#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 6.53 -0.13 1.61 1.04 -1.26 -5.03 113.70 116.46 1x4x s SER 2 Ca 0.00 1.35 -0.09 0.00 0.48 0.00 0.00 55.95 57.69 1x4x s SER 2 Cb 0.00 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 1x4x s SER 2 CO 0.00 -0.53 -0.18 -1.54 0.98 0.00 0.00 173.24 171.97 1x4x n SER 3 N -1.59 1.68 -3.12 7.02 3.41 -1.26 -4.90 113.62 114.85 1x4x n SER 3 Ca 0.05 0.59 -0.15 0.00 -0.26 0.00 0.00 58.87 59.09 1x4x n SER 3 Cb 0.54 -0.83 -0.05 0.00 -0.26 0.00 0.00 64.21 63.61 1x4x n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4x s GLY 4 N -4.16 -0.07 -0.36 5.00 0.00 -1.26 -5.08 107.32 101.38 1x4x s GLY 4 Ca -0.15 -1.31 0.04 0.00 0.00 0.00 0.00 44.72 43.30 1x4x s GLY 4 CO 0.22 2.89 0.08 -0.45 0.00 0.00 0.00 173.10 175.85 1x4x s SER 5 N 0.66 4.65 -0.76 1.64 0.15 -1.26 -5.05 113.70 113.73 1x4x s SER 5 Ca 0.29 -2.25 -0.15 0.00 0.70 0.00 0.00 55.95 54.53 1x4x s SER 5 Cb -0.01 -1.58 0.18 0.00 -1.71 0.00 0.00 66.02 62.90 1x4x s SER 5 CO -0.11 -0.36 0.75 -0.44 1.20 0.00 0.00 173.24 174.28 1x4x s SER 6 N 0.77 6.58 0.00 5.45 0.01 -1.26 -4.93 113.70 120.32 1x4x s SER 6 Ca 0.12 -2.32 0.00 0.00 1.31 0.00 0.00 55.95 55.06 1x4x s SER 6 Cb -0.20 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1x4x s SER 6 CO -0.08 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.45 1x4x n GLY 7 N 4.52 3.46 3.61 3.44 0.00 -1.26 -4.81 105.19 114.16 1x4x n GLY 7 Ca 0.07 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.61 -0.82 0.63 1.61 0.04 -1.26 -5.03 135.00 126.55 1x4x s PRO 8 Ca 0.00 0.08 -0.11 0.00 0.04 0.00 0.00 61.00 61.00 1x4x s PRO 8 Cb 0.00 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 1x4x s PRO 8 CO 0.00 -3.47 1.03 0.16 0.04 0.00 0.00 177.00 174.76 1x4x s ASP 9 N -3.78 6.05 0.86 6.66 -4.77 -1.26 -4.93 116.67 115.51 1x4x s ASP 9 Ca 0.69 1.48 -0.16 0.00 -3.30 0.00 0.00 52.55 51.26 1x4x s ASP 9 Cb -0.12 -2.48 -0.09 0.00 -1.09 0.00 0.00 42.92 39.14 1x4x s ASP 9 CO 0.56 -0.99 -0.21 1.67 0.70 0.00 0.00 175.17 176.91 1x4x n GLN 10 N -2.76 -0.01 -4.47 2.11 7.27 -1.26 -4.81 117.38 113.45 1x4x n GLN 10 Ca 0.06 0.02 -0.34 0.00 0.07 0.00 0.00 57.00 56.81 1x4x n GLN 10 Cb 0.54 -1.33 -0.12 0.00 2.41 0.00 0.00 30.24 31.74 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 -0.04 3.05 0.26 0.00 -2.85 -1.26 -4.06 119.74 114.84 1x4x s LYS 12 Ca 0.01 1.50 -0.29 0.00 -1.00 0.00 0.00 55.97 56.19 1x4x s LYS 12 Cb -0.13 -1.97 -0.09 0.00 -2.06 0.00 0.00 37.83 33.57 1x4x s LYS 12 CO 0.03 -1.07 1.26 -1.25 0.10 0.00 0.00 175.35 174.42 1x4x s PRO 13 N -3.71 4.43 0.84 1.78 0.04 -1.26 -4.77 135.00 132.34 1x4x s PRO 13 Ca 0.70 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.69 1x4x s PRO 13 Cb -0.22 -3.15 0.09 0.00 0.04 0.00 0.00 34.50 31.26 1x4x s PRO 13 CO 0.35 -0.13 1.09 -1.25 0.04 0.00 0.00 177.00 177.10 1x4x s PRO 14 N -1.02 1.73 -0.39 0.56 0.04 -1.26 -4.96 135.00 129.69 1x4x s PRO 14 Ca 0.51 0.98 -0.13 0.00 0.04 0.00 0.00 61.00 62.40 1x4x s PRO 14 Cb -0.37 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1x4x s PRO 14 CO 0.44 -1.96 0.26 -1.14 0.04 0.00 0.00 177.00 174.64 1x4x s GLN 15 N -4.92 2.91 -0.25 4.56 0.74 -0.21 -4.86 119.66 117.63 1x4x s GLN 15 Ca 0.62 -1.04 -0.28 0.00 0.05 0.00 0.00 55.36 54.71 1x4x s GLN 15 Cb -0.18 -3.88 0.01 0.00 1.10 0.00 0.00 33.01 30.07 1x4x s GLN 15 CO 0.56 -0.73 0.99 0.14 -0.55 0.00 0.00 175.29 175.70 1x4x s VAL 16 N 1.63 4.69 -0.63 1.34 -7.23 -1.26 -3.22 120.40 115.71 1x4x s VAL 16 Ca 0.04 1.83 -0.03 0.00 -1.81 0.00 0.00 61.98 62.01 1x4x s VAL 16 Cb -0.19 -4.28 0.16 0.00 0.56 0.00 0.00 36.38 32.63 1x4x s VAL 16 CO 0.09 -0.22 0.45 -0.89 -0.31 0.00 0.00 175.10 174.22 1x4x s THR 17 N 3.19 3.76 -0.16 5.32 2.01 0.49 -4.94 115.64 125.31 1x4x s THR 17 Ca 0.42 -2.98 -0.35 0.00 0.31 0.00 0.00 61.69 59.09 1x4x s THR 17 Cb -0.14 -3.45 -0.12 0.00 0.01 0.00 0.00 72.50 68.80 1x4x s THR 17 CO 0.08 -0.88 1.93 0.00 -0.69 0.00 0.00 174.62 175.06 1x4x h ARG 19 N 9.76 0.32 0.00 0.00 2.47 -1.75 -3.48 114.38 121.70 1x4x h ARG 19 Ca -0.45 -0.55 -0.07 0.00 -1.26 0.00 0.00 59.98 57.66 1x4x h ARG 19 Cb 1.28 0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 29.80 1x4x h ARG 19 CO 0.96 1.26 0.06 0.43 0.56 0.00 0.00 179.97 183.24 1x4x n SER 20 N -3.72 -1.06 -0.08 7.04 7.64 -1.08 -4.93 113.62 117.44 1x4x n SER 20 Ca -0.26 -1.93 0.10 0.00 1.01 0.00 0.00 58.87 57.79 1x4x n SER 20 Cb 1.00 1.82 0.47 0.00 -1.01 0.00 0.00 64.21 66.49 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 1.91 1.92 0.00 -0.43 0.00 -1.96 -2.48 119.26 118.23 1x4x h ALA 21 Ca -0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1x4x h ALA 21 Cb 0.67 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1x4x h ALA 21 CO 0.22 -0.03 -0.48 0.25 0.00 0.00 0.00 179.25 179.21 1x4x n THR 22 N -4.47 1.70 -4.15 0.00 -2.24 -1.26 -3.22 114.28 100.64 1x4x n THR 22 Ca 0.09 -2.55 -0.16 0.00 -2.27 0.00 0.00 64.05 59.16 1x4x n THR 22 Cb 0.29 -0.02 -0.12 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.08 -1.22 -0.01 0.00 0.00 -0.54 -2.18 121.76 116.73 1x4x s ALA 24 Ca -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 1x4x s ALA 24 Cb -0.08 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.85 1x4x s ALA 24 CO 0.01 -0.74 0.03 -1.14 0.00 0.00 0.00 175.76 173.92 1x4x s GLN 25 N -3.80 0.03 0.08 0.00 2.00 -1.07 -1.13 119.66 115.77 1x4x s GLN 25 Ca 0.04 0.06 0.09 0.00 -2.00 0.00 0.00 55.36 53.55 1x4x s GLN 25 Cb -0.00 -0.01 -0.04 0.00 0.80 0.00 0.00 33.01 33.76 1x4x s GLN 25 CO -0.10 -0.02 -0.21 0.08 -0.50 0.00 0.00 175.29 174.53 1x4x s VAL 26 N 0.14 2.59 -0.11 1.34 1.01 -0.99 -0.38 120.40 124.01 1x4x s VAL 26 Ca -0.01 -1.43 -0.05 0.00 0.00 0.00 0.00 61.98 60.49 1x4x s VAL 26 Cb -0.02 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.29 1x4x s VAL 26 CO -0.00 0.22 0.23 0.20 0.00 0.00 0.00 175.10 175.75 1x4x s ASN 27 N -1.75 0.07 0.38 3.32 0.01 -1.20 -3.18 114.94 112.59 1x4x s ASN 27 Ca 0.15 0.51 0.03 0.00 -0.71 0.00 0.00 52.86 52.83 1x4x s ASN 27 Cb -0.10 0.48 -0.01 0.00 0.41 0.00 0.00 41.25 42.02 1x4x s ASN 27 CO 0.06 -0.20 0.09 -2.67 -1.51 0.00 0.00 177.10 172.88 1x4x n TRP 28 N 4.73 0.38 -4.16 2.20 2.14 -1.21 -1.04 117.44 120.48 1x4x n TRP 28 Ca -0.17 -2.27 -0.13 0.00 2.07 0.00 0.00 57.50 57.01 1x4x n TRP 28 Cb 0.51 -0.09 -0.08 0.00 -0.81 0.00 0.00 31.31 30.85 1x4x n TRP 28 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 1x4x s GLU 29 N -3.43 1.47 -0.12 -2.67 -1.05 -1.26 -4.89 118.70 106.75 1x4x s GLU 29 Ca 0.13 -1.64 -0.12 0.00 -0.15 0.00 0.00 54.97 53.19 1x4x s GLU 29 Cb 0.01 0.35 -0.05 0.00 -0.44 0.00 0.00 34.13 33.99 1x4x s GLU 29 CO 0.09 -0.55 0.26 0.08 0.95 0.00 0.00 175.26 176.10 1x4x s VAL 30 N -3.84 5.31 1.15 1.83 1.01 -1.26 -4.83 120.40 119.78 1x4x s VAL 30 Ca 0.35 0.49 -0.17 0.00 0.00 0.00 0.00 61.98 62.64 1x4x s VAL 30 Cb 0.04 -3.57 0.26 0.00 0.00 0.00 0.00 36.38 33.11 1x4x s VAL 30 CO 0.15 0.50 1.11 -2.16 0.00 0.00 0.00 175.10 174.70 1x4x s PRO 31 N -0.27 -0.83 -1.03 2.72 0.04 -1.26 -4.88 135.00 129.49 1x4x s PRO 31 Ca 0.17 0.08 -0.23 0.00 0.04 0.00 0.00 61.00 61.05 1x4x s PRO 31 Cb -0.13 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 1x4x s PRO 31 CO 0.05 -3.48 1.85 -0.51 0.04 0.00 0.00 177.00 174.96 1x4x s LEU 32 N -6.82 3.24 -0.11 -3.56 1.43 -1.26 -4.89 118.68 106.71 1x4x s LEU 32 Ca 0.69 -1.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1x4x s LEU 32 Cb -0.12 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.56 1x4x s LEU 32 CO 0.56 -2.53 -0.03 -0.94 0.23 0.00 0.00 176.35 173.65 1x4x s SER 33 N 6.82 2.02 -0.17 2.29 1.04 -1.26 -4.47 113.70 119.97 1x4x s SER 33 Ca 0.65 -0.28 -0.09 0.00 0.48 0.00 0.00 55.95 56.71 1x4x s SER 33 Cb -0.03 -0.63 -0.07 0.00 0.10 0.00 0.00 66.02 65.38 1x4x s SER 33 CO 0.03 -0.18 -0.22 -0.46 0.98 0.00 0.00 173.24 173.39 1x4x n ASN 34 N 5.04 1.23 0.00 7.02 0.23 -1.26 -4.88 115.26 122.64 1x4x n ASN 34 Ca -0.09 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 1x4x n ASN 34 Cb 0.50 -0.51 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 1x4x n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x4x n GLY 35 N 1.91 -2.33 3.75 4.83 0.00 -1.26 -4.71 105.19 107.39 1x4x n GLY 35 Ca -0.34 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.23 3.90 0.13 2.61 -1.32 -1.26 -5.05 115.64 114.42 1x4x s THR 36 Ca 0.00 1.82 -0.01 0.00 -1.21 0.00 0.00 61.69 62.29 1x4x s THR 36 Cb 0.00 -4.16 -0.04 0.00 -1.51 0.00 0.00 72.50 66.79 1x4x s THR 36 CO 0.00 0.39 0.31 -0.62 -2.21 0.00 0.00 174.62 172.49 1x4x s ASP 37 N -0.75 6.40 -0.50 8.08 2.15 -1.26 -4.89 116.67 125.90 1x4x s ASP 37 Ca 0.44 0.38 -0.28 0.00 0.43 0.00 0.00 52.55 53.51 1x4x s ASP 37 Cb -0.28 -2.00 0.01 0.00 -0.30 0.00 0.00 42.92 40.35 1x4x s ASP 37 CO 0.35 0.07 1.37 -0.69 -0.17 0.00 0.00 175.17 176.10 1x4x s VAL 38 N -1.67 3.89 0.08 1.11 1.01 -1.26 -4.51 120.40 119.05 1x4x s VAL 38 Ca 0.37 0.84 -0.26 0.00 0.00 0.00 0.00 61.98 62.93 1x4x s VAL 38 Cb -0.12 -4.38 -0.11 0.00 0.00 0.00 0.00 36.38 31.77 1x4x s VAL 38 CO 0.27 -1.00 1.42 0.71 0.00 0.00 0.00 175.10 176.50 1x4x h THR 39 N 6.39 0.00 -4.16 3.92 1.35 0.39 -3.46 112.91 117.34 1x4x h THR 39 Ca -0.26 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.39 1x4x h THR 39 Cb 1.09 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 67.40 1x4x h THR 39 CO 1.14 0.00 -0.32 -1.83 -0.25 0.00 0.00 175.52 174.26 1x4x s GLU 40 N -5.06 1.56 -0.18 4.72 4.04 -1.25 -4.60 118.70 117.92 1x4x s GLU 40 Ca -0.12 -1.56 0.00 0.00 0.04 0.00 0.00 54.97 53.33 1x4x s GLU 40 Cb 0.05 0.39 0.04 0.00 0.02 0.00 0.00 34.13 34.63 1x4x s GLU 40 CO 0.46 -0.61 -0.09 0.71 -1.84 0.00 0.00 175.26 173.89 1x4x s TYR 41 N -3.75 2.17 -0.37 4.83 1.51 0.65 -2.66 117.35 119.72 1x4x s TYR 41 Ca 0.31 -1.40 -0.12 0.00 -1.01 0.00 0.00 57.07 54.85 1x4x s TYR 41 Cb 0.02 -1.53 0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1x4x s TYR 41 CO 0.14 -0.70 0.24 1.03 -1.11 0.00 0.00 175.55 175.15 1x4x s ARG 42 N 1.48 3.02 -0.25 -0.62 0.52 -1.26 -2.66 118.95 119.18 1x4x s ARG 42 Ca 0.00 -0.96 -0.14 0.00 -0.52 0.00 0.00 55.73 54.11 1x4x s ARG 42 Cb -0.16 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.47 1x4x s ARG 42 CO -0.08 -0.65 0.33 -1.17 0.02 0.00 0.00 175.30 173.75 1x4x s LEU 43 N 1.62 4.07 -0.23 2.53 2.96 -0.78 -4.10 118.68 124.75 1x4x s LEU 43 Ca 0.04 0.29 -0.11 0.00 -0.22 0.00 0.00 54.13 54.12 1x4x s LEU 43 Cb -0.19 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 1x4x s LEU 43 CO 0.08 -0.11 0.18 -1.61 -1.32 0.00 0.00 176.35 173.57 1x4x s GLU 44 N 1.73 4.09 -0.05 1.98 2.02 -0.50 -2.64 118.70 125.33 1x4x s GLU 44 Ca 0.14 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 54.92 1x4x s GLU 44 Cb -0.15 -3.53 0.02 0.00 0.10 0.00 0.00 34.13 30.57 1x4x s GLU 44 CO 0.09 0.07 -0.05 -0.46 0.02 0.00 0.00 175.26 174.93 1x4x s TRP 45 N 1.02 0.80 -0.16 1.61 -0.11 0.14 -1.28 118.94 120.96 1x4x s TRP 45 Ca 0.09 -0.23 -0.10 0.00 1.22 0.00 0.00 56.10 57.07 1x4x s TRP 45 Cb -0.13 -0.71 0.05 0.00 -1.50 0.00 0.00 33.47 31.18 1x4x s TRP 45 CO 0.04 -0.21 0.40 0.20 -4.62 0.00 0.00 176.95 172.76 1x4x s GLY 46 N 1.01 -0.32 0.10 5.86 0.00 -1.17 -3.93 107.32 108.86 1x4x s GLY 46 Ca -0.10 1.43 -0.19 0.00 0.00 0.00 0.00 44.72 45.87 1x4x s GLY 46 CO -0.00 1.52 1.28 0.61 0.00 0.00 0.00 173.10 176.50 1x4x n GLY 47 N 3.96 -2.67 3.69 0.20 0.00 -1.26 -3.30 105.19 105.81 1x4x n GLY 47 Ca -0.21 0.92 -0.36 0.00 0.00 0.00 0.00 46.02 46.37 1x4x n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x4x s VAL 48 N -4.56 5.34 0.44 1.61 1.01 -1.26 -3.75 120.40 119.24 1x4x s VAL 48 Ca -0.07 0.31 0.21 0.00 0.00 0.00 0.00 61.98 62.43 1x4x s VAL 48 Cb 0.07 -3.54 0.41 0.00 0.00 0.00 0.00 36.38 33.31 1x4x s VAL 48 CO 0.37 0.37 1.84 1.05 0.00 0.00 0.00 175.10 178.73 1x4x h GLU 49 N 7.11 0.30 -0.96 2.72 -0.00 -1.92 0.39 114.58 122.23 1x4x h GLU 49 Ca -0.39 -0.02 0.17 0.00 -0.00 0.00 0.00 59.36 59.12 1x4x h GLU 49 Cb 1.16 -0.07 -0.09 0.00 -0.00 0.00 0.00 28.75 29.76 1x4x h GLU 49 CO 0.71 0.20 0.61 0.78 -0.00 0.00 0.00 179.01 181.31 1x4x h GLY 50 N 0.31 1.43 -7.15 1.06 0.00 -1.93 -3.34 103.07 93.45 1x4x h GLY 50 Ca 0.50 -0.32 -0.58 0.00 0.00 0.00 0.00 47.33 46.93 1x4x h GLY 50 CO -0.17 0.03 -0.76 -0.45 0.00 0.00 0.00 176.54 175.19 1x4x s SER 51 N -5.60 3.97 0.18 0.19 0.15 0.13 -5.12 113.70 107.59 1x4x s SER 51 Ca -0.10 -1.58 0.10 0.00 0.70 0.00 0.00 55.95 55.06 1x4x s SER 51 Cb 0.23 -0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 63.66 1x4x s SER 51 CO 0.80 -0.41 -0.21 -0.04 1.20 0.00 0.00 173.24 174.57 1x4x s MET 52 N 1.64 1.40 0.27 5.44 -1.94 -1.25 -4.38 119.30 120.48 1x4x s MET 52 Ca 0.09 -1.46 -0.07 0.00 -1.71 0.00 0.00 55.69 52.54 1x4x s MET 52 Cb -0.17 -1.61 -0.01 0.00 2.01 0.00 0.00 34.83 35.05 1x4x s MET 52 CO -0.25 0.34 0.41 1.14 -0.01 0.00 0.00 175.02 176.65 1x4x s GLN 53 N -2.69 1.62 0.21 2.03 -2.07 -1.25 -4.97 119.66 112.54 1x4x s GLN 53 Ca 0.18 -1.52 -0.28 0.00 -1.82 0.00 0.00 55.36 51.92 1x4x s GLN 53 Cb -0.07 0.42 -0.09 0.00 -1.09 0.00 0.00 33.01 32.18 1x4x s GLN 53 CO 0.08 -0.65 0.88 0.42 -1.32 0.00 0.00 175.29 174.70 1x4x s ILE 54 N -3.68 4.17 0.00 3.63 1.01 -1.26 -0.68 121.20 124.39 1x4x s ILE 54 Ca 0.29 1.96 0.00 0.00 0.00 0.00 0.00 60.65 62.89 1x4x s ILE 54 Cb 0.01 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1x4x s ILE 54 CO 0.14 0.51 0.00 0.00 0.00 0.00 0.00 174.94 175.59 1x4x s TYR 56 N -1.57 0.18 -0.01 0.00 6.14 -1.23 -5.07 117.35 115.79 1x4x s TYR 56 Ca 0.00 0.03 0.01 0.00 0.64 0.00 0.00 57.07 57.75 1x4x s TYR 56 Cb 0.00 -0.26 0.01 0.00 0.42 0.00 0.00 41.96 42.13 1x4x s TYR 56 CO 0.00 -0.08 -0.03 0.00 0.64 0.00 0.00 175.55 176.08 1x4x n GLY 58 N 3.41 1.71 0.12 0.00 0.00 -1.09 -4.92 105.19 104.42 1x4x n GLY 58 Ca -0.18 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.55 0.17 -0.89 1.61 -0.04 -1.26 -0.26 135.00 132.77 1x4x n PRO 59 Ca 0.00 0.41 -0.36 0.00 -0.04 0.00 0.00 63.50 63.51 1x4x n PRO 59 Cb 0.00 -1.83 0.08 0.00 -0.04 0.00 0.00 33.50 31.71 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 -0.02 -3.18 0.00 0.55 0.00 -1.26 -4.77 105.19 96.51 1x4x n GLY 60 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.61 0.00 -4.25 0.99 4.77 -1.26 -4.74 117.00 114.12 1x4x n LEU 61 Ca -0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1x4x n LEU 61 Cb 0.64 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.58 1x4x n LEU 61 CO 0.49 0.00 -0.54 -0.94 -1.33 0.00 0.00 177.39 175.07 1x4x s SER 62 N -2.06 2.63 0.01 -1.43 1.04 -1.26 -3.36 113.70 109.27 1x4x s SER 62 Ca 0.00 -0.43 -0.07 0.00 0.48 0.00 0.00 55.95 55.93 1x4x s SER 62 Cb 0.00 -0.28 -0.00 0.00 0.10 0.00 0.00 66.02 65.84 1x4x s SER 62 CO 0.00 0.26 0.13 -0.47 0.98 0.00 0.00 173.24 174.14 1x4x s TYR 63 N -0.58 0.06 -0.18 5.02 5.04 -1.19 -5.07 117.35 120.45 1x4x s TYR 63 Ca 0.09 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.54 1x4x s TYR 63 Cb -0.09 -0.06 0.01 0.00 0.35 0.00 0.00 41.96 42.17 1x4x s TYR 63 CO -0.00 -0.29 -0.16 -2.00 -1.34 0.00 0.00 175.55 171.76 1x4x s GLU 64 N -1.48 3.14 -0.07 4.97 2.12 -1.26 -2.34 118.70 123.77 1x4x s GLU 64 Ca -0.14 -0.77 -0.04 0.00 0.36 0.00 0.00 54.97 54.38 1x4x s GLU 64 Cb -0.07 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 1x4x s GLU 64 CO 0.01 -0.12 0.13 0.42 -0.54 0.00 0.00 175.26 175.16 1x4x s ILE 65 N 1.13 5.22 0.30 -3.70 1.01 -0.28 -5.02 121.20 119.86 1x4x s ILE 65 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.64 1x4x s ILE 65 Cb -0.14 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 1x4x s ILE 65 CO -0.06 0.50 0.30 -0.54 0.00 0.00 0.00 174.94 175.14 1x4x s LYS 66 N -1.36 1.65 -0.71 2.79 1.02 -1.26 -1.47 119.74 120.41 1x4x s LYS 66 Ca 0.19 -1.82 -0.02 0.00 0.02 0.00 0.00 55.97 54.34 1x4x s LYS 66 Cb -0.12 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 1x4x s LYS 66 CO 0.09 -0.62 0.60 0.41 -0.92 0.00 0.00 175.35 174.91 1x4x n GLY 67 N -0.51 0.03 3.08 -3.33 0.00 -0.84 -4.98 105.19 98.64 1x4x n GLY 67 Ca 0.04 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.86 0.00 -4.40 0.99 4.77 -0.85 -5.06 117.00 109.60 1x4x n LEU 68 Ca -0.11 -2.20 -0.31 0.00 -0.03 0.00 0.00 56.01 53.36 1x4x n LEU 68 Cb 0.57 -0.13 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1x4x n LEU 68 CO 0.35 -0.57 -0.52 -0.55 -1.33 0.00 0.00 177.39 174.77 1x4x s SER 69 N -3.68 3.53 0.71 -1.43 0.15 -1.26 -4.47 113.70 107.24 1x4x s SER 69 Ca 0.33 -0.40 -0.13 0.00 0.70 0.00 0.00 55.95 56.45 1x4x s SER 69 Cb -0.03 -0.54 0.02 0.00 -1.71 0.00 0.00 66.02 63.77 1x4x s SER 69 CO 0.21 0.30 1.10 -2.16 1.20 0.00 0.00 173.24 173.89 1x4x s PRO 70 N -0.93 2.57 -1.38 5.44 0.04 -1.20 -3.82 135.00 135.72 1x4x s PRO 70 Ca 0.12 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 1x4x s PRO 70 Cb -0.10 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1x4x s PRO 70 CO 0.01 -1.42 0.38 0.00 0.04 0.00 0.00 177.00 176.02 1x4x n ALA 71 N -2.89 -2.19 -3.38 8.56 0.00 -0.65 -4.89 120.51 115.07 1x4x n ALA 71 Ca 0.10 -0.37 -0.17 0.00 0.00 0.00 0.00 53.44 53.00 1x4x n ALA 71 Cb 0.52 -1.82 -0.16 0.00 0.00 0.00 0.00 19.45 18.00 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 -3.95 0.27 0.20 0.00 2.01 -1.25 -4.94 115.64 107.97 1x4x s THR 72 Ca 0.15 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1x4x s THR 72 Cb -0.07 -0.30 -0.08 0.00 0.01 0.00 0.00 72.50 72.05 1x4x s THR 72 CO 0.93 0.13 1.19 -0.89 -0.69 0.00 0.00 174.62 175.30 1x4x s THR 73 N 0.61 3.53 0.21 -0.82 2.01 -1.26 -2.73 115.64 117.19 1x4x s THR 73 Ca -0.06 1.31 0.02 0.00 0.31 0.00 0.00 61.69 63.27 1x4x s THR 73 Cb -0.10 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1x4x s THR 73 CO -0.01 0.22 0.01 -0.31 -0.69 0.00 0.00 174.62 173.85 1x4x s TYR 74 N -0.17 1.38 0.11 4.92 2.02 0.60 -4.44 117.35 121.77 1x4x s TYR 74 Ca 0.52 -1.01 -0.09 0.00 -0.37 0.00 0.00 57.07 56.12 1x4x s TYR 74 Cb -0.33 -0.79 0.00 0.00 -0.40 0.00 0.00 41.96 40.44 1x4x s TYR 74 CO 0.37 -0.17 0.23 0.71 -1.57 0.00 0.00 175.55 175.13 1x4x s TYR 75 N -3.59 0.17 -0.09 2.71 2.02 -1.21 -1.76 117.35 115.60 1x4x s TYR 75 Ca 0.27 -0.58 -0.26 0.00 -0.37 0.00 0.00 57.07 56.14 1x4x s TYR 75 Cb 0.06 -0.03 0.06 0.00 -0.40 0.00 0.00 41.96 41.65 1x4x s TYR 75 CO 0.07 -0.60 0.60 0.00 -1.57 0.00 0.00 175.55 174.05 1x4x s ARG 77 N -0.82 0.12 0.13 0.00 1.70 -0.41 -2.60 118.95 117.07 1x4x s ARG 77 Ca -0.09 0.46 0.11 0.00 -0.47 0.00 0.00 55.73 55.74 1x4x s ARG 77 Cb -0.02 -0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.15 1x4x s ARG 77 CO 0.07 -0.19 -0.26 0.54 -1.08 0.00 0.00 175.30 174.38 1x4x s VAL 78 N 1.39 2.19 0.17 4.99 0.11 -1.26 -1.41 120.40 126.58 1x4x s VAL 78 Ca -0.07 -1.74 -0.11 0.00 -2.93 0.00 0.00 61.98 57.13 1x4x s VAL 78 Cb -0.11 -1.95 -0.00 0.00 -1.53 0.00 0.00 36.38 32.79 1x4x s VAL 78 CO -0.07 0.06 0.33 0.00 -3.33 0.00 0.00 175.10 172.10 1x4x s GLN 79 N -2.07 1.20 -0.23 1.54 -2.07 -1.26 -1.84 119.66 114.93 1x4x s GLN 79 Ca 0.13 -1.10 -0.09 0.00 -1.82 0.00 0.00 55.36 52.49 1x4x s GLN 79 Cb -0.10 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 1x4x s GLN 79 CO 0.06 -0.45 0.11 0.00 -1.32 0.00 0.00 175.29 173.68 1x4x s ALA 80 N -3.94 3.42 -0.18 2.60 0.00 -1.26 -4.16 121.76 118.23 1x4x s ALA 80 Ca 0.15 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 1x4x s ALA 80 Cb 0.02 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 1x4x s ALA 80 CO -0.01 -0.19 0.23 -0.51 0.00 0.00 0.00 175.76 175.28 1x4x s LEU 81 N 1.05 4.22 0.00 0.00 1.02 -1.09 0.41 118.68 124.30 1x4x s LEU 81 Ca 0.06 0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.59 1x4x s LEU 81 Cb -0.14 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.82 1x4x s LEU 81 CO 0.04 0.12 0.02 -1.54 0.02 0.00 0.00 176.35 175.01 1x4x n SER 82 N 3.62 2.83 -0.80 2.29 3.41 -0.70 0.10 113.62 124.37 1x4x n SER 82 Ca -0.13 -2.39 0.07 0.00 -0.26 0.00 0.00 58.87 56.15 1x4x n SER 82 Cb 0.52 0.20 0.19 0.00 -0.26 0.00 0.00 64.21 64.86 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 -0.84 0.61 0.00 -3.33 0.24 -1.26 -3.99 118.33 109.75 1x4x n VAL 83 Ca -0.12 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1x4x n VAL 83 Cb 0.41 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 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 0.72 0.00 -3.61 3.34 3.14 -1.26 -5.13 118.33 115.54 1x4x n VAL 84 Ca 0.14 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.50 1x4x n VAL 84 Cb 0.37 -0.49 -0.01 0.00 -1.06 0.00 0.00 33.84 32.65 1x4x n VAL 84 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1x4x s GLY 85 N -2.07 -0.34 -0.37 7.55 0.00 -1.26 -4.99 107.32 105.84 1x4x s GLY 85 Ca 0.00 1.15 -0.16 0.00 0.00 0.00 0.00 44.72 45.72 1x4x s GLY 85 CO 0.00 0.34 0.37 0.00 0.00 0.00 0.00 173.10 173.81 1x4x s ALA 86 N -2.52 3.48 0.98 3.20 0.00 -1.26 -1.72 121.76 123.92 1x4x s ALA 86 Ca 0.11 -1.33 -0.15 0.00 0.00 0.00 0.00 51.96 50.59 1x4x s ALA 86 Cb 0.01 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1x4x s ALA 86 CO -0.04 -1.22 0.07 0.41 0.00 0.00 0.00 175.76 174.98 1x4x n GLY 87 N 5.02 -2.60 3.77 0.00 0.00 0.17 -4.93 105.19 106.61 1x4x n GLY 87 Ca -0.09 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 1x4x n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4x s PRO 88 N -3.26 2.76 -0.20 1.61 0.04 -1.26 -4.49 135.00 130.20 1x4x s PRO 88 Ca 0.53 1.37 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 1x4x s PRO 88 Cb -0.18 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1x4x s PRO 88 CO 0.70 -1.28 0.89 -0.06 0.04 0.00 0.00 177.00 177.29 1x4x s PHE 89 N -2.39 3.38 1.07 0.56 0.08 -1.26 -4.44 117.98 114.99 1x4x s PHE 89 Ca 0.66 1.30 -0.22 0.00 0.12 0.00 0.00 56.93 58.79 1x4x s PHE 89 Cb -0.20 -3.09 -0.02 0.00 -0.57 0.00 0.00 43.02 39.14 1x4x s PHE 89 CO 0.43 -0.33 -0.63 -1.13 -0.10 0.00 0.00 175.22 173.45 1x4x n SER 90 N 5.66 -2.64 -4.62 1.36 3.41 -0.77 -4.74 113.62 111.28 1x4x n SER 90 Ca 0.07 -0.08 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 1x4x n SER 90 Cb 0.48 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 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 -2.86 3.54 -0.35 4.33 2.02 -1.26 -4.76 118.70 119.36 1x4x s GLU 91 Ca 0.48 1.90 -0.37 0.00 0.02 0.00 0.00 54.97 57.00 1x4x s GLU 91 Cb -0.03 -4.20 -0.16 0.00 0.10 0.00 0.00 34.13 29.84 1x4x s GLU 91 CO 0.66 -1.62 1.22 0.28 0.02 0.00 0.00 175.26 175.82 1x4x n VAL 92 N 6.91 0.00 -3.26 2.63 0.31 -1.26 -4.79 118.33 118.87 1x4x n VAL 92 Ca 0.23 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 64.12 1x4x n VAL 92 Cb 0.45 -0.35 -0.06 0.00 -0.91 0.00 0.00 33.84 32.96 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 2.10 5.05 0.31 2.52 1.01 -1.07 -4.95 120.40 125.38 1x4x s VAL 93 Ca 0.82 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1x4x s VAL 93 Cb -1.17 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 30.85 1x4x s VAL 93 CO 0.63 -0.77 0.97 0.00 0.00 0.00 0.00 175.10 175.93 1x4x s ALA 94 N 2.13 3.24 -0.26 5.51 0.00 -1.26 -3.37 121.76 127.74 1x4x s ALA 94 Ca 0.09 0.60 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 1x4x s ALA 94 Cb -0.23 -3.21 0.08 0.00 0.00 0.00 0.00 23.12 19.75 1x4x s ALA 94 CO 0.08 0.10 0.65 0.00 0.00 0.00 0.00 175.76 176.58 1x4x s VAL 96 N 1.47 2.99 0.71 0.00 1.01 -1.26 -0.29 120.40 125.03 1x4x s VAL 96 Ca -0.09 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1x4x s VAL 96 Cb -0.05 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1x4x s VAL 96 CO -0.17 0.43 1.23 0.42 0.00 0.00 0.00 175.10 177.01 1x4x s THR 97 N 1.42 2.24 0.52 3.92 -4.23 -1.10 -4.85 115.64 113.55 1x4x s THR 97 Ca 0.05 0.13 -0.20 0.00 -1.18 0.00 0.00 61.69 60.48 1x4x s THR 97 Cb -0.14 -2.79 -0.06 0.00 1.34 0.00 0.00 72.50 70.85 1x4x s THR 97 CO -0.06 -0.06 1.14 -2.16 -0.54 0.00 0.00 174.62 172.95 1x4x s PRO 98 N -3.77 3.46 0.27 3.99 0.04 -1.26 -1.64 135.00 136.08 1x4x s PRO 98 Ca 0.76 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 63.17 1x4x s PRO 98 Cb -0.31 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.02 1x4x s PRO 98 CO 0.44 -0.77 1.26 -1.25 0.04 0.00 0.00 177.00 176.71 1x4x s PRO 99 N -3.13 4.44 -0.39 0.56 0.04 -1.26 -2.80 135.00 132.46 1x4x s PRO 99 Ca 0.70 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.80 1x4x s PRO 99 Cb -0.25 -3.15 0.40 0.00 0.04 0.00 0.00 34.50 31.54 1x4x s PRO 99 CO 0.29 -0.11 1.83 0.45 0.04 0.00 0.00 177.00 179.49 1x4x n SER 100 N 1.60 5.19 -4.56 6.66 2.88 -1.26 -4.89 113.62 119.24 1x4x n SER 100 Ca 0.02 -3.25 -0.36 0.00 -1.33 0.00 0.00 58.87 53.96 1x4x n SER 100 Cb 0.43 -0.88 -0.04 0.00 -0.75 0.00 0.00 64.21 62.98 1x4x n SER 100 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4x s SER 101 N -0.65 5.76 0.00 -3.46 0.15 -1.26 -4.27 113.70 109.96 1x4x s SER 101 Ca 0.43 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1x4x s SER 101 Cb 0.35 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1x4x s SER 101 CO 0.04 -2.14 0.00 0.61 1.20 0.00 0.00 173.24 172.94 1x4x n GLY 102 N 6.44 0.93 3.70 9.45 0.00 -1.26 -5.08 105.19 119.38 1x4x n GLY 102 Ca 0.29 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.13 4.30 0.35 1.61 0.04 -1.26 -5.03 135.00 134.88 1x4x s PRO 103 Ca 0.00 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.11 1x4x s PRO 103 Cb 0.00 -3.42 -0.06 0.00 0.04 0.00 0.00 34.50 31.05 1x4x s PRO 103 CO 0.00 -0.51 0.05 -1.12 0.04 0.00 0.00 177.00 175.46 1x4x s SER 104 N 1.54 2.75 0.00 6.66 0.01 -1.26 -5.07 113.70 118.33 1x4x s SER 104 Ca 0.65 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.51 1x4x s SER 104 Cb -0.34 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.77 1x4x s SER 104 CO 0.29 -0.59 0.00 -1.54 0.41 0.00 0.00 173.24 171.81 1x4x n SER 105 N -0.78 3.06 0.00 2.44 3.41 -1.26 -5.29 113.62 115.20 1x4x n SER 105 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1x4x n SER 105 Cb 0.67 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1x4x n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49