#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4x h SER 2 N 0.00 0.09 -2.46 1.61 4.64 -2.07 -3.37 113.55 111.99 1x4x h SER 2 Ca 0.00 0.16 -0.33 0.00 -0.47 0.00 0.00 61.79 61.15 1x4x h SER 2 Cb 0.00 0.20 -0.35 0.00 -0.31 0.00 0.00 62.40 61.93 1x4x h SER 2 CO 0.00 -0.05 -0.63 -0.44 -0.87 0.00 0.00 176.83 174.83 1x4x s SER 3 N -5.20 1.53 0.00 4.97 0.01 -1.26 -5.08 113.70 108.67 1x4x s SER 3 Ca -0.12 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1x4x s SER 3 Cb 0.23 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1x4x s SER 3 CO 0.77 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.68 1x4x n GLY 4 N 5.31 2.55 3.78 3.44 0.00 -1.26 -5.08 105.19 113.94 1x4x n GLY 4 Ca -0.05 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 6.80 0.01 1.61 0.01 -1.26 -3.06 113.70 117.80 1x4x s SER 5 Ca 0.00 2.02 0.01 0.00 1.31 0.00 0.00 55.95 59.28 1x4x s SER 5 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 1x4x s SER 5 CO 0.00 -0.46 -0.03 -0.55 0.41 0.00 0.00 173.24 172.61 1x4x s SER 6 N -1.58 0.32 0.00 2.44 0.15 -1.26 -4.99 113.70 108.78 1x4x s SER 6 Ca 0.57 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1x4x s SER 6 Cb -0.21 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1x4x s SER 6 CO 0.27 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1x4x n GLY 7 N 2.50 2.36 3.64 9.45 0.00 -1.26 -5.07 105.19 116.82 1x4x n GLY 7 Ca -0.16 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 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 -4.34 -0.19 0.56 1.61 0.04 -1.26 -5.03 135.00 126.40 1x4x s PRO 8 Ca 0.00 0.31 -0.08 0.00 0.04 0.00 0.00 61.00 61.28 1x4x s PRO 8 Cb 0.00 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.83 1x4x s PRO 8 CO 0.00 -3.10 0.91 -0.51 0.04 0.00 0.00 177.00 174.33 1x4x s ASP 9 N -3.58 6.07 0.48 6.66 1.01 -1.26 -4.89 116.67 121.15 1x4x s ASP 9 Ca 0.67 1.06 -0.19 0.00 0.71 0.00 0.00 52.55 54.80 1x4x s ASP 9 Cb -0.16 -2.20 -0.13 0.00 1.01 0.00 0.00 42.92 41.44 1x4x s ASP 9 CO 0.57 -0.82 0.19 1.67 0.21 0.00 0.00 175.17 176.99 1x4x n GLN 10 N -2.53 0.21 -3.71 8.23 7.27 -1.26 -4.83 117.38 120.76 1x4x n GLN 10 Ca 0.03 0.08 -0.36 0.00 0.07 0.00 0.00 57.00 56.83 1x4x n GLN 10 Cb 0.55 -1.25 -0.07 0.00 2.41 0.00 0.00 30.24 31.88 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 0.08 3.27 0.31 0.00 1.02 -1.26 -3.91 119.74 119.24 1x4x s LYS 12 Ca 0.11 1.34 -0.29 0.00 0.02 0.00 0.00 55.97 57.16 1x4x s LYS 12 Cb -0.12 -2.02 -0.10 0.00 -0.52 0.00 0.00 37.83 35.08 1x4x s LYS 12 CO 0.01 -0.87 1.23 -1.25 -0.92 0.00 0.00 175.35 173.54 1x4x s PRO 13 N -3.82 4.47 1.23 -1.68 0.04 -1.26 -4.79 135.00 129.18 1x4x s PRO 13 Ca 0.66 2.06 -0.20 0.00 0.04 0.00 0.00 61.00 63.56 1x4x s PRO 13 Cb -0.18 -3.12 0.30 0.00 0.04 0.00 0.00 34.50 31.54 1x4x s PRO 13 CO 0.34 -0.03 1.11 -1.25 0.04 0.00 0.00 177.00 177.21 1x4x s PRO 14 N -1.64 -1.45 -0.24 0.56 0.04 -1.26 -4.96 135.00 126.06 1x4x s PRO 14 Ca 0.47 -0.15 -0.02 0.00 0.04 0.00 0.00 61.00 61.34 1x4x s PRO 14 Cb -0.37 -1.58 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1x4x s PRO 14 CO 0.48 -3.84 -0.05 -1.14 0.04 0.00 0.00 177.00 172.48 1x4x s GLN 15 N -5.47 3.01 -0.05 4.56 2.00 0.55 -4.88 119.66 119.39 1x4x s GLN 15 Ca 0.72 -0.87 -0.17 0.00 -2.00 0.00 0.00 55.36 53.04 1x4x s GLN 15 Cb -0.08 -3.00 -0.05 0.00 0.80 0.00 0.00 33.01 30.68 1x4x s GLN 15 CO 0.56 -0.34 0.46 0.14 -0.50 0.00 0.00 175.29 175.61 1x4x s VAL 16 N 1.38 5.06 -0.41 1.34 -7.23 -1.26 -2.56 120.40 116.73 1x4x s VAL 16 Ca 0.02 0.94 0.01 0.00 -1.81 0.00 0.00 61.98 61.15 1x4x s VAL 16 Cb -0.16 -3.79 0.13 0.00 0.56 0.00 0.00 36.38 33.12 1x4x s VAL 16 CO -0.04 0.46 0.21 -0.89 -0.31 0.00 0.00 175.10 174.52 1x4x s THR 17 N -0.27 1.20 -0.87 5.32 2.01 -0.10 -4.96 115.64 117.96 1x4x s THR 17 Ca 0.25 -2.26 -0.20 0.00 0.31 0.00 0.00 61.69 59.80 1x4x s THR 17 Cb -0.16 -1.85 -0.22 0.00 0.01 0.00 0.00 72.50 70.27 1x4x s THR 17 CO 0.13 -0.86 2.34 0.00 -0.69 0.00 0.00 174.62 175.53 1x4x h ARG 19 N 12.61 0.22 -2.51 0.00 2.47 -1.81 -3.47 114.38 121.89 1x4x h ARG 19 Ca -0.01 -0.07 0.15 0.00 -1.26 0.00 0.00 59.98 58.79 1x4x h ARG 19 Cb 1.11 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 29.36 1x4x h ARG 19 CO 1.31 0.46 0.51 -1.12 0.56 0.00 0.00 179.97 181.69 1x4x s SER 20 N -6.88 -0.06 0.41 7.04 0.01 -1.04 -4.91 113.70 108.26 1x4x s SER 20 Ca -0.05 -0.63 0.16 0.00 1.31 0.00 0.00 55.95 56.74 1x4x s SER 20 Cb 0.15 0.54 1.03 0.00 0.21 0.00 0.00 66.02 67.95 1x4x s SER 20 CO 0.75 -1.04 1.85 0.00 0.41 0.00 0.00 173.24 175.21 1x4x h ALA 21 N 2.00 2.13 0.00 1.44 0.00 -1.91 -1.09 119.26 121.83 1x4x h ALA 21 Ca -0.27 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1x4x h ALA 21 Cb 1.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1x4x h ALA 21 CO 0.33 -0.42 -0.43 0.25 0.00 0.00 0.00 179.25 178.98 1x4x n THR 22 N -4.53 2.09 -4.08 0.00 -2.24 -1.26 -3.14 114.28 101.11 1x4x n THR 22 Ca 0.19 -3.00 -0.14 0.00 -2.27 0.00 0.00 64.05 58.83 1x4x n THR 22 Cb 0.66 -0.20 -0.13 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.58 -1.61 0.00 0.00 0.00 -0.44 -2.31 121.76 116.83 1x4x s ALA 24 Ca -0.03 1.99 -0.01 0.00 0.00 0.00 0.00 51.96 53.91 1x4x s ALA 24 Cb -0.05 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1x4x s ALA 24 CO -0.00 -0.70 0.15 -1.14 0.00 0.00 0.00 175.76 174.07 1x4x s GLN 25 N 2.40 3.31 0.12 0.00 -0.44 -1.09 0.01 119.66 123.98 1x4x s GLN 25 Ca -0.06 -0.40 0.06 0.00 -2.50 0.00 0.00 55.36 52.47 1x4x s GLN 25 Cb -0.10 -3.01 -0.04 0.00 -1.64 0.00 0.00 33.01 28.22 1x4x s GLN 25 CO -0.16 0.66 -0.15 0.08 0.50 0.00 0.00 175.29 176.21 1x4x s VAL 26 N -1.31 1.43 -0.16 1.34 1.01 -0.01 -0.92 120.40 121.77 1x4x s VAL 26 Ca 0.27 -1.69 -0.10 0.00 0.00 0.00 0.00 61.98 60.46 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 0.19 -0.35 0.40 0.20 0.00 0.00 0.00 175.10 175.53 1x4x s ASN 27 N -2.37 -0.48 0.36 3.32 0.01 -1.06 -2.26 114.94 112.47 1x4x s ASN 27 Ca 0.09 0.85 0.04 0.00 -0.71 0.00 0.00 52.86 53.12 1x4x s ASN 27 Cb -0.06 0.75 -0.01 0.00 0.41 0.00 0.00 41.25 42.34 1x4x s ASN 27 CO 0.04 -0.18 0.14 -2.67 -1.51 0.00 0.00 177.10 172.91 1x4x n TRP 28 N 3.96 0.09 -4.04 2.20 2.14 -0.75 -0.33 117.44 120.72 1x4x n TRP 28 Ca -0.21 -2.35 -0.10 0.00 2.07 0.00 0.00 57.50 56.90 1x4x n TRP 28 Cb 0.55 0.01 -0.06 0.00 -0.81 0.00 0.00 31.31 31.00 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 -3.38 1.58 -0.07 -2.67 0.41 -1.26 -4.77 118.70 108.53 1x4x s GLU 29 Ca 0.19 -1.40 -0.15 0.00 -0.41 0.00 0.00 54.97 53.20 1x4x s GLU 29 Cb 0.01 0.44 -0.05 0.00 -1.78 0.00 0.00 34.13 32.75 1x4x s GLU 29 CO 0.14 -0.64 0.40 0.08 -0.49 0.00 0.00 175.26 174.74 1x4x s VAL 30 N -3.82 5.15 1.19 2.63 1.01 -1.26 -4.80 120.40 120.50 1x4x s VAL 30 Ca 0.26 0.80 -0.19 0.00 0.00 0.00 0.00 61.98 62.85 1x4x s VAL 30 Cb 0.00 -3.72 0.28 0.00 0.00 0.00 0.00 36.38 32.95 1x4x s VAL 30 CO 0.12 0.46 1.11 -2.16 0.00 0.00 0.00 175.10 174.63 1x4x s PRO 31 N -0.24 -1.12 -1.08 2.72 0.04 -1.26 -4.84 135.00 129.21 1x4x s PRO 31 Ca 0.23 -0.04 -0.23 0.00 0.04 0.00 0.00 61.00 61.00 1x4x s PRO 31 Cb -0.15 -1.61 -0.11 0.00 0.04 0.00 0.00 34.50 32.67 1x4x s PRO 31 CO 0.10 -3.65 1.93 -0.11 0.04 0.00 0.00 177.00 175.31 1x4x n LEU 32 N -4.72 3.23 -4.27 -3.56 0.00 -1.26 -4.88 117.00 101.54 1x4x n LEU 32 Ca 0.13 -3.09 -0.37 0.00 0.00 0.00 0.00 56.01 52.67 1x4x n LEU 32 Cb 0.59 -1.60 -0.13 0.00 0.00 0.00 0.00 43.42 42.29 1x4x n LEU 32 CO 0.46 -1.56 -0.27 -0.44 0.00 0.00 0.00 177.39 175.58 1x4x s SER 33 N 6.20 5.26 -0.26 1.96 0.01 -1.26 -4.58 113.70 121.02 1x4x s SER 33 Ca 0.66 -1.11 -0.15 0.00 1.31 0.00 0.00 55.95 56.67 1x4x s SER 33 Cb 0.03 -1.86 -0.12 0.00 0.21 0.00 0.00 66.02 64.28 1x4x s SER 33 CO 0.14 -0.31 -0.32 -0.46 0.41 0.00 0.00 173.24 172.70 1x4x n ASN 34 N 4.80 1.95 0.00 2.44 0.23 -1.26 -4.85 115.26 118.56 1x4x n ASN 34 Ca -0.13 0.35 0.00 0.00 -0.53 0.00 0.00 54.58 54.27 1x4x n ASN 34 Cb 0.45 -0.82 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 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 1.29 -2.22 3.78 4.83 0.00 -1.26 -4.77 105.19 106.83 1x4x n GLY 35 Ca -0.49 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 4.27 0.24 2.61 -1.32 -1.26 -5.07 115.64 115.11 1x4x s THR 36 Ca 0.00 1.78 0.00 0.00 -1.21 0.00 0.00 61.69 62.26 1x4x s THR 36 Cb 0.00 -4.11 -0.04 0.00 -1.51 0.00 0.00 72.50 66.85 1x4x s THR 36 CO 0.00 0.35 0.42 -1.81 -2.21 0.00 0.00 174.62 171.37 1x4x s ASP 37 N -1.38 6.36 0.17 8.08 1.11 -1.26 -4.86 116.67 124.88 1x4x s ASP 37 Ca 0.43 0.36 -0.30 0.00 0.18 0.00 0.00 52.55 53.22 1x4x s ASP 37 Cb -0.21 -1.99 -0.07 0.00 1.07 0.00 0.00 42.92 41.71 1x4x s ASP 37 CO 0.26 -0.10 1.08 -0.69 1.18 0.00 0.00 175.17 176.91 1x4x s VAL 38 N -1.98 3.94 -0.18 -1.27 1.01 -1.26 -4.47 120.40 116.19 1x4x s VAL 38 Ca 0.38 1.67 -0.23 0.00 0.00 0.00 0.00 61.98 63.80 1x4x s VAL 38 Cb -0.10 -4.06 -0.20 0.00 0.00 0.00 0.00 36.38 32.01 1x4x s VAL 38 CO 0.30 0.28 0.37 0.71 0.00 0.00 0.00 175.10 176.77 1x4x h THR 39 N 3.77 1.13 -3.27 3.92 1.35 -1.22 -3.49 112.91 115.10 1x4x h THR 39 Ca -0.44 -2.13 -0.18 0.00 -0.55 0.00 0.00 66.41 63.10 1x4x h THR 39 Cb 1.21 2.42 -0.04 0.00 -1.73 0.00 0.00 68.15 70.01 1x4x h THR 39 CO 0.72 0.38 -0.11 -1.84 -0.25 0.00 0.00 175.52 174.43 1x4x n GLU 40 N -4.51 0.40 -3.71 4.72 0.28 -1.25 -4.61 120.64 111.96 1x4x n GLU 40 Ca -0.22 -1.71 -0.21 0.00 -0.16 0.00 0.00 57.16 54.86 1x4x n GLU 40 Cb 0.57 1.61 -0.18 0.00 1.43 0.00 0.00 31.44 34.87 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 -3.63 0.27 -0.42 -1.84 1.51 -0.84 -3.05 117.35 109.34 1x4x s TYR 41 Ca 0.18 0.11 -0.14 0.00 -1.01 0.00 0.00 57.07 56.22 1x4x s TYR 41 Cb -0.00 -0.59 0.04 0.00 -0.11 0.00 0.00 41.96 41.30 1x4x s TYR 41 CO 0.13 -0.24 0.31 1.03 -1.11 0.00 0.00 175.55 175.67 1x4x s ARG 42 N 2.09 2.90 -0.21 -0.62 0.52 -1.19 -2.56 118.95 119.89 1x4x s ARG 42 Ca 0.05 -1.18 -0.10 0.00 -0.52 0.00 0.00 55.73 53.98 1x4x s ARG 42 Cb -0.12 -3.96 -0.05 0.00 0.52 0.00 0.00 34.95 31.34 1x4x s ARG 42 CO -0.04 -0.85 0.12 -1.17 0.02 0.00 0.00 175.30 173.39 1x4x s LEU 43 N 1.62 4.10 -0.09 2.53 2.96 -0.77 -3.02 118.68 126.01 1x4x s LEU 43 Ca 0.04 0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.11 1x4x s LEU 43 Cb -0.21 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1x4x s LEU 43 CO 0.08 0.15 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.57 1x4x s GLU 44 N 0.55 3.01 -0.10 1.98 2.02 -0.69 -1.46 118.70 124.01 1x4x s GLU 44 Ca 0.07 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 1x4x s GLU 44 Cb -0.12 -2.66 0.05 0.00 0.10 0.00 0.00 34.13 31.50 1x4x s GLU 44 CO 0.00 0.53 0.22 -0.46 0.02 0.00 0.00 175.26 175.57 1x4x s TRP 45 N -0.44 -0.31 0.16 1.61 -0.11 -0.98 -2.02 118.94 116.84 1x4x s TRP 45 Ca 0.07 0.78 -0.06 0.00 1.22 0.00 0.00 56.10 58.10 1x4x s TRP 45 Cb -0.12 -0.06 -0.02 0.00 -1.50 0.00 0.00 33.47 31.77 1x4x s TRP 45 CO 0.02 -0.28 0.22 0.20 -4.62 0.00 0.00 176.95 172.49 1x4x s GLY 46 N 1.87 0.71 0.08 5.86 0.00 -1.19 -4.29 107.32 110.34 1x4x s GLY 46 Ca -0.03 -1.12 -0.20 0.00 0.00 0.00 0.00 44.72 43.37 1x4x s GLY 46 CO -0.08 -1.02 1.33 -1.33 0.00 0.00 0.00 173.10 172.01 1x4x h GLY 47 N 2.62 -1.35 -2.42 0.20 0.00 -1.86 -3.16 103.07 97.10 1x4x h GLY 47 Ca -0.33 0.74 -0.57 0.00 0.00 0.00 0.00 47.33 47.17 1x4x h GLY 47 CO 0.51 -0.36 -0.67 0.54 0.00 0.00 0.00 176.54 176.56 1x4x s VAL 48 N -4.62 3.11 0.25 4.60 0.11 -1.25 -3.57 120.40 119.03 1x4x s VAL 48 Ca -0.09 -2.05 -0.04 0.00 -2.93 0.00 0.00 61.98 56.88 1x4x s VAL 48 Cb 0.05 -2.70 0.22 0.00 -1.53 0.00 0.00 36.38 32.42 1x4x s VAL 48 CO 0.37 -0.36 1.75 -0.08 -3.33 0.00 0.00 175.10 173.45 1x4x h GLU 49 N 1.97 0.52 -0.59 1.54 4.81 -1.92 -0.03 114.58 120.88 1x4x h GLU 49 Ca -0.43 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1x4x h GLU 49 Cb 1.25 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1x4x h GLU 49 CO 0.61 0.34 0.39 0.78 -0.73 0.00 0.00 179.01 180.40 1x4x h GLY 50 N 0.54 0.76 -7.40 1.92 0.00 -1.97 -3.38 103.07 93.54 1x4x h GLY 50 Ca 0.42 -0.26 -0.68 0.00 0.00 0.00 0.00 47.33 46.81 1x4x h GLY 50 CO -0.36 0.22 -0.63 -0.45 0.00 0.00 0.00 176.54 175.31 1x4x s SER 51 N -6.41 5.08 -0.13 0.19 0.15 -0.03 -5.07 113.70 107.49 1x4x s SER 51 Ca -0.09 -0.75 -0.25 0.00 0.70 0.00 0.00 55.95 55.56 1x4x s SER 51 Cb 0.18 -1.86 0.06 0.00 -1.71 0.00 0.00 66.02 62.69 1x4x s SER 51 CO 0.75 -0.20 0.61 -0.04 1.20 0.00 0.00 173.24 175.57 1x4x s MET 52 N 1.48 0.86 0.34 5.44 1.00 -1.26 -3.81 119.30 123.35 1x4x s MET 52 Ca 0.02 0.49 -0.03 0.00 0.00 0.00 0.00 55.69 56.16 1x4x s MET 52 Cb -0.17 0.41 0.00 0.00 0.00 0.00 0.00 34.83 35.07 1x4x s MET 52 CO 0.02 -0.20 0.49 -0.65 0.00 0.00 0.00 175.02 174.68 1x4x s GLN 53 N -0.50 1.91 -0.19 2.03 -0.21 -1.26 -4.96 119.66 116.48 1x4x s GLN 53 Ca -0.06 -1.73 -0.29 0.00 0.02 0.00 0.00 55.36 53.30 1x4x s GLN 53 Cb -0.03 0.45 -0.03 0.00 1.00 0.00 0.00 33.01 34.40 1x4x s GLN 53 CO 0.05 -0.80 1.63 0.42 -2.12 0.00 0.00 175.29 174.48 1x4x s ILE 54 N -3.05 3.67 -0.26 1.08 -1.09 -1.26 -2.33 121.20 117.95 1x4x s ILE 54 Ca 0.30 0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 59.44 1x4x s ILE 54 Cb -0.01 -3.64 -0.16 0.00 -1.58 0.00 0.00 42.46 37.07 1x4x s ILE 54 CO 0.20 -0.24 -0.23 0.00 -1.23 0.00 0.00 174.94 173.44 1x4x s TYR 56 N -2.51 -0.09 -0.03 0.00 6.14 -1.15 -5.06 117.35 114.65 1x4x s TYR 56 Ca -0.35 0.21 0.01 0.00 0.64 0.00 0.00 57.07 57.57 1x4x s TYR 56 Cb 0.11 0.02 0.02 0.00 0.42 0.00 0.00 41.96 42.54 1x4x s TYR 56 CO 0.57 -0.07 -0.01 0.00 0.64 0.00 0.00 175.55 176.68 1x4x n GLY 58 N 4.05 1.88 0.00 0.00 0.00 -1.06 -4.96 105.19 105.10 1x4x n GLY 58 Ca -0.26 -1.00 0.07 0.00 0.00 0.00 0.00 46.02 44.84 1x4x n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4x n PRO 59 N -0.78 0.29 -0.65 1.61 -0.04 -1.26 -1.98 135.00 132.18 1x4x n PRO 59 Ca 0.00 0.11 -0.31 0.00 -0.04 0.00 0.00 63.50 63.26 1x4x n PRO 59 Cb 0.00 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.14 1x4x n PRO 59 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x4x n GLY 60 N -0.04 -0.76 0.00 0.55 0.00 -1.26 -4.90 105.19 98.79 1x4x n GLY 60 Ca 0.08 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.14 0.00 -4.18 0.99 4.77 -1.26 -4.82 117.00 108.36 1x4x n LEU 61 Ca 0.10 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.81 1x4x n LEU 61 Cb 0.52 0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.46 1x4x n LEU 61 CO 0.50 0.01 -0.52 -0.94 -1.33 0.00 0.00 177.39 175.11 1x4x s SER 62 N -2.52 2.40 -0.07 -1.43 1.04 -1.26 -1.81 113.70 110.05 1x4x s SER 62 Ca -0.01 -0.39 -0.06 0.00 0.48 0.00 0.00 55.95 55.97 1x4x s SER 62 Cb 0.02 -0.58 0.02 0.00 0.10 0.00 0.00 66.02 65.58 1x4x s SER 62 CO 0.14 0.19 0.18 -0.47 0.98 0.00 0.00 173.24 174.26 1x4x s TYR 63 N -0.12 -0.20 -0.14 5.02 5.04 -0.96 -5.04 117.35 120.96 1x4x s TYR 63 Ca -0.01 0.49 -0.03 0.00 -2.44 0.00 0.00 57.07 55.08 1x4x s TYR 63 Cb -0.11 0.06 -0.03 0.00 0.35 0.00 0.00 41.96 42.23 1x4x s TYR 63 CO 0.02 -0.10 -0.04 -2.00 -1.34 0.00 0.00 175.55 172.08 1x4x s GLU 64 N 0.15 3.48 -0.02 4.97 2.12 -1.26 -0.83 118.70 127.31 1x4x s GLU 64 Ca -0.00 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.80 1x4x s GLU 64 Cb -0.02 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1x4x s GLU 64 CO -0.00 0.33 0.03 0.42 -0.54 0.00 0.00 175.26 175.50 1x4x s ILE 65 N 0.10 4.39 0.25 -3.70 1.01 0.10 -4.99 121.20 118.37 1x4x s ILE 65 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1x4x s ILE 65 Cb -0.14 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 1x4x s ILE 65 CO 0.03 0.42 0.23 -0.54 0.00 0.00 0.00 174.94 175.08 1x4x s LYS 66 N -1.46 1.44 -0.29 2.79 1.02 -1.26 -1.33 119.74 120.66 1x4x s LYS 66 Ca 0.19 -1.71 -0.01 0.00 0.02 0.00 0.00 55.97 54.45 1x4x s LYS 66 Cb -0.12 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 1x4x s LYS 66 CO 0.10 -0.52 0.17 0.41 -0.92 0.00 0.00 175.35 174.59 1x4x n GLY 67 N -0.40 0.55 3.02 -3.33 0.00 -0.95 -4.99 105.19 99.08 1x4x n GLY 67 Ca 0.03 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.18 0.00 -4.29 0.99 4.77 -1.01 -5.06 117.00 111.22 1x4x n LEU 68 Ca -0.01 -1.96 -0.27 0.00 -0.03 0.00 0.00 56.01 53.74 1x4x n LEU 68 Cb 0.52 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 41.16 1x4x n LEU 68 CO 0.11 -0.65 -0.54 -0.44 -1.33 0.00 0.00 177.39 174.54 1x4x s SER 69 N -3.76 2.76 0.75 -1.43 0.01 -1.26 -4.46 113.70 106.31 1x4x s SER 69 Ca 0.45 -0.56 -0.12 0.00 1.31 0.00 0.00 55.95 57.04 1x4x s SER 69 Cb -0.04 -0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.00 1x4x s SER 69 CO 0.29 0.19 1.10 -2.16 0.41 0.00 0.00 173.24 173.07 1x4x s PRO 70 N -1.26 2.38 -1.48 12.44 0.04 -1.19 -3.76 135.00 142.18 1x4x s PRO 70 Ca 0.09 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.32 1x4x s PRO 70 Cb -0.09 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.56 1x4x s PRO 70 CO 0.02 -1.55 0.37 0.00 0.04 0.00 0.00 177.00 175.88 1x4x n ALA 71 N -3.27 -1.91 -3.74 8.56 0.00 -0.48 -4.89 120.51 114.77 1x4x n ALA 71 Ca 0.09 -0.27 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 1x4x n ALA 71 Cb 0.53 -1.57 -0.16 0.00 0.00 0.00 0.00 19.45 18.25 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 -3.97 0.06 0.44 0.00 2.01 -1.25 -4.94 115.64 107.99 1x4x s THR 72 Ca 0.10 0.16 -0.23 0.00 0.31 0.00 0.00 61.69 62.03 1x4x s THR 72 Cb -0.05 -0.18 -0.09 0.00 0.01 0.00 0.00 72.50 72.19 1x4x s THR 72 CO 0.92 0.12 1.06 -0.89 -0.69 0.00 0.00 174.62 175.14 1x4x s THR 73 N 1.07 3.65 0.10 -0.82 2.01 -1.26 -2.48 115.64 117.90 1x4x s THR 73 Ca -0.09 1.18 -0.07 0.00 0.31 0.00 0.00 61.69 63.02 1x4x s THR 73 Cb -0.13 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1x4x s THR 73 CO -0.02 -0.08 0.16 -0.31 -0.69 0.00 0.00 174.62 173.68 1x4x s TYR 74 N -1.75 0.32 0.04 4.92 2.02 0.15 -4.49 117.35 118.56 1x4x s TYR 74 Ca 0.62 -0.75 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 1x4x s TYR 74 Cb -0.21 -0.15 -0.03 0.00 -0.40 0.00 0.00 41.96 41.17 1x4x s TYR 74 CO 0.26 -0.55 -0.05 0.71 -1.57 0.00 0.00 175.55 174.36 1x4x s TYR 75 N -3.91 0.49 -0.10 2.71 1.51 -1.19 -1.33 117.35 115.52 1x4x s TYR 75 Ca 0.09 -0.68 -0.09 0.00 -1.01 0.00 0.00 57.07 55.38 1x4x s TYR 75 Cb 0.05 -0.32 0.03 0.00 -0.11 0.00 0.00 41.96 41.61 1x4x s TYR 75 CO -0.08 -0.20 0.27 0.00 -1.11 0.00 0.00 175.55 174.44 1x4x s ARG 77 N 0.25 0.33 -0.10 0.00 1.70 -0.86 -2.83 118.95 117.44 1x4x s ARG 77 Ca -0.01 0.07 0.01 0.00 -0.47 0.00 0.00 55.73 55.33 1x4x s ARG 77 Cb -0.03 -0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 33.82 1x4x s ARG 77 CO -0.01 -0.13 -0.12 0.54 -1.08 0.00 0.00 175.30 174.50 1x4x s VAL 78 N 1.03 3.16 0.11 4.99 0.11 -1.26 -1.70 120.40 126.84 1x4x s VAL 78 Ca -0.10 -0.65 0.08 0.00 -2.93 0.00 0.00 61.98 58.39 1x4x s VAL 78 Cb -0.14 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 1x4x s VAL 78 CO -0.02 0.55 -0.21 0.00 -3.33 0.00 0.00 175.10 172.10 1x4x s GLN 79 N -0.06 1.13 -0.24 1.54 -2.07 -1.17 -2.74 119.66 116.05 1x4x s GLN 79 Ca -0.02 -1.18 -0.09 0.00 -1.82 0.00 0.00 55.36 52.25 1x4x s GLN 79 Cb -0.14 -1.38 -0.04 0.00 -1.09 0.00 0.00 33.01 30.36 1x4x s GLN 79 CO 0.04 0.32 0.12 0.00 -1.32 0.00 0.00 175.29 174.44 1x4x s ALA 80 N -1.23 3.41 -0.17 2.60 0.00 -1.26 -3.18 121.76 121.92 1x4x s ALA 80 Ca 0.07 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 50.92 1x4x s ALA 80 Cb -0.10 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 1x4x s ALA 80 CO 0.04 -0.32 0.22 -0.51 0.00 0.00 0.00 175.76 175.19 1x4x s LEU 81 N 1.31 4.25 0.00 0.00 1.02 -1.17 -1.46 118.68 122.62 1x4x s LEU 81 Ca 0.06 0.41 0.01 0.00 0.02 0.00 0.00 54.13 54.63 1x4x s LEU 81 Cb -0.15 -2.24 0.01 0.00 0.02 0.00 0.00 46.19 43.84 1x4x s LEU 81 CO 0.05 0.16 0.12 -1.54 0.02 0.00 0.00 176.35 175.17 1x4x n SER 82 N 3.37 2.26 -0.06 2.29 3.41 -1.22 -0.67 113.62 122.99 1x4x n SER 82 Ca -0.14 -2.05 0.12 0.00 -0.26 0.00 0.00 58.87 56.54 1x4x n SER 82 Cb 0.52 0.07 0.25 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.94 0.00 0.23 -3.33 0.24 -1.26 -3.87 118.33 109.39 1x4x n VAL 83 Ca -0.05 -0.03 0.08 0.00 -2.04 0.00 0.00 64.34 62.29 1x4x n VAL 83 Cb 0.33 0.34 -0.11 0.00 -1.47 0.00 0.00 33.84 32.92 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 -1.29 0.00 0.00 3.34 3.14 -1.26 -5.06 118.33 117.19 1x4x n VAL 84 Ca 0.07 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 1x4x n VAL 84 Cb 0.34 0.41 0.00 0.00 -1.06 0.00 0.00 33.84 33.53 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 1.52 3.98 3.73 7.55 0.00 -1.25 -5.02 105.19 115.71 1x4x n GLY 85 Ca -0.01 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.64 3.67 0.92 4.61 0.00 -1.26 -3.46 121.76 124.61 1x4x s ALA 86 Ca 0.00 1.31 -0.13 0.00 0.00 0.00 0.00 51.96 53.13 1x4x s ALA 86 Cb 0.00 -3.57 0.19 0.00 0.00 0.00 0.00 23.12 19.74 1x4x s ALA 86 CO 0.00 -0.73 1.27 0.20 0.00 0.00 0.00 175.76 176.50 1x4x s GLY 87 N 0.74 1.78 0.88 0.00 0.00 -0.54 -4.95 107.32 105.24 1x4x s GLY 87 Ca 0.64 -1.33 -0.11 0.00 0.00 0.00 0.00 44.72 43.91 1x4x s GLY 87 CO 0.37 -0.58 1.09 2.56 0.00 0.00 0.00 173.10 176.54 1x4x s PRO 88 N -5.77 1.35 0.59 2.90 0.04 -1.26 -4.63 135.00 128.22 1x4x s PRO 88 Ca 0.73 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.58 1x4x s PRO 88 Cb -0.04 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1x4x s PRO 88 CO 0.52 -2.18 0.87 -0.06 0.04 0.00 0.00 177.00 176.18 1x4x s PHE 89 N -2.93 3.13 0.50 0.56 0.08 -1.26 -4.35 117.98 113.71 1x4x s PHE 89 Ca 0.63 0.46 -0.01 0.00 0.12 0.00 0.00 56.93 58.13 1x4x s PHE 89 Cb -0.18 -2.76 0.01 0.00 -0.57 0.00 0.00 43.02 39.52 1x4x s PHE 89 CO 0.57 -0.87 0.74 -1.54 -0.10 0.00 0.00 175.22 174.02 1x4x s SER 90 N -4.35 5.66 -0.16 1.36 1.04 -1.11 -4.58 113.70 111.56 1x4x s SER 90 Ca 0.55 0.32 -0.31 0.00 0.48 0.00 0.00 55.95 56.98 1x4x s SER 90 Cb -0.10 -1.43 -0.09 0.00 0.10 0.00 0.00 66.02 64.50 1x4x s SER 90 CO 0.43 -0.88 2.09 -0.62 0.98 0.00 0.00 173.24 175.24 1x4x n GLU 91 N -2.25 2.05 -1.55 4.02 1.02 -1.26 -4.76 120.64 117.91 1x4x n GLU 91 Ca 0.03 0.66 -0.56 0.00 -0.02 0.00 0.00 57.16 57.27 1x4x n GLU 91 Cb 0.58 -2.92 -0.08 0.00 -0.02 0.00 0.00 31.44 29.00 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 6.59 0.21 -3.11 2.62 0.31 -1.26 -4.67 118.33 119.02 1x4x n VAL 92 Ca 0.28 -0.11 -0.43 0.00 -0.01 0.00 0.00 64.34 64.07 1x4x n VAL 92 Cb 0.37 -1.22 -0.07 0.00 -0.91 0.00 0.00 33.84 32.01 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 5.17 4.82 0.30 2.52 1.01 -1.13 -4.94 120.40 128.14 1x4x s VAL 93 Ca 1.06 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.78 1x4x s VAL 93 Cb -1.08 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 30.96 1x4x s VAL 93 CO 0.61 -0.68 0.80 0.00 0.00 0.00 0.00 175.10 175.83 1x4x s ALA 94 N 2.82 3.29 -0.16 5.51 0.00 -1.26 -3.17 121.76 128.79 1x4x s ALA 94 Ca 0.21 0.23 -0.24 0.00 0.00 0.00 0.00 51.96 52.16 1x4x s ALA 94 Cb -0.15 -2.93 0.06 0.00 0.00 0.00 0.00 23.12 20.10 1x4x s ALA 94 CO 0.17 0.27 0.62 0.00 0.00 0.00 0.00 175.76 176.82 1x4x s VAL 96 N -0.29 1.79 0.51 0.00 1.01 -1.26 0.34 120.40 122.50 1x4x s VAL 96 Ca -0.05 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 60.90 1x4x s VAL 96 Cb -0.03 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 1x4x s VAL 96 CO 0.04 0.50 1.10 0.42 0.00 0.00 0.00 175.10 177.16 1x4x s THR 97 N 0.78 3.41 0.54 3.92 -4.23 -1.04 -4.90 115.64 114.12 1x4x s THR 97 Ca -0.10 0.90 -0.19 0.00 -1.18 0.00 0.00 61.69 61.12 1x4x s THR 97 Cb -0.16 -3.38 -0.06 0.00 1.34 0.00 0.00 72.50 70.25 1x4x s THR 97 CO 0.01 -0.16 1.13 -2.16 -0.54 0.00 0.00 174.62 172.89 1x4x s PRO 98 N -3.17 3.35 0.20 3.99 0.04 -1.26 -1.39 135.00 136.77 1x4x s PRO 98 Ca 0.69 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 1x4x s PRO 98 Cb -0.22 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 1x4x s PRO 98 CO 0.25 -0.85 1.30 -1.25 0.04 0.00 0.00 177.00 176.49 1x4x s PRO 99 N -3.29 4.39 -1.10 0.56 0.04 -1.26 -2.88 135.00 131.46 1x4x s PRO 99 Ca 0.73 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.77 1x4x s PRO 99 Cb -0.24 -3.19 0.29 0.00 0.04 0.00 0.00 34.50 31.40 1x4x s PRO 99 CO 0.27 -0.24 1.51 0.45 0.04 0.00 0.00 177.00 179.03 1x4x n SER 100 N 2.57 6.25 -4.43 6.66 2.88 -1.26 -4.93 113.62 121.36 1x4x n SER 100 Ca 0.06 -3.36 -0.44 0.00 -1.33 0.00 0.00 58.87 53.79 1x4x n SER 100 Cb 0.43 -1.30 -0.01 0.00 -0.75 0.00 0.00 64.21 62.58 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 -1.35 6.91 0.00 -3.46 0.15 -1.26 -4.90 113.70 109.79 1x4x s SER 101 Ca 0.32 -2.71 0.00 0.00 0.70 0.00 0.00 55.95 54.26 1x4x s SER 101 Cb 0.05 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1x4x s SER 101 CO 0.09 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1x4x n GLY 102 N 4.38 0.54 3.57 9.45 0.00 -1.26 -5.08 105.19 116.79 1x4x n GLY 102 Ca 0.28 -2.20 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.22 -1.67 -0.05 1.61 0.04 -1.26 -5.10 135.00 128.36 1x4x s PRO 103 Ca 0.00 -0.22 -0.25 0.00 0.04 0.00 0.00 61.00 60.57 1x4x s PRO 103 Cb 0.00 -1.56 0.05 0.00 0.04 0.00 0.00 34.50 33.04 1x4x s PRO 103 CO 0.00 -3.98 0.55 0.45 0.04 0.00 0.00 177.00 174.06 1x4x s SER 104 N -4.01 -0.50 -0.15 6.66 0.15 -1.26 -5.07 113.70 109.51 1x4x s SER 104 Ca 0.72 0.55 -0.07 0.00 0.70 0.00 0.00 55.95 57.85 1x4x s SER 104 Cb -0.07 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 1x4x s SER 104 CO 0.56 -0.52 0.09 -0.94 1.20 0.00 0.00 173.24 173.62 1x4x s SER 105 N -1.12 5.93 0.00 5.45 1.04 -1.26 -5.25 113.70 118.49 1x4x s SER 105 Ca -0.11 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1x4x s SER 105 Cb -0.02 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.15 1x4x s SER 105 CO 0.07 0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.18