4x n LEU 61 Cb 0.70 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 1x4x n LEU 61 CO 0.47 0.41 0.76 -0.44 -1.33 0.00 0.00 177.39 177.25 1x4x s SER 62 N -1.64 -0.41 -0.00 -1.43 0.01 -1.26 -3.05 113.70 105.92 1x4x s SER 62 Ca 0.11 0.63 -0.04 0.00 1.31 0.00 0.00 55.95 57.96 1x4x s SER 62 Cb 0.10 0.58 -0.00 0.00 0.21 0.00 0.00 66.02 66.91 1x4x s SER 62 CO 0.01 -0.25 0.08 -0.47 0.41 0.00 0.00 173.24 173.01 1x4x s TYR 63 N -0.46 0.06 -0.20 2.43 5.04 -1.08 -5.04 117.35 118.10 1x4x s TYR 63 Ca 0.01 -0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.47 1x4x s TYR 63 Cb -0.03 -0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.21 1x4x s TYR 63 CO -0.02 -0.19 -0.05 -2.00 -1.34 0.00 0.00 175.55 171.95 1x4x s GLU 64 N -0.98 3.42 -0.07 4.97 2.12 -1.26 -1.61 118.70 125.29 1x4x s GLU 64 Ca -0.11 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.61 1x4x s GLU 64 Cb -0.06 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 1x4x s GLU 64 CO 0.00 -0.10 -0.06 0.42 -0.54 0.00 0.00 175.26 174.99 1x4x s ILE 65 N 1.22 3.79 0.29 -3.70 1.01 0.40 -5.02 121.20 119.20 1x4x s ILE 65 Ca 0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 1x4x s ILE 65 Cb -0.14 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 1x4x s ILE 65 CO -0.01 0.60 0.33 -0.54 0.00 0.00 0.00 174.94 175.31 1x4x s LYS 66 N -0.79 1.64 -0.44 2.79 1.02 -1.26 -0.89 119.74 121.81 1x4x s LYS 66 Ca 0.12 -1.75 -0.01 0.00 0.02 0.00 0.00 55.97 54.35 1x4x s LYS 66 Cb -0.11 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 1x4x s LYS 66 CO 0.02 -0.63 0.13 0.41 -0.92 0.00 0.00 175.35 174.36 1x4x n GLY 67 N -0.49 0.30 3.22 -3.33 0.00 -0.87 -4.98 105.19 99.04 1x4x n GLY 67 Ca 0.03 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 1x4x n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4x n LEU 68 N -1.19 0.00 -4.33 0.99 4.77 -1.10 -5.06 117.00 111.09 1x4x n LEU 68 Ca -0.04 -1.95 -0.30 0.00 -0.03 0.00 0.00 56.01 53.69 1x4x n LEU 68 Cb 0.54 -0.42 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 1x4x n LEU 68 CO 0.12 -0.76 -0.56 -0.44 -1.33 0.00 0.00 177.39 174.42 1x4x s SER 69 N -4.11 3.07 0.36 -1.43 0.01 -1.26 -4.44 113.70 105.91 1x4x s SER 69 Ca 0.52 -0.56 -0.27 0.00 1.31 0.00 0.00 55.95 56.95 1x4x s SER 69 Cb -0.04 -0.29 -0.09 0.00 0.21 0.00 0.00 66.02 65.82 1x4x s SER 69 CO 0.33 0.26 1.21 -2.16 0.41 0.00 0.00 173.24 173.29 1x4x s PRO 70 N -1.13 4.22 -0.86 12.44 0.04 -1.19 -3.77 135.00 144.75 1x4x s PRO 70 Ca 0.11 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 63.10 1x4x s PRO 70 Cb -0.10 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.56 1x4x s PRO 70 CO 0.02 -0.21 0.73 0.00 0.04 0.00 0.00 177.00 177.57 1x4x n ALA 71 N 0.45 -1.64 -3.17 8.56 0.00 -0.73 -4.75 120.51 119.22 1x4x n ALA 71 Ca 0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 1x4x n ALA 71 Cb 0.45 -2.66 -0.15 0.00 0.00 0.00 0.00 19.45 17.09 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 -3.27 0.09 0.26 0.00 2.01 -1.24 -4.94 115.64 108.55 1x4x s THR 72 Ca 0.10 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 61.84 1x4x s THR 72 Cb -0.01 -0.13 -0.09 0.00 0.01 0.00 0.00 72.50 72.28 1x4x s THR 72 CO 0.55 0.06 0.92 -0.89 -0.69 0.00 0.00 174.62 174.56 1x4x s THR 73 N 0.36 4.18 0.10 -0.82 2.01 -1.26 -1.80 115.64 118.41 1x4x s THR 73 Ca -0.03 1.91 -0.02 0.00 0.31 0.00 0.00 61.69 63.86 1x4x s THR 73 Cb -0.05 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1x4x s THR 73 CO -0.01 0.35 0.04 -0.31 -0.69 0.00 0.00 174.62 174.00 1x4x s TYR 74 N -1.36 0.69 0.04 4.92 2.02 -0.23 -4.44 117.35 118.98 1x4x s TYR 74 Ca 0.44 -1.12 -0.07 0.00 -0.37 0.00 0.00 57.07 55.95 1x4x s TYR 74 Cb -0.22 -0.41 -0.01 0.00 -0.40 0.00 0.00 41.96 40.92 1x4x s TYR 74 CO 0.28 -0.48 0.13 0.71 -1.57 0.00 0.00 175.55 174.61 1x4x s TYR 75 N -3.99 0.15 -0.11 2.71 1.51 -1.23 -1.64 117.35 114.74 1x4x s TYR 75 Ca 0.17 -0.42 -0.11 0.00 -1.01 0.00 0.00 57.07 55.70 1x4x s TYR 75 Cb 0.07 -0.10 0.03 0.00 -0.11 0.00 0.00 41.96 41.85 1x4x s TYR 75 CO -0.03 -0.38 0.31 0.00 -1.11 0.00 0.00 175.55 174.33 1x4x s ARG 77 N 0.02 0.28 0.06 0.00 1.70 -1.11 -2.98 118.95 116.91 1x4x s ARG 77 Ca -0.01 0.11 0.09 0.00 -0.47 0.00 0.00 55.73 55.45 1x4x s ARG 77 Cb -0.02 -0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 33.81 1x4x s ARG 77 CO 0.01 -0.17 -0.23 0.54 -1.08 0.00 0.00 175.30 174.37 1x4x s VAL 78 N 1.21 2.44 0.11 4.99 0.11 -1.26 -2.17 120.40 125.82 1x4x s VAL 78 Ca -0.07 -1.37 -0.00 0.00 -2.93 0.00 0.00 61.98 57.61 1x4x s VAL 78 Cb -0.13 -2.01 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 1x4x s VAL 78 CO -0.02 0.31 0.01 0.00 -3.33 0.00 0.00 175.10 172.06 1x4x s GLN 79 N -1.47 0.86 -0.25 1.54 -2.07 -1.25 -2.32 119.66 114.71 1x4x s GLN 79 Ca 0.13 -1.38 -0.06 0.00 -1.82 0.00 0.00 55.36 52.24 1x4x s GLN 79 Cb -0.10 0.08 -0.01 0.00 -1.09 0.00 0.00 33.01 31.89 1x4x s GLN 79 CO 0.04 -0.16 0.02 0.00 -1.32 0.00 0.00 175.29 173.87 1x4x s ALA 80 N -3.88 2.99 -0.11 2.60 0.00 -1.26 -3.82 121.76 118.28 1x4x s ALA 80 Ca 0.18 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 1x4x s ALA 80 Cb 0.07 -1.93 -0.05 0.00 0.00 0.00 0.00 23.12 21.21 1x4x s ALA 80 CO -0.02 -0.56 0.24 -0.51 0.00 0.00 0.00 175.76 174.91 1x4x s LEU 81 N 1.53 4.36 0.00 0.00 1.02 -1.04 -0.37 118.68 124.17 1x4x s LEU 81 Ca 0.05 0.58 0.01 0.00 0.02 0.00 0.00 54.13 54.79 1x4x s LEU 81 Cb -0.15 -2.27 0.01 0.00 0.02 0.00 0.00 46.19 43.80 1x4x s LEU 81 CO 0.00 0.30 0.08 -1.54 0.02 0.00 0.00 176.35 175.21 1x4x n SER 82 N 2.44 2.37 -0.32 2.29 3.41 -1.12 -0.82 113.62 121.88 1x4x n SER 82 Ca -0.16 -2.03 0.12 0.00 -0.26 0.00 0.00 58.87 56.53 1x4x n SER 82 Cb 0.53 0.10 0.13 0.00 -0.26 0.00 0.00 64.21 64.72 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 -0.82 0.00 0.20 -3.33 0.24 -1.26 -4.07 118.33 109.29 1x4x n VAL 83 Ca -0.07 -0.17 0.02 0.00 -2.04 0.00 0.00 64.34 62.09 1x4x n VAL 83 Cb 0.31 0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 33.52 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 -0.51 0.00 0.00 3.34 3.14 -1.26 -5.09 118.33 117.95 1x4x n VAL 84 Ca 0.09 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1x4x n VAL 84 Cb 0.40 1.02 0.00 0.00 -1.06 0.00 0.00 33.84 34.20 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 0.95 1.00 3.60 7.55 0.00 -1.26 -4.93 105.19 112.10 1x4x n GLY 85 Ca 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1x4x n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4x s ALA 86 N -1.00 -2.23 0.76 4.61 0.00 -1.26 -2.79 121.76 119.85 1x4x s ALA 86 Ca 0.00 2.25 -0.11 0.00 0.00 0.00 0.00 51.96 54.10 1x4x s ALA 86 Cb 0.00 -1.71 0.05 0.00 0.00 0.00 0.00 23.12 21.46 1x4x s ALA 86 CO 0.00 -0.53 1.08 0.20 0.00 0.00 0.00 175.76 176.52 1x4x s GLY 87 N 1.78 1.67 0.84 0.00 0.00 0.50 -4.96 107.32 107.15 1x4x s GLY 87 Ca -0.08 0.20 -0.14 0.00 0.00 0.00 0.00 44.72 44.70 1x4x s GLY 87 CO -0.17 0.54 0.75 -1.55 0.00 0.00 0.00 173.10 172.67 1x4x n PRO 88 N -3.45 -2.48 -3.45 2.90 -0.04 -1.26 -4.47 135.00 122.75 1x4x n PRO 88 Ca 0.09 -1.20 -0.38 0.00 -0.04 0.00 0.00 63.50 61.97 1x4x n PRO 88 Cb 0.53 -1.12 -0.06 0.00 -0.04 0.00 0.00 33.50 32.81 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 -2.35 3.67 1.25 0.54 0.08 -1.26 -4.38 117.98 115.52 1x4x s PHE 89 Ca 0.49 0.96 -0.21 0.00 0.12 0.00 0.00 56.93 58.28 1x4x s PHE 89 Cb -0.05 -2.36 0.31 0.00 -0.57 0.00 0.00 43.02 40.35 1x4x s PHE 89 CO 0.37 0.51 1.01 -1.13 -0.10 0.00 0.00 175.22 175.87 1x4x n SER 90 N 2.36 -2.57 -4.65 1.36 3.41 -0.98 -4.79 113.62 107.76 1x4x n SER 90 Ca -0.12 -1.08 -0.43 0.00 -0.26 0.00 0.00 58.87 56.99 1x4x n SER 90 Cb 0.52 -0.97 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 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 -5.31 4.12 -0.24 4.33 0.41 -1.26 -4.82 118.70 115.92 1x4x s GLU 91 Ca 0.68 1.92 -0.35 0.00 -0.41 0.00 0.00 54.97 56.81 1x4x s GLU 91 Cb -0.08 -3.93 -0.12 0.00 -1.78 0.00 0.00 34.13 28.22 1x4x s GLU 91 CO 0.53 -0.89 2.01 0.28 -0.49 0.00 0.00 175.26 176.70 1x4x n VAL 92 N 5.63 0.35 -3.18 2.63 0.31 -1.26 -4.59 118.33 118.23 1x4x n VAL 92 Ca 0.17 -0.19 -0.44 0.00 -0.01 0.00 0.00 64.34 63.87 1x4x n VAL 92 Cb 0.44 -1.71 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 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 5.62 4.92 0.47 2.52 1.01 -1.16 -4.96 120.40 128.83 1x4x s VAL 93 Ca 1.01 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 1x4x s VAL 93 Cb -0.81 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.12 1x4x s VAL 93 CO 0.52 -0.92 0.99 0.00 0.00 0.00 0.00 175.10 175.70 1x4x s ALA 94 N 2.46 2.97 -0.24 5.51 0.00 -1.26 -3.47 121.76 127.71 1x4x s ALA 94 Ca 0.11 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 1x4x s ALA 94 Cb -0.23 -3.18 0.09 0.00 0.00 0.00 0.00 23.12 19.80 1x4x s ALA 94 CO 0.08 -0.14 0.57 0.00 0.00 0.00 0.00 175.76 176.27 1x4x s VAL 96 N 2.00 4.29 0.57 0.00 1.01 -1.26 -1.07 120.40 125.93 1x4x s VAL 96 Ca -0.08 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 1x4x s VAL 96 Cb -0.08 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1x4x s VAL 96 CO -0.17 0.20 1.26 0.42 0.00 0.00 0.00 175.10 176.82 1x4x s THR 97 N 1.58 2.42 0.51 3.92 -4.23 -0.75 -4.88 115.64 114.22 1x4x s THR 97 Ca 0.05 0.28 -0.21 0.00 -1.18 0.00 0.00 61.69 60.64 1x4x s THR 97 Cb -0.16 -3.13 -0.06 0.00 1.34 0.00 0.00 72.50 70.49 1x4x s THR 97 CO 0.04 -0.03 1.14 -2.16 -0.54 0.00 0.00 174.62 173.07 1x4x s PRO 98 N -3.11 3.52 0.48 3.99 0.04 -1.26 -1.77 135.00 136.88 1x4x s PRO 98 Ca 0.74 1.67 -0.22 0.00 0.04 0.00 0.00 61.00 63.24 1x4x s PRO 98 Cb -0.35 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.96 1x4x s PRO 98 CO 0.39 -0.73 1.16 -1.25 0.04 0.00 0.00 177.00 176.61 1x4x s PRO 99 N -3.05 3.68 -0.21 0.56 0.04 -1.26 -2.40 135.00 132.36 1x4x s PRO 99 Ca 0.69 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 1x4x s PRO 99 Cb -0.26 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 31.96 1x4x s PRO 99 CO 0.30 -0.61 -0.11 0.45 0.04 0.00 0.00 177.00 177.07 1x4x s SER 100 N -1.44 3.84 -0.05 6.66 0.15 -1.26 -4.88 113.70 116.72 1x4x s SER 100 Ca 0.65 -0.61 -0.04 0.00 0.70 0.00 0.00 55.95 56.65 1x4x s SER 100 Cb -0.28 -1.62 0.01 0.00 -1.71 0.00 0.00 66.02 62.43 1x4x s SER 100 CO 0.33 -0.04 0.13 -0.44 1.20 0.00 0.00 173.24 174.42 1x4x s SER 101 N 1.37 -0.13 0.00 5.45 0.01 -1.26 -5.06 113.70 114.08 1x4x s SER 101 Ca 0.04 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1x4x s SER 101 Cb -0.14 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1x4x s SER 101 CO -0.07 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1x4x n GLY 102 N 3.03 -0.93 3.57 3.44 0.00 -1.26 -5.10 105.19 107.94 1x4x n GLY 102 Ca -0.13 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.04 3.00 -0.08 1.61 0.04 -1.26 -4.87 135.00 133.41 1x4x s PRO 103 Ca 0.00 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 61.98 1x4x s PRO 103 Cb 0.00 -4.27 -0.02 0.00 0.04 0.00 0.00 34.50 30.24 1x4x s PRO 103 CO 0.00 -2.27 2.43 0.45 0.04 0.00 0.00 177.00 177.66 1x4x n SER 104 N 11.37 5.58 -3.11 6.66 2.88 -1.26 -4.81 113.62 130.93 1x4x n SER 104 Ca 0.21 -2.59 -0.12 0.00 -1.33 0.00 0.00 58.87 55.04 1x4x n SER 104 Cb 0.50 -1.19 -0.01 0.00 -0.75 0.00 0.00 64.21 62.75 1x4x n SER 104 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4x s SER 105 N 1.59 0.50 0.00 -3.46 1.04 -1.26 -5.34 113.70 106.77 1x4x s SER 105 Ca 0.25 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1x4x s SER 105 Cb 0.14 0.75 0.00 0.00 0.10 0.00 0.00 66.02 67.01 1x4x s SER 105 CO -0.01 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.34