#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 -0.41 0.22 1.61 0.01 -1.26 -5.18 113.70 108.69 1x4x s SER 2 Ca 0.00 0.12 0.11 0.00 1.31 0.00 0.00 55.95 57.49 1x4x s SER 2 Cb 0.00 0.41 -0.05 0.00 0.21 0.00 0.00 66.02 66.59 1x4x s SER 2 CO 0.00 -0.61 -0.19 -0.44 0.41 0.00 0.00 173.24 172.41 1x4x s SER 3 N -2.18 3.70 -0.76 2.44 0.01 -1.26 -5.08 113.70 110.58 1x4x s SER 3 Ca 0.02 -0.85 0.03 0.00 1.31 0.00 0.00 55.95 56.46 1x4x s SER 3 Cb -0.01 -0.39 0.30 0.00 0.21 0.00 0.00 66.02 66.13 1x4x s SER 3 CO -0.06 0.09 1.11 0.61 0.41 0.00 0.00 173.24 175.39 1x4x n GLY 4 N -0.12 5.34 3.09 3.44 0.00 -1.26 -5.02 105.19 110.65 1x4x n GLY 4 Ca -0.10 -2.73 -0.11 0.00 0.00 0.00 0.00 46.02 43.08 1x4x n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4x s SER 5 N -2.51 0.84 -0.03 1.61 1.04 -1.26 -5.16 113.70 108.24 1x4x s SER 5 Ca 0.41 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 56.15 1x4x s SER 5 Cb 0.18 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 1x4x s SER 5 CO -0.05 -0.32 -0.07 -0.44 0.98 0.00 0.00 173.24 173.34 1x4x s SER 6 N -2.10 4.64 0.00 7.02 0.01 -1.26 -5.10 113.70 116.90 1x4x s SER 6 Ca -0.03 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1x4x s SER 6 Cb -0.04 -1.12 0.00 0.00 0.21 0.00 0.00 66.02 65.07 1x4x s SER 6 CO -0.02 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1x4x n GLY 7 N 1.85 1.67 3.13 3.44 0.00 -1.26 -4.43 105.19 109.60 1x4x n GLY 7 Ca -0.16 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.40 -2.93 -2.46 1.61 -0.04 -1.26 -5.04 135.00 124.48 1x4x n PRO 8 Ca 0.00 -1.56 -0.29 0.00 -0.04 0.00 0.00 63.50 61.61 1x4x n PRO 8 Cb 0.00 -1.47 -0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1x4x n PRO 8 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x4x s ASP 9 N -4.14 6.28 0.88 3.54 -1.08 -1.26 -4.89 116.67 116.00 1x4x s ASP 9 Ca 0.64 1.08 -0.15 0.00 -0.52 0.00 0.00 52.55 53.59 1x4x s ASP 9 Cb -0.06 -2.31 -0.07 0.00 -1.46 0.00 0.00 42.92 39.02 1x4x s ASP 9 CO 0.49 -0.64 -0.07 1.67 0.52 0.00 0.00 175.17 177.14 1x4x n GLN 10 N -2.29 -0.04 -3.88 4.34 7.27 -1.26 -4.87 117.38 116.65 1x4x n GLN 10 Ca 0.02 0.01 -0.36 0.00 0.07 0.00 0.00 57.00 56.75 1x4x n GLN 10 Cb 0.55 -1.45 -0.08 0.00 2.41 0.00 0.00 30.24 31.67 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 -0.24 3.34 0.12 0.00 -0.14 -1.26 -3.85 119.74 117.70 1x4x s LYS 12 Ca 0.10 1.34 -0.31 0.00 -1.36 0.00 0.00 55.97 55.74 1x4x s LYS 12 Cb -0.12 -2.03 -0.08 0.00 -1.68 0.00 0.00 37.83 33.93 1x4x s LYS 12 CO 0.01 -0.81 1.36 -1.25 -0.76 0.00 0.00 175.35 173.90 1x4x s PRO 13 N -3.77 4.34 0.78 -1.68 0.04 -1.26 -4.76 135.00 128.68 1x4x s PRO 13 Ca 0.66 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.64 1x4x s PRO 13 Cb -0.18 -3.25 0.06 0.00 0.04 0.00 0.00 34.50 31.16 1x4x s PRO 13 CO 0.32 -0.40 1.09 -1.25 0.04 0.00 0.00 177.00 176.80 1x4x s PRO 14 N 1.01 2.22 -0.37 0.56 0.04 -1.26 -4.98 135.00 132.22 1x4x s PRO 14 Ca 0.63 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.71 1x4x s PRO 14 Cb -0.36 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1x4x s PRO 14 CO 0.31 -1.67 0.22 -1.14 0.04 0.00 0.00 177.00 174.76 1x4x s GLN 15 N -4.91 2.94 0.26 4.56 0.74 -0.20 -4.87 119.66 118.18 1x4x s GLN 15 Ca 0.61 -1.01 -0.27 0.00 0.05 0.00 0.00 55.36 54.75 1x4x s GLN 15 Cb -0.17 -3.76 -0.09 0.00 1.10 0.00 0.00 33.01 30.09 1x4x s GLN 15 CO 0.56 -0.66 0.89 0.14 -0.55 0.00 0.00 175.29 175.67 1x4x s VAL 16 N 1.59 4.22 -0.37 1.34 -7.23 -1.26 -3.09 120.40 115.59 1x4x s VAL 16 Ca 0.03 1.85 0.00 0.00 -1.81 0.00 0.00 61.98 62.05 1x4x s VAL 16 Cb -0.19 -4.13 0.13 0.00 0.56 0.00 0.00 36.38 32.75 1x4x s VAL 16 CO 0.07 0.34 0.19 -0.89 -0.31 0.00 0.00 175.10 174.50 1x4x s THR 17 N -1.38 0.87 -0.49 5.32 2.01 0.05 -4.96 115.64 117.05 1x4x s THR 17 Ca 0.44 -1.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.21 1x4x s THR 17 Cb -0.22 -1.63 -0.10 0.00 0.01 0.00 0.00 72.50 70.56 1x4x s THR 17 CO 0.27 -0.85 2.39 0.00 -0.69 0.00 0.00 174.62 175.74 1x4x h ARG 19 N 16.57 0.85 0.00 0.00 2.47 -1.84 -3.48 114.38 128.95 1x4x h ARG 19 Ca -0.25 -0.53 -0.02 0.00 -1.26 0.00 0.00 59.98 57.93 1x4x h ARG 19 Cb 1.28 0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.66 1x4x h ARG 19 CO 1.14 1.16 0.20 0.43 0.56 0.00 0.00 179.97 183.45 1x4x n SER 20 N -4.01 -1.62 -0.27 7.04 7.64 -1.19 -4.94 113.62 116.28 1x4x n SER 20 Ca -0.04 -2.12 0.05 0.00 1.01 0.00 0.00 58.87 57.77 1x4x n SER 20 Cb 0.62 2.70 0.19 0.00 -1.01 0.00 0.00 64.21 66.71 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 2.00 1.15 -0.51 -0.43 0.00 -1.93 -2.21 119.26 117.32 1x4x h ALA 21 Ca -0.24 0.08 -0.36 0.00 0.00 0.00 0.00 54.91 54.40 1x4x h ALA 21 Cb 0.87 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.40 1x4x h ALA 21 CO 0.30 -0.10 -0.48 0.25 0.00 0.00 0.00 179.25 179.22 1x4x n THR 22 N -4.89 2.54 -4.00 0.00 -2.24 -1.26 -3.58 114.28 100.85 1x4x n THR 22 Ca 0.15 -3.62 -0.10 0.00 -2.27 0.00 0.00 64.05 58.20 1x4x n THR 22 Cb 0.38 -0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.50 -1.50 -0.01 0.00 0.00 0.61 -2.80 121.76 116.55 1x4x s ALA 24 Ca -0.14 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1x4x s ALA 24 Cb -0.10 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1x4x s ALA 24 CO -0.01 -0.54 -0.03 -1.14 0.00 0.00 0.00 175.76 174.04 1x4x s GLN 25 N -2.50 0.40 0.01 0.00 0.74 -1.08 0.05 119.66 117.28 1x4x s GLN 25 Ca -0.05 -0.09 0.06 0.00 0.05 0.00 0.00 55.36 55.33 1x4x s GLN 25 Cb -0.01 -0.43 -0.03 0.00 1.10 0.00 0.00 33.01 33.64 1x4x s GLN 25 CO -0.02 0.01 -0.15 0.08 -0.55 0.00 0.00 175.29 174.66 1x4x s VAL 26 N 0.30 2.99 -0.01 1.34 1.01 -0.32 -0.77 120.40 124.94 1x4x s VAL 26 Ca -0.03 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1x4x s VAL 26 Cb -0.06 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1x4x s VAL 26 CO -0.00 0.40 0.04 0.20 0.00 0.00 0.00 175.10 175.74 1x4x s ASN 27 N -1.27 -0.03 0.31 3.32 0.01 -1.18 -2.28 114.94 113.81 1x4x s ASN 27 Ca 0.14 0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 1x4x s ASN 27 Cb -0.11 0.07 -0.00 0.00 0.41 0.00 0.00 41.25 41.62 1x4x s ASN 27 CO 0.05 -0.02 0.39 -2.67 -1.51 0.00 0.00 177.10 173.34 1x4x n TRP 28 N 3.10 -1.20 -4.12 2.20 2.14 -1.02 -1.03 117.44 117.51 1x4x n TRP 28 Ca -0.13 -2.19 -0.12 0.00 2.07 0.00 0.00 57.50 57.13 1x4x n TRP 28 Cb 0.59 0.44 -0.07 0.00 -0.81 0.00 0.00 31.31 31.46 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 -2.83 1.50 -0.11 -2.67 0.41 -1.26 -4.79 118.70 108.95 1x4x s GLU 29 Ca 0.28 -1.56 -0.10 0.00 -0.41 0.00 0.00 54.97 53.18 1x4x s GLU 29 Cb -0.00 0.38 -0.05 0.00 -1.78 0.00 0.00 34.13 32.68 1x4x s GLU 29 CO 0.20 -0.57 0.23 0.08 -0.49 0.00 0.00 175.26 174.71 1x4x s VAL 30 N -3.84 5.35 0.02 2.63 1.01 -1.26 -4.79 120.40 119.51 1x4x s VAL 30 Ca 0.32 0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.71 1x4x s VAL 30 Cb 0.03 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1x4x s VAL 30 CO 0.14 0.55 0.01 -0.81 0.00 0.00 0.00 175.10 174.99 1x4x n PRO 31 N 2.42 -1.06 -3.16 2.72 -0.04 -1.26 -4.94 135.00 129.67 1x4x n PRO 31 Ca -0.17 -0.02 -0.45 0.00 -0.04 0.00 0.00 63.50 62.82 1x4x n PRO 31 Cb 0.53 -0.02 -0.01 0.00 -0.04 0.00 0.00 33.50 33.96 1x4x n PRO 31 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1x4x s LEU 32 N 0.00 5.89 -0.37 1.53 0.20 -1.26 -5.00 118.68 119.67 1x4x s LEU 32 Ca 0.01 -2.91 -0.17 0.00 0.69 0.00 0.00 54.13 51.76 1x4x s LEU 32 Cb -0.00 -2.29 0.00 0.00 -0.43 0.00 0.00 46.19 43.47 1x4x s LEU 32 CO 0.01 -0.63 0.43 -0.94 -0.29 0.00 0.00 176.35 174.93 1x4x s SER 33 N 2.36 6.22 -0.55 3.68 1.04 -1.26 -4.71 113.70 120.48 1x4x s SER 33 Ca 0.31 -0.33 -0.16 0.00 0.48 0.00 0.00 55.95 56.24 1x4x s SER 33 Cb -0.07 -2.23 0.13 0.00 0.10 0.00 0.00 66.02 63.95 1x4x s SER 33 CO -0.07 -0.47 0.53 0.54 0.98 0.00 0.00 173.24 174.76 1x4x s ASN 34 N 1.77 6.20 0.00 7.02 2.20 -1.26 -4.54 114.94 126.33 1x4x s ASN 34 Ca 0.14 -1.76 0.00 0.00 -0.94 0.00 0.00 52.86 50.29 1x4x s ASN 34 Cb -0.16 -2.22 0.00 0.00 -2.00 0.00 0.00 41.25 36.87 1x4x s ASN 34 CO 0.13 -0.89 0.00 0.61 -2.94 0.00 0.00 177.10 174.01 1x4x n GLY 35 N 5.23 2.62 3.59 0.45 0.00 -1.26 -5.09 105.19 110.74 1x4x n GLY 35 Ca -0.13 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 3.41 0.16 2.61 -1.32 -1.26 -5.14 115.64 114.09 1x4x s THR 36 Ca 0.00 -1.37 0.05 0.00 -1.21 0.00 0.00 61.69 59.16 1x4x s THR 36 Cb 0.00 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 1x4x s THR 36 CO 0.00 0.03 0.11 1.51 -2.21 0.00 0.00 174.62 174.06 1x4x s ASP 37 N -2.47 5.40 -0.09 8.08 1.47 -1.26 -4.76 116.67 123.05 1x4x s ASP 37 Ca 0.23 -0.16 -0.29 0.00 1.18 0.00 0.00 52.55 53.51 1x4x s ASP 37 Cb -0.10 -1.38 -0.05 0.00 -0.34 0.00 0.00 42.92 41.05 1x4x s ASP 37 CO 0.15 0.08 1.71 -0.69 0.68 0.00 0.00 175.17 177.10 1x4x s VAL 38 N -1.71 3.52 0.03 2.11 1.01 -1.26 -4.76 120.40 119.34 1x4x s VAL 38 Ca 0.30 0.61 -0.26 0.00 0.00 0.00 0.00 61.98 62.63 1x4x s VAL 38 Cb -0.10 -3.44 -0.17 0.00 0.00 0.00 0.00 36.38 32.68 1x4x s VAL 38 CO 0.22 -0.10 1.34 0.71 0.00 0.00 0.00 175.10 177.27 1x4x h THR 39 N 5.78 0.63 -3.90 3.92 1.35 -1.20 -3.48 112.91 116.00 1x4x h THR 39 Ca -0.39 -0.44 -0.27 0.00 -0.55 0.00 0.00 66.41 64.76 1x4x h THR 39 Cb 1.18 0.84 -0.07 0.00 -1.73 0.00 0.00 68.15 68.38 1x4x h THR 39 CO 0.96 0.08 -0.16 -1.84 -0.25 0.00 0.00 175.52 174.31 1x4x n GLU 40 N -5.20 0.61 -3.71 4.72 0.28 -1.26 -4.51 120.64 111.58 1x4x n GLU 40 Ca -0.10 -2.59 -0.21 0.00 -0.16 0.00 0.00 57.16 54.10 1x4x n GLU 40 Cb 0.27 2.45 -0.18 0.00 1.43 0.00 0.00 31.44 35.42 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 -3.12 0.23 -0.36 -1.84 2.02 0.14 -2.62 117.35 111.80 1x4x s TYR 41 Ca 0.27 0.14 -0.11 0.00 -0.37 0.00 0.00 57.07 57.00 1x4x s TYR 41 Cb -0.01 -0.56 0.02 0.00 -0.40 0.00 0.00 41.96 41.02 1x4x s TYR 41 CO 0.20 -0.22 0.21 1.03 -1.57 0.00 0.00 175.55 175.19 1x4x s ARG 42 N 2.05 2.99 -0.26 -0.62 0.52 -1.26 -1.31 118.95 121.06 1x4x s ARG 42 Ca 0.04 -0.97 -0.12 0.00 -0.52 0.00 0.00 55.73 54.16 1x4x s ARG 42 Cb -0.12 -3.72 -0.05 0.00 0.52 0.00 0.00 34.95 31.58 1x4x s ARG 42 CO -0.04 -0.63 0.21 -1.17 0.02 0.00 0.00 175.30 173.70 1x4x s LEU 43 N 1.59 4.06 -0.31 2.53 2.96 -0.02 -3.91 118.68 125.58 1x4x s LEU 43 Ca 0.03 0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 53.92 1x4x s LEU 43 Cb -0.19 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 1x4x s LEU 43 CO 0.07 -0.03 0.18 -1.61 -1.32 0.00 0.00 176.35 173.64 1x4x s GLU 44 N 1.57 3.57 -0.02 1.98 2.02 -0.88 -0.22 118.70 126.72 1x4x s GLU 44 Ca 0.09 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.51 1x4x s GLU 44 Cb -0.15 -3.64 0.01 0.00 0.10 0.00 0.00 34.13 30.46 1x4x s GLU 44 CO 0.09 -0.34 -0.02 -0.46 0.02 0.00 0.00 175.26 174.54 1x4x s TRP 45 N 1.68 0.39 0.00 1.61 -0.11 0.51 -2.30 118.94 120.74 1x4x s TRP 45 Ca 0.06 -0.06 0.00 0.00 1.22 0.00 0.00 56.10 57.32 1x4x s TRP 45 Cb -0.17 -0.37 0.00 0.00 -1.50 0.00 0.00 33.47 31.43 1x4x s TRP 45 CO 0.08 -0.09 0.00 0.41 -4.62 0.00 0.00 176.95 172.74 1x4x n GLY 46 N 3.65 -0.67 0.00 5.86 0.00 -1.23 -4.07 105.19 108.73 1x4x n GLY 46 Ca -0.21 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1x4x n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4x n GLY 47 N 0.65 0.92 3.16 -0.02 0.00 -1.26 -4.87 105.19 103.77 1x4x n GLY 47 Ca 0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 2.26 0.57 1.61 1.01 -1.24 -3.37 120.40 121.23 1x4x s VAL 48 Ca 0.00 -0.88 0.39 0.00 0.00 0.00 0.00 61.98 61.48 1x4x s VAL 48 Cb 0.00 -1.95 0.57 0.00 0.00 0.00 0.00 36.38 34.99 1x4x s VAL 48 CO 0.00 0.53 1.64 1.05 0.00 0.00 0.00 175.10 178.31 1x4x h GLU 49 N 7.84 0.00 -0.53 2.72 -0.00 -1.92 0.76 114.58 123.46 1x4x h GLU 49 Ca -0.43 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 58.84 1x4x h GLU 49 Cb 1.15 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.88 1x4x h GLU 49 CO 0.62 0.00 -0.03 0.78 -0.00 0.00 0.00 179.01 180.38 1x4x h GLY 50 N 0.00 0.99 -6.66 1.06 0.00 -2.02 -3.42 103.07 93.02 1x4x h GLY 50 Ca 0.64 -0.71 -0.44 0.00 0.00 0.00 0.00 47.33 46.81 1x4x h GLY 50 CO -0.01 0.66 -0.77 -0.45 0.00 0.00 0.00 176.54 175.96 1x4x s SER 51 N -6.63 1.44 0.22 0.19 0.15 0.27 -5.14 113.70 104.19 1x4x s SER 51 Ca -0.10 -0.13 -0.05 0.00 0.70 0.00 0.00 55.95 56.37 1x4x s SER 51 Cb 0.14 -0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 1x4x s SER 51 CO 0.84 -0.13 0.25 -0.04 1.20 0.00 0.00 173.24 175.36 1x4x s MET 52 N 1.52 1.34 0.16 5.44 -1.94 -1.26 -3.74 119.30 120.82 1x4x s MET 52 Ca -0.01 -1.52 -0.12 0.00 -1.71 0.00 0.00 55.69 52.33 1x4x s MET 52 Cb -0.13 0.34 0.01 0.00 2.01 0.00 0.00 34.83 37.05 1x4x s MET 52 CO -0.04 -0.49 0.34 -0.65 -0.01 0.00 0.00 175.02 174.17 1x4x s GLN 53 N -4.07 1.15 -0.39 2.03 1.11 -1.26 -4.97 119.66 113.27 1x4x s GLN 53 Ca 0.34 -1.01 -0.28 0.00 0.01 0.00 0.00 55.36 54.41 1x4x s GLN 53 Cb 0.04 0.42 -0.02 0.00 -1.01 0.00 0.00 33.01 32.43 1x4x s GLN 53 CO 0.12 -0.44 1.87 0.42 0.01 0.00 0.00 175.29 177.27 1x4x s ILE 54 N -3.91 3.40 -0.07 1.08 -1.09 -1.26 -0.36 121.20 118.99 1x4x s ILE 54 Ca 0.12 0.38 -0.20 0.00 -2.23 0.00 0.00 60.65 58.71 1x4x s ILE 54 Cb 0.02 -3.64 -0.29 0.00 -1.58 0.00 0.00 42.46 36.97 1x4x s ILE 54 CO -0.04 -0.47 0.76 0.00 -1.23 0.00 0.00 174.94 173.96 1x4x s TYR 56 N -2.43 0.05 -0.01 0.00 6.14 -1.08 -5.03 117.35 114.98 1x4x s TYR 56 Ca -0.16 -0.11 0.01 0.00 0.64 0.00 0.00 57.07 57.45 1x4x s TYR 56 Cb 0.02 -0.06 0.01 0.00 0.42 0.00 0.00 41.96 42.35 1x4x s TYR 56 CO 0.80 -0.17 -0.03 0.00 0.64 0.00 0.00 175.55 176.79 1x4x n GLY 58 N 3.36 2.70 0.00 0.00 0.00 -0.43 -4.93 105.19 105.89 1x4x n GLY 58 Ca -0.17 -1.24 0.07 0.00 0.00 0.00 0.00 46.02 44.67 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 0.10 -0.79 1.61 -0.04 -1.26 -0.68 135.00 132.62 1x4x n PRO 59 Ca 0.00 0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 63.32 1x4x n PRO 59 Cb 0.00 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.70 0.00 0.55 0.00 -1.26 -4.83 105.19 96.92 1x4x n GLY 60 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1x4x n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4x n LEU 61 N -0.14 0.00 -3.88 0.99 4.77 -1.26 -4.82 117.00 112.67 1x4x n LEU 61 Ca 0.01 -0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 55.62 1x4x n LEU 61 Cb 0.62 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.56 1x4x n LEU 61 CO 0.50 0.00 -0.38 -0.94 -1.33 0.00 0.00 177.39 175.24 1x4x s SER 62 N -1.26 0.38 0.03 -1.43 1.04 -1.26 -2.43 113.70 108.77 1x4x s SER 62 Ca 0.00 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.40 1x4x s SER 62 Cb 0.00 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 1x4x s SER 62 CO 0.00 -0.02 -0.06 -0.47 0.98 0.00 0.00 173.24 173.67 1x4x s TYR 63 N 0.42 0.49 -0.11 5.02 5.04 -0.97 -5.05 117.35 122.19 1x4x s TYR 63 Ca -0.04 -0.53 0.02 0.00 -2.44 0.00 0.00 57.07 54.08 1x4x s TYR 63 Cb -0.07 -0.31 -0.01 0.00 0.35 0.00 0.00 41.96 41.92 1x4x s TYR 63 CO -0.01 -0.14 -0.16 -2.00 -1.34 0.00 0.00 175.55 171.90 1x4x s GLU 64 N -1.58 3.14 -0.07 4.97 2.12 -1.26 -1.17 118.70 124.84 1x4x s GLU 64 Ca -0.12 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.48 1x4x s GLU 64 Cb -0.10 -2.50 -0.03 0.00 0.26 0.00 0.00 34.13 31.77 1x4x s GLU 64 CO -0.00 0.27 -0.12 0.42 -0.54 0.00 0.00 175.26 175.29 1x4x s ILE 65 N 0.17 3.28 0.30 -3.70 1.01 0.11 -4.99 121.20 117.37 1x4x s ILE 65 Ca -0.09 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 59.98 1x4x s ILE 65 Cb -0.15 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 1x4x s ILE 65 CO 0.06 0.58 0.22 -0.54 0.00 0.00 0.00 174.94 175.25 1x4x s LYS 66 N -0.54 1.63 -0.44 2.79 1.02 -1.26 -0.29 119.74 122.64 1x4x s LYS 66 Ca 0.08 -1.93 -0.02 0.00 0.02 0.00 0.00 55.97 54.11 1x4x s LYS 66 Cb -0.12 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 1x4x s LYS 66 CO 0.02 -0.55 0.38 0.41 -0.92 0.00 0.00 175.35 174.69 1x4x n GLY 67 N -0.56 0.40 3.97 -3.33 0.00 -0.88 -4.98 105.19 99.81 1x4x n GLY 67 Ca 0.04 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.16 2.91 0.00 0.99 1.43 -1.08 -5.05 118.68 114.71 1x4x s LEU 68 Ca 0.16 -1.04 0.06 0.00 -1.03 0.00 0.00 54.13 52.27 1x4x s LEU 68 Cb -0.07 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 1x4x s LEU 68 CO 0.24 -1.21 -0.18 -0.44 0.23 0.00 0.00 176.35 174.99 1x4x s SER 69 N -4.47 3.79 0.64 2.29 0.01 -1.26 -4.39 113.70 110.31 1x4x s SER 69 Ca 0.48 -0.35 -0.16 0.00 1.31 0.00 0.00 55.95 57.23 1x4x s SER 69 Cb -0.04 -0.66 -0.01 0.00 0.21 0.00 0.00 66.02 65.52 1x4x s SER 69 CO 0.30 0.29 1.11 -2.16 0.41 0.00 0.00 173.24 173.19 1x4x s PRO 70 N -1.10 2.91 -1.26 12.44 0.04 -1.23 -3.86 135.00 142.93 1x4x s PRO 70 Ca 0.13 1.42 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 1x4x s PRO 70 Cb -0.10 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1x4x s PRO 70 CO 0.03 -1.17 0.69 0.00 0.04 0.00 0.00 177.00 176.59 1x4x n ALA 71 N -2.23 -2.19 -3.02 8.56 0.00 -0.73 -4.85 120.51 116.05 1x4x n ALA 71 Ca 0.10 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1x4x n ALA 71 Cb 0.52 -2.75 -0.12 0.00 0.00 0.00 0.00 19.45 17.10 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 -3.65 0.03 0.31 0.00 2.01 -1.24 -4.93 115.64 108.17 1x4x s THR 72 Ca 0.16 -0.29 -0.15 0.00 0.31 0.00 0.00 61.69 61.73 1x4x s THR 72 Cb -0.05 -0.25 -0.09 0.00 0.01 0.00 0.00 72.50 72.13 1x4x s THR 72 CO 0.83 -0.16 0.72 -0.89 -0.69 0.00 0.00 174.62 174.43 1x4x s THR 73 N -0.49 4.70 0.17 -0.82 2.01 -1.26 -1.28 115.64 118.68 1x4x s THR 73 Ca -0.06 0.91 -0.04 0.00 0.31 0.00 0.00 61.69 62.81 1x4x s THR 73 Cb -0.04 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1x4x s THR 73 CO 0.00 -0.16 0.17 -0.31 -0.69 0.00 0.00 174.62 173.63 1x4x s TYR 74 N -1.95 0.81 -0.03 4.92 2.02 -0.13 -4.63 117.35 118.35 1x4x s TYR 74 Ca 0.53 -1.13 -0.15 0.00 -0.37 0.00 0.00 57.07 55.95 1x4x s TYR 74 Cb -0.10 -0.35 0.03 0.00 -0.40 0.00 0.00 41.96 41.13 1x4x s TYR 74 CO 0.18 -0.65 0.33 0.71 -1.57 0.00 0.00 175.55 174.55 1x4x s TYR 75 N -4.06 -0.22 0.07 2.71 2.02 -1.25 -2.48 117.35 114.13 1x4x s TYR 75 Ca 0.27 0.37 -0.09 0.00 -0.37 0.00 0.00 57.07 57.26 1x4x s TYR 75 Cb 0.06 0.11 -0.00 0.00 -0.40 0.00 0.00 41.96 41.73 1x4x s TYR 75 CO 0.05 -0.37 0.18 0.00 -1.57 0.00 0.00 175.55 173.84 1x4x s ARG 77 N -3.43 0.41 0.02 0.00 1.70 -0.97 -2.71 118.95 113.97 1x4x s ARG 77 Ca 0.02 0.89 0.07 0.00 -0.47 0.00 0.00 55.73 56.24 1x4x s ARG 77 Cb 0.03 0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.46 1x4x s ARG 77 CO -0.09 -0.18 -0.21 0.54 -1.08 0.00 0.00 175.30 174.29 1x4x s VAL 78 N 1.71 2.57 0.12 4.99 0.11 -1.26 -2.08 120.40 126.57 1x4x s VAL 78 Ca -0.08 -1.17 -0.01 0.00 -2.93 0.00 0.00 61.98 57.80 1x4x s VAL 78 Cb -0.09 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 1x4x s VAL 78 CO -0.14 0.41 0.03 0.00 -3.33 0.00 0.00 175.10 172.07 1x4x s GLN 79 N -1.20 0.90 -0.18 1.54 -2.07 -1.25 -2.10 119.66 115.31 1x4x s GLN 79 Ca 0.13 -1.42 -0.06 0.00 -1.82 0.00 0.00 55.36 52.20 1x4x s GLN 79 Cb -0.10 0.16 -0.03 0.00 -1.09 0.00 0.00 33.01 31.95 1x4x s GLN 79 CO 0.03 -0.22 0.01 0.00 -1.32 0.00 0.00 175.29 173.80 1x4x s ALA 80 N -3.97 3.17 0.10 2.60 0.00 -1.26 -3.99 121.76 118.41 1x4x s ALA 80 Ca 0.21 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1x4x s ALA 80 Cb 0.07 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1x4x s ALA 80 CO 0.00 0.10 0.22 -0.51 0.00 0.00 0.00 175.76 175.56 1x4x s LEU 81 N 0.55 4.26 0.00 0.00 1.02 -1.08 -0.78 118.68 122.66 1x4x s LEU 81 Ca 0.00 0.19 0.07 0.00 0.02 0.00 0.00 54.13 54.41 1x4x s LEU 81 Cb -0.14 -2.86 -0.03 0.00 0.02 0.00 0.00 46.19 43.18 1x4x s LEU 81 CO 0.02 0.13 0.27 -1.54 0.02 0.00 0.00 176.35 175.24 1x4x n SER 82 N 0.00 -0.54 -0.64 2.29 3.41 -0.65 -0.60 113.62 116.89 1x4x n SER 82 Ca -0.06 -3.18 0.12 0.00 -0.26 0.00 0.00 58.87 55.49 1x4x n SER 82 Cb 0.52 1.61 0.38 0.00 -0.26 0.00 0.00 64.21 66.46 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 -0.65 0.13 -0.11 -3.33 0.24 -1.26 -3.81 118.33 109.53 1x4x n VAL 83 Ca 0.07 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1x4x n VAL 83 Cb 0.60 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 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 0.53 0.00 -3.82 3.34 3.14 -1.26 -5.11 118.33 115.15 1x4x n VAL 84 Ca 0.17 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 1x4x n VAL 84 Cb 0.41 1.11 0.00 0.00 -1.06 0.00 0.00 33.84 34.30 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 0.06 -0.78 2.75 7.55 0.00 -1.25 -4.68 105.19 108.84 1x4x n GLY 85 Ca 0.00 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 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 0.51 0.99 4.61 0.00 -1.26 -1.63 121.76 123.97 1x4x s ALA 86 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 1x4x s ALA 86 Cb 0.00 -0.63 0.18 0.00 0.00 0.00 0.00 23.12 22.67 1x4x s ALA 86 CO 0.00 -0.39 1.09 0.20 0.00 0.00 0.00 175.76 176.66 1x4x s GLY 87 N 1.85 1.62 1.21 0.00 0.00 0.04 -5.02 107.32 107.02 1x4x s GLY 87 Ca 0.02 0.18 -0.19 0.00 0.00 0.00 0.00 44.72 44.73 1x4x s GLY 87 CO -0.04 0.71 1.11 2.56 0.00 0.00 0.00 173.10 177.44 1x4x s PRO 88 N -4.67 -1.28 -0.17 2.90 0.04 -1.26 -4.58 135.00 125.98 1x4x s PRO 88 Ca 0.66 -0.08 -0.13 0.00 0.04 0.00 0.00 61.00 61.48 1x4x s PRO 88 Cb -0.22 -1.59 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 1x4x s PRO 88 CO 0.60 -3.75 0.28 -0.06 0.04 0.00 0.00 177.00 174.11 1x4x s PHE 89 N -3.01 3.45 1.33 0.56 0.08 -1.26 -4.39 117.98 114.74 1x4x s PHE 89 Ca 0.71 0.57 -0.20 0.00 0.12 0.00 0.00 56.93 58.12 1x4x s PHE 89 Cb -0.09 -2.33 0.32 0.00 -0.57 0.00 0.00 43.02 40.35 1x4x s PHE 89 CO 0.56 0.23 0.73 -1.13 -0.10 0.00 0.00 175.22 175.52 1x4x n SER 90 N 3.60 -3.64 -4.65 1.36 3.41 -0.89 -4.84 113.62 107.97 1x4x n SER 90 Ca -0.12 -0.67 -0.43 0.00 -0.26 0.00 0.00 58.87 57.39 1x4x n SER 90 Cb 0.52 -0.97 -0.02 0.00 -0.26 0.00 0.00 64.21 63.48 1x4x n SER 90 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x4x s GLU 91 N -4.56 4.08 -0.30 4.33 0.41 -1.26 -4.79 118.70 116.61 1x4x s GLU 91 Ca 0.59 1.79 -0.39 0.00 -0.41 0.00 0.00 54.97 56.55 1x4x s GLU 91 Cb -0.12 -3.91 -0.15 0.00 -1.78 0.00 0.00 34.13 28.17 1x4x s GLU 91 CO 0.51 -0.93 1.85 0.28 -0.49 0.00 0.00 175.26 176.49 1x4x n VAL 92 N 5.73 0.29 -3.15 2.63 0.31 -1.26 -4.61 118.33 118.27 1x4x n VAL 92 Ca 0.16 -0.09 -0.44 0.00 -0.01 0.00 0.00 64.34 63.96 1x4x n VAL 92 Cb 0.44 -1.29 -0.05 0.00 -0.91 0.00 0.00 33.84 32.03 1x4x n VAL 92 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1x4x s VAL 93 N 4.38 4.86 0.38 2.52 1.01 -1.10 -4.93 120.40 127.52 1x4x s VAL 93 Ca 1.01 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 1x4x s VAL 93 Cb -1.04 -4.38 -0.10 0.00 0.00 0.00 0.00 36.38 30.86 1x4x s VAL 93 CO 0.62 -0.95 0.86 0.00 0.00 0.00 0.00 175.10 175.64 1x4x s ALA 94 N 2.61 3.16 -0.27 5.51 0.00 -1.26 -3.56 121.76 127.96 1x4x s ALA 94 Ca 0.13 0.26 -0.24 0.00 0.00 0.00 0.00 51.96 52.11 1x4x s ALA 94 Cb -0.22 -3.00 0.08 0.00 0.00 0.00 0.00 23.12 19.99 1x4x s ALA 94 CO 0.09 0.21 0.77 0.00 0.00 0.00 0.00 175.76 176.84 1x4x s VAL 96 N 0.43 3.44 0.52 0.00 1.01 -1.26 -0.96 120.40 123.58 1x4x s VAL 96 Ca -0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 1x4x s VAL 96 Cb -0.05 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.77 1x4x s VAL 96 CO -0.02 0.49 1.09 0.42 0.00 0.00 0.00 175.10 177.09 1x4x s THR 97 N 0.59 3.43 0.48 3.92 -4.23 -0.40 -4.89 115.64 114.54 1x4x s THR 97 Ca -0.05 0.89 -0.22 0.00 -1.18 0.00 0.00 61.69 61.14 1x4x s THR 97 Cb -0.15 -3.36 -0.07 0.00 1.34 0.00 0.00 72.50 70.26 1x4x s THR 97 CO 0.03 -0.19 1.15 -2.16 -0.54 0.00 0.00 174.62 172.91 1x4x s PRO 98 N -3.25 3.65 0.25 3.99 0.04 -1.26 -1.77 135.00 136.65 1x4x s PRO 98 Ca 0.70 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 63.17 1x4x s PRO 98 Cb -0.21 -2.30 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 1x4x s PRO 98 CO 0.24 -0.63 1.27 -1.25 0.04 0.00 0.00 177.00 176.67 1x4x s PRO 99 N -2.86 4.43 -0.18 0.56 0.04 -1.26 -2.54 135.00 133.19 1x4x s PRO 99 Ca 0.66 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.66 1x4x s PRO 99 Cb -0.27 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 1x4x s PRO 99 CO 0.32 -0.15 0.12 0.45 0.04 0.00 0.00 177.00 177.79 1x4x s SER 100 N -0.12 6.16 -0.01 6.66 0.15 -1.26 -4.91 113.70 120.38 1x4x s SER 100 Ca 0.52 0.26 -0.02 0.00 0.70 0.00 0.00 55.95 57.41 1x4x s SER 100 Cb -0.36 -2.06 -0.01 0.00 -1.71 0.00 0.00 66.02 61.87 1x4x s SER 100 CO 0.43 0.23 -0.05 -1.20 1.20 0.00 0.00 173.24 173.85 1x4x n SER 101 N 3.18 0.56 0.00 5.45 7.64 -1.26 -5.08 113.62 124.11 1x4x n SER 101 Ca -0.17 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1x4x n SER 101 Cb 0.53 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 2.91 -0.63 0.00 0.23 0.00 -1.26 -4.95 105.19 101.50 1x4x n GLY 102 Ca -0.06 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.42 1x4x n GLY 102 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4x n PRO 103 N 0.00 0.48 -2.13 1.61 -0.04 -1.26 -4.81 135.00 128.86 1x4x n PRO 103 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1x4x n PRO 103 Cb 0.00 -1.36 -0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1x4x n PRO 103 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x4x s SER 104 N -1.87 6.18 -0.28 3.54 1.04 -1.26 -5.03 113.70 116.03 1x4x s SER 104 Ca 0.17 2.50 -0.02 0.00 0.48 0.00 0.00 55.95 59.08 1x4x s SER 104 Cb 0.08 -2.62 0.16 0.00 0.10 0.00 0.00 66.02 63.74 1x4x s SER 104 CO 0.13 -0.92 0.51 -0.55 0.98 0.00 0.00 173.24 173.39 1x4x s SER 105 N -1.03 -0.73 0.00 7.02 0.15 -1.26 -5.02 113.70 112.83 1x4x s SER 105 Ca 0.61 0.66 0.30 0.00 0.70 0.00 0.00 55.95 58.22 1x4x s SER 105 Cb -0.34 1.75 1.49 0.00 -1.71 0.00 0.00 66.02 67.21 1x4x s SER 105 CO 0.42 -0.27 1.99 0.61 1.20 0.00 0.00 173.24 177.19