#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4x n SER 2 N 0.00 3.04 -4.73 1.61 3.41 -1.26 -4.97 113.62 110.72 1x4x n SER 2 Ca 0.00 1.02 -0.24 0.00 -0.26 0.00 0.00 58.87 59.39 1x4x n SER 2 Cb 0.00 -1.31 -0.07 0.00 -0.26 0.00 0.00 64.21 62.57 1x4x n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x4x s SER 3 N 3.33 4.45 0.00 4.04 1.04 -1.26 -4.92 113.70 120.39 1x4x s SER 3 Ca 0.92 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1x4x s SER 3 Cb -0.80 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 64.79 1x4x s SER 3 CO 0.53 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1x4x n GLY 4 N -1.19 0.83 3.92 7.32 0.00 -1.26 -4.95 105.19 109.86 1x4x n GLY 4 Ca -0.02 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 -4.00 6.39 0.06 1.61 0.01 -1.26 -5.12 113.70 111.39 1x4x s SER 5 Ca 0.00 0.34 0.04 0.00 1.31 0.00 0.00 55.95 57.64 1x4x s SER 5 Cb 0.00 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 1x4x s SER 5 CO 0.00 0.08 -0.12 -0.55 0.41 0.00 0.00 173.24 173.07 1x4x s SER 6 N -2.76 1.36 0.00 2.44 0.15 -1.26 -5.07 113.70 108.56 1x4x s SER 6 Ca 0.37 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1x4x s SER 6 Cb -0.12 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1x4x s SER 6 CO 0.28 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1x4x n GLY 7 N 1.31 0.71 3.57 9.45 0.00 -1.26 -3.99 105.19 114.98 1x4x n GLY 7 Ca -0.22 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.00 -1.61 0.50 1.61 0.04 -1.26 -5.04 135.00 127.25 1x4x s PRO 8 Ca 0.00 -0.20 -0.11 0.00 0.04 0.00 0.00 61.00 60.73 1x4x s PRO 8 Cb 0.00 -1.56 -0.06 0.00 0.04 0.00 0.00 34.50 32.92 1x4x s PRO 8 CO 0.00 -3.94 0.90 0.34 0.04 0.00 0.00 177.00 174.34 1x4x s ASP 9 N -4.00 6.43 0.39 6.66 2.15 -1.26 -4.89 116.67 122.15 1x4x s ASP 9 Ca 0.72 1.29 -0.23 0.00 0.43 0.00 0.00 52.55 54.76 1x4x s ASP 9 Cb -0.08 -2.40 -0.14 0.00 -0.30 0.00 0.00 42.92 40.01 1x4x s ASP 9 CO 0.56 -0.61 0.40 1.67 -0.17 0.00 0.00 175.17 177.02 1x4x n GLN 10 N -1.93 0.34 -3.14 4.34 7.27 -1.26 -4.80 117.38 118.20 1x4x n GLN 10 Ca 0.04 0.12 -0.35 0.00 0.07 0.00 0.00 57.00 56.88 1x4x n GLN 10 Cb 0.54 -1.29 -0.06 0.00 2.41 0.00 0.00 30.24 31.84 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 -2.23 3.91 0.08 0.00 -0.14 -1.26 -3.98 119.74 116.12 1x4x s LYS 12 Ca 0.45 0.61 -0.31 0.00 -1.36 0.00 0.00 55.97 55.36 1x4x s LYS 12 Cb -0.15 -2.39 -0.07 0.00 -1.68 0.00 0.00 37.83 33.54 1x4x s LYS 12 CO 0.20 0.05 1.39 -1.25 -0.76 0.00 0.00 175.35 174.97 1x4x s PRO 13 N -3.42 4.32 1.13 -1.68 0.04 -1.26 -4.65 135.00 129.47 1x4x s PRO 13 Ca 0.53 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 63.44 1x4x s PRO 13 Cb -0.10 -3.35 0.25 0.00 0.04 0.00 0.00 34.50 31.35 1x4x s PRO 13 CO 0.24 -0.47 1.10 -1.25 0.04 0.00 0.00 177.00 176.67 1x4x s PRO 14 N 1.46 -0.66 -0.28 0.56 0.04 -1.26 -4.94 135.00 129.93 1x4x s PRO 14 Ca 0.64 0.13 -0.08 0.00 0.04 0.00 0.00 61.00 61.74 1x4x s PRO 14 Cb -0.35 -1.64 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1x4x s PRO 14 CO 0.29 -3.38 0.09 -1.14 0.04 0.00 0.00 177.00 172.91 1x4x s GLN 15 N -5.25 3.36 0.10 4.56 2.00 0.13 -4.85 119.66 119.72 1x4x s GLN 15 Ca 0.69 -0.68 -0.12 0.00 -2.00 0.00 0.00 55.36 53.25 1x4x s GLN 15 Cb -0.13 -3.40 -0.06 0.00 0.80 0.00 0.00 33.01 30.22 1x4x s GLN 15 CO 0.57 -0.34 0.46 0.14 -0.50 0.00 0.00 175.29 175.62 1x4x s VAL 16 N 1.57 5.00 -0.10 1.34 -7.23 -1.26 -2.19 120.40 117.53 1x4x s VAL 16 Ca 0.05 0.62 -0.03 0.00 -1.81 0.00 0.00 61.98 60.81 1x4x s VAL 16 Cb -0.16 -3.69 0.05 0.00 0.56 0.00 0.00 36.38 33.14 1x4x s VAL 16 CO 0.04 0.29 0.10 -0.89 -0.31 0.00 0.00 175.10 174.32 1x4x s THR 17 N -1.40 -0.14 -1.20 5.32 2.01 0.06 -4.96 115.64 115.33 1x4x s THR 17 Ca 0.34 0.19 -0.22 0.00 0.31 0.00 0.00 61.69 62.31 1x4x s THR 17 Cb -0.15 -0.35 -0.06 0.00 0.01 0.00 0.00 72.50 71.95 1x4x s THR 17 CO 0.18 -0.00 1.91 0.00 -0.69 0.00 0.00 174.62 176.01 1x4x h ARG 19 N 9.44 0.37 0.00 0.00 2.47 -1.62 -3.45 114.38 121.59 1x4x h ARG 19 Ca 0.25 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.97 1x4x h ARG 19 Cb 0.93 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.16 1x4x h ARG 19 CO 1.26 0.24 0.20 0.43 0.56 0.00 0.00 179.97 182.67 1x4x n SER 20 N -5.05 -1.06 -0.16 7.04 7.64 -0.53 -4.93 113.62 116.57 1x4x n SER 20 Ca 0.25 -1.67 -0.02 0.00 1.01 0.00 0.00 58.87 58.44 1x4x n SER 20 Cb 0.75 1.75 0.06 0.00 -1.01 0.00 0.00 64.21 65.77 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 0.49 -0.40 -0.43 0.00 -1.87 -2.45 119.26 116.60 1x4x h ALA 21 Ca -0.16 0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1x4x h ALA 21 Cb 0.62 0.26 -0.18 0.00 0.00 0.00 0.00 17.79 18.49 1x4x h ALA 21 CO 0.20 -0.38 -0.35 0.25 0.00 0.00 0.00 179.25 178.97 1x4x n THR 22 N -5.23 2.52 -3.87 0.00 -2.24 -1.26 -3.48 114.28 100.72 1x4x n THR 22 Ca 0.06 -3.32 -0.12 0.00 -2.27 0.00 0.00 64.05 58.40 1x4x n THR 22 Cb 0.28 -0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 67.80 1x4x n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4x s ALA 24 N -0.09 -0.45 0.05 0.00 0.00 -0.35 -1.45 121.76 119.46 1x4x s ALA 24 Ca -0.01 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.61 1x4x s ALA 24 Cb -0.01 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 1x4x s ALA 24 CO -0.00 -0.51 -0.10 -1.14 0.00 0.00 0.00 175.76 174.01 1x4x s GLN 25 N -3.53 0.66 0.07 0.00 2.00 0.43 -0.77 119.66 118.53 1x4x s GLN 25 Ca 0.02 -0.78 0.05 0.00 -2.00 0.00 0.00 55.36 52.65 1x4x s GLN 25 Cb 0.03 -0.55 -0.03 0.00 0.80 0.00 0.00 33.01 33.26 1x4x s GLN 25 CO -0.09 0.12 -0.14 0.08 -0.50 0.00 0.00 175.29 174.76 1x4x s VAL 26 N -1.19 1.08 -0.19 1.34 1.01 -1.00 -0.76 120.40 120.69 1x4x s VAL 26 Ca -0.05 -1.32 -0.05 0.00 0.00 0.00 0.00 61.98 60.57 1x4x s VAL 26 Cb -0.09 -1.07 0.09 0.00 0.00 0.00 0.00 36.38 35.31 1x4x s VAL 26 CO 0.01 -0.25 0.32 0.20 0.00 0.00 0.00 175.10 175.38 1x4x s ASN 27 N -1.78 0.33 0.47 3.32 -0.87 -0.93 -3.24 114.94 112.24 1x4x s ASN 27 Ca -0.02 0.48 0.04 0.00 -1.57 0.00 0.00 52.86 51.79 1x4x s ASN 27 Cb -0.10 0.92 0.04 0.00 -0.02 0.00 0.00 41.25 42.09 1x4x s ASN 27 CO 0.02 -0.27 0.31 -2.67 -2.57 0.00 0.00 177.10 171.93 1x4x n TRP 28 N 5.36 -0.51 -3.76 2.20 2.14 -1.25 0.22 117.44 121.84 1x4x n TRP 28 Ca -0.06 -2.04 -0.10 0.00 2.07 0.00 0.00 57.50 57.37 1x4x n TRP 28 Cb 0.50 -0.38 -0.07 0.00 -0.81 0.00 0.00 31.31 30.55 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 -3.91 0.89 0.13 -2.67 0.41 -1.26 -4.89 118.70 107.39 1x4x s GLU 29 Ca 0.24 -0.72 -0.26 0.00 -0.41 0.00 0.00 54.97 53.83 1x4x s GLU 29 Cb -0.02 0.38 -0.07 0.00 -1.78 0.00 0.00 34.13 32.64 1x4x s GLU 29 CO 0.15 -0.30 0.79 0.08 -0.49 0.00 0.00 175.26 175.49 1x4x s VAL 30 N -3.34 4.47 1.22 2.63 1.01 -1.26 -4.55 120.40 120.59 1x4x s VAL 30 Ca 0.01 1.72 -0.20 0.00 0.00 0.00 0.00 61.98 63.50 1x4x s VAL 30 Cb 0.02 -4.15 0.30 0.00 0.00 0.00 0.00 36.38 32.55 1x4x s VAL 30 CO -0.08 0.46 1.11 -2.16 0.00 0.00 0.00 175.10 174.43 1x4x s PRO 31 N -0.75 -1.41 -1.34 2.72 0.04 -1.26 -4.91 135.00 128.10 1x4x s PRO 31 Ca 0.37 -0.13 -0.13 0.00 0.04 0.00 0.00 61.00 61.16 1x4x s PRO 31 Cb -0.22 -1.58 0.11 0.00 0.04 0.00 0.00 34.50 32.84 1x4x s PRO 31 CO 0.26 -3.82 1.92 -0.11 0.04 0.00 0.00 177.00 175.28 1x4x n LEU 32 N -4.83 6.27 -4.24 -3.56 7.94 -1.26 -4.91 117.00 112.41 1x4x n LEU 32 Ca 0.14 -4.34 -0.41 0.00 -1.11 0.00 0.00 56.01 50.30 1x4x n LEU 32 Cb 0.60 -1.60 -0.09 0.00 0.53 0.00 0.00 43.42 42.85 1x4x n LEU 32 CO 0.44 1.01 -0.06 -0.55 -1.11 0.00 0.00 177.39 177.12 1x4x s SER 33 N 2.45 5.68 -0.52 1.96 0.15 -1.26 -4.72 113.70 117.44 1x4x s SER 33 Ca 0.45 -1.73 -0.02 0.00 0.70 0.00 0.00 55.95 55.34 1x4x s SER 33 Cb 0.09 -2.00 0.25 0.00 -1.71 0.00 0.00 66.02 62.64 1x4x s SER 33 CO -0.02 -0.63 2.23 -0.46 1.20 0.00 0.00 173.24 175.57 1x4x n ASN 34 N 4.92 6.94 0.00 5.45 2.04 -1.26 -4.65 115.26 128.69 1x4x n ASN 34 Ca -0.09 -3.40 0.00 0.00 -0.44 0.00 0.00 54.58 50.65 1x4x n ASN 34 Cb 0.42 -1.09 0.00 0.00 -2.53 0.00 0.00 39.78 36.58 1x4x n ASN 34 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1x4x n GLY 35 N 0.05 -0.18 3.79 4.83 0.00 -1.26 -5.13 105.19 107.29 1x4x n GLY 35 Ca 0.47 0.22 -0.37 0.00 0.00 0.00 0.00 46.02 46.34 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 0.04 4.31 -0.06 2.61 -1.32 -1.26 -5.05 115.64 114.90 1x4x s THR 36 Ca 0.00 1.68 -0.13 0.00 -1.21 0.00 0.00 61.69 62.03 1x4x s THR 36 Cb 0.00 -3.98 -0.05 0.00 -1.51 0.00 0.00 72.50 66.96 1x4x s THR 36 CO 0.00 0.17 0.34 -0.62 -2.21 0.00 0.00 174.62 172.30 1x4x s ASP 37 N -1.61 6.65 -0.09 8.08 2.15 -1.26 -4.91 116.67 125.68 1x4x s ASP 37 Ca 0.48 0.78 -0.29 0.00 0.43 0.00 0.00 52.55 53.94 1x4x s ASP 37 Cb -0.18 -2.20 -0.07 0.00 -0.30 0.00 0.00 42.92 40.17 1x4x s ASP 37 CO 0.23 0.29 2.02 -0.69 -0.17 0.00 0.00 175.17 176.84 1x4x s VAL 38 N -0.71 3.10 0.01 1.11 1.01 -1.26 -4.73 120.40 118.92 1x4x s VAL 38 Ca 0.21 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.05 1x4x s VAL 38 Cb -0.15 -3.10 -0.18 0.00 0.00 0.00 0.00 36.38 32.96 1x4x s VAL 38 CO 0.10 -0.04 1.32 0.71 0.00 0.00 0.00 175.10 177.19 1x4x h THR 39 N 6.25 0.95 -3.54 3.92 1.35 -0.38 -3.47 112.91 117.99 1x4x h THR 39 Ca -0.44 -0.67 -0.06 0.00 -0.55 0.00 0.00 66.41 64.68 1x4x h THR 39 Cb 1.23 1.35 -0.13 0.00 -1.73 0.00 0.00 68.15 68.87 1x4x h THR 39 CO 0.95 0.15 -0.18 -1.83 -0.25 0.00 0.00 175.52 174.37 1x4x s GLU 40 N -4.77 0.99 -0.20 4.72 -1.05 -1.25 -4.68 118.70 112.46 1x4x s GLU 40 Ca -0.15 -0.80 -0.01 0.00 -0.15 0.00 0.00 54.97 53.86 1x4x s GLU 40 Cb 0.03 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1x4x s GLU 40 CO 0.60 -0.36 -0.12 0.71 0.95 0.00 0.00 175.26 177.04 1x4x s TYR 41 N -3.82 2.87 -0.39 4.83 1.51 -0.99 -2.21 117.35 119.15 1x4x s TYR 41 Ca 0.04 -1.24 -0.10 0.00 -1.01 0.00 0.00 57.07 54.75 1x4x s TYR 41 Cb 0.03 -2.01 0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1x4x s TYR 41 CO -0.12 -0.65 0.22 1.03 -1.11 0.00 0.00 175.55 174.92 1x4x s ARG 42 N 1.35 2.76 -0.29 -0.62 0.52 -1.24 -2.48 118.95 118.95 1x4x s ARG 42 Ca 0.05 -1.19 -0.08 0.00 -0.52 0.00 0.00 55.73 53.98 1x4x s ARG 42 Cb -0.14 -3.74 -0.01 0.00 0.52 0.00 0.00 34.95 31.58 1x4x s ARG 42 CO -0.07 -0.78 0.10 -1.17 0.02 0.00 0.00 175.30 173.40 1x4x s LEU 43 N 1.52 3.81 -0.20 2.53 2.96 -0.71 -3.62 118.68 124.96 1x4x s LEU 43 Ca 0.02 -0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 1x4x s LEU 43 Cb -0.20 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 1x4x s LEU 43 CO 0.05 -0.14 0.12 -1.61 -1.32 0.00 0.00 176.35 173.45 1x4x s GLU 44 N 1.57 4.13 -0.16 1.98 2.02 -0.87 -1.03 118.70 126.34 1x4x s GLU 44 Ca 0.04 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.79 1x4x s GLU 44 Cb -0.16 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 30.69 1x4x s GLU 44 CO 0.04 0.25 -0.16 -0.46 0.02 0.00 0.00 175.26 174.96 1x4x s TRP 45 N 0.48 2.35 -0.02 1.61 -0.11 -0.93 -2.26 118.94 120.06 1x4x s TRP 45 Ca 0.07 -1.36 -0.01 0.00 1.22 0.00 0.00 56.10 56.03 1x4x s TRP 45 Cb -0.12 -1.69 0.02 0.00 -1.50 0.00 0.00 33.47 30.19 1x4x s TRP 45 CO -0.01 -0.71 0.04 0.20 -4.62 0.00 0.00 176.95 171.85 1x4x s GLY 46 N 1.43 0.05 0.36 5.86 0.00 -0.87 -4.32 107.32 109.83 1x4x s GLY 46 Ca 0.05 0.28 0.18 0.00 0.00 0.00 0.00 44.72 45.22 1x4x s GLY 46 CO -0.11 0.54 1.60 -1.33 0.00 0.00 0.00 173.10 173.80 1x4x h GLY 47 N 6.95 2.12 -5.91 0.20 0.00 -1.83 -2.68 103.07 101.93 1x4x h GLY 47 Ca -0.39 -0.14 -0.67 0.00 0.00 0.00 0.00 47.33 46.13 1x4x h GLY 47 CO 0.48 -0.71 -0.85 0.14 0.00 0.00 0.00 176.54 175.60 1x4x s VAL 48 N -5.60 2.20 0.53 4.60 1.01 -1.26 -3.53 120.40 118.35 1x4x s VAL 48 Ca -0.10 -0.92 0.37 0.00 0.00 0.00 0.00 61.98 61.34 1x4x s VAL 48 Cb 0.33 -1.91 0.56 0.00 0.00 0.00 0.00 36.38 35.36 1x4x s VAL 48 CO 0.78 0.54 1.78 1.05 0.00 0.00 0.00 175.10 179.24 1x4x h GLU 49 N 7.58 0.02 -0.87 2.72 4.11 -1.92 0.31 114.58 126.54 1x4x h GLU 49 Ca -0.38 -0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.14 1x4x h GLU 49 Cb 1.17 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1x4x h GLU 49 CO 0.59 0.02 0.56 0.78 0.07 0.00 0.00 179.01 181.03 1x4x h GLY 50 N 0.02 1.23 -6.87 1.06 0.00 -1.94 -3.39 103.07 93.18 1x4x h GLY 50 Ca 0.61 -0.36 -0.50 0.00 0.00 0.00 0.00 47.33 47.08 1x4x h GLY 50 CO -0.03 0.22 -0.79 -0.56 0.00 0.00 0.00 176.54 175.38 1x4x s SER 51 N -5.98 2.08 0.04 0.19 0.01 0.11 -5.13 113.70 105.02 1x4x s SER 51 Ca -0.11 -0.29 -0.01 0.00 1.31 0.00 0.00 55.95 56.85 1x4x s SER 51 Cb 0.20 -0.69 -0.03 0.00 0.21 0.00 0.00 66.02 65.71 1x4x s SER 51 CO 0.79 -0.16 -0.03 -0.04 0.41 0.00 0.00 173.24 174.21 1x4x s MET 52 N 1.81 0.54 0.14 12.44 -1.94 -1.26 -4.25 119.30 126.77 1x4x s MET 52 Ca 0.04 -1.07 -0.05 0.00 -1.71 0.00 0.00 55.69 52.90 1x4x s MET 52 Cb -0.13 0.19 -0.02 0.00 2.01 0.00 0.00 34.83 36.87 1x4x s MET 52 CO -0.07 -0.10 0.16 1.14 -0.01 0.00 0.00 175.02 176.14 1x4x s GLN 53 N -3.34 1.00 0.31 2.03 -2.07 -1.26 -4.97 119.66 111.36 1x4x s GLN 53 Ca 0.02 -1.28 -0.29 0.00 -1.82 0.00 0.00 55.36 51.98 1x4x s GLN 53 Cb 0.04 0.30 -0.12 0.00 -1.09 0.00 0.00 33.01 32.14 1x4x s GLN 53 CO -0.08 -0.32 1.45 -0.89 -1.32 0.00 0.00 175.29 174.13 1x4x n ILE 54 N -0.13 1.48 0.00 3.63 2.08 -1.26 -2.20 119.36 122.96 1x4x n ILE 54 Ca -0.07 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 62.86 1x4x n ILE 54 Cb 0.63 -1.76 0.00 0.00 -0.75 0.00 0.00 39.64 37.76 1x4x n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x4x s TYR 56 N -1.66 -0.00 -0.05 0.00 6.14 -1.07 -5.02 117.35 115.68 1x4x s TYR 56 Ca 0.00 0.04 -0.01 0.00 0.64 0.00 0.00 57.07 57.74 1x4x s TYR 56 Cb 0.00 -0.04 0.03 0.00 0.42 0.00 0.00 41.96 42.37 1x4x s TYR 56 CO 0.00 -0.02 0.01 0.00 0.64 0.00 0.00 175.55 176.18 1x4x n GLY 58 N 4.80 2.26 0.25 0.00 0.00 -1.03 -4.93 105.19 106.53 1x4x n GLY 58 Ca -0.13 -1.16 0.16 0.00 0.00 0.00 0.00 46.02 44.89 1x4x n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4x h PRO 59 N 0.00 0.00 -6.26 1.61 0.13 -1.88 -2.62 132.00 122.97 1x4x h PRO 59 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1x4x h PRO 59 Cb 0.00 0.00 0.23 0.00 0.13 0.00 0.00 31.00 31.36 1x4x h PRO 59 CO 0.00 0.00 -1.48 0.41 -0.23 0.00 0.00 178.00 176.70 1x4x n GLY 60 N -0.01 -3.72 0.42 1.56 0.00 -1.26 -4.93 105.19 97.25 1x4x n GLY 60 Ca 0.01 -0.75 0.06 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 1.87 1.54 -3.64 0.99 4.77 -1.26 -4.93 117.00 116.34 1x4x n LEU 61 Ca 0.01 -2.45 -0.07 0.00 -0.03 0.00 0.00 56.01 53.47 1x4x n LEU 61 Cb 0.56 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1x4x n LEU 61 CO 0.52 0.65 0.39 -0.94 -1.33 0.00 0.00 177.39 176.67 1x4x s SER 62 N -2.26 -0.89 -0.05 -1.43 1.04 -1.26 -3.82 113.70 105.03 1x4x s SER 62 Ca 0.23 1.44 -0.04 0.00 0.48 0.00 0.00 55.95 58.06 1x4x s SER 62 Cb 0.22 1.38 0.02 0.00 0.10 0.00 0.00 66.02 67.73 1x4x s SER 62 CO -0.01 -0.23 0.14 -0.47 0.98 0.00 0.00 173.24 173.65 1x4x s TYR 63 N 1.48 -0.15 -0.25 5.02 5.04 -1.20 -5.07 117.35 122.22 1x4x s TYR 63 Ca -0.09 0.39 -0.08 0.00 -2.44 0.00 0.00 57.07 54.85 1x4x s TYR 63 Cb -0.05 0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.25 1x4x s TYR 63 CO -0.18 -0.09 0.10 -2.00 -1.34 0.00 0.00 175.55 172.04 1x4x s GLU 64 N 0.31 3.76 -0.05 4.97 2.12 -1.26 -2.39 118.70 126.17 1x4x s GLU 64 Ca -0.02 -0.42 -0.06 0.00 0.36 0.00 0.00 54.97 54.82 1x4x s GLU 64 Cb -0.03 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1x4x s GLU 64 CO -0.01 -0.15 0.20 0.42 -0.54 0.00 0.00 175.26 175.18 1x4x s ILE 65 N 1.55 5.40 0.29 -3.70 1.01 0.05 -5.02 121.20 120.79 1x4x s ILE 65 Ca 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.86 1x4x s ILE 65 Cb -0.15 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1x4x s ILE 65 CO 0.05 0.48 0.34 -0.54 0.00 0.00 0.00 174.94 175.27 1x4x s LYS 66 N -1.44 1.62 -0.32 2.79 1.02 -1.26 -1.21 119.74 120.95 1x4x s LYS 66 Ca 0.22 -1.70 -0.01 0.00 0.02 0.00 0.00 55.97 54.50 1x4x s LYS 66 Cb -0.13 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 1x4x s LYS 66 CO 0.11 -0.63 0.09 0.41 -0.92 0.00 0.00 175.35 174.42 1x4x n GLY 67 N -0.47 0.38 4.01 -3.33 0.00 -0.97 -4.99 105.19 99.83 1x4x n GLY 67 Ca 0.02 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.57 3.40 -0.02 0.99 1.43 -1.13 -5.07 118.68 116.71 1x4x s LEU 68 Ca 0.04 -0.63 -0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1x4x s LEU 68 Cb -0.02 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1x4x s LEU 68 CO 0.05 -1.00 0.04 -0.44 0.23 0.00 0.00 176.35 175.23 1x4x s SER 69 N -4.47 5.39 0.62 2.29 0.01 -1.26 -4.33 113.70 111.95 1x4x s SER 69 Ca 0.57 0.09 -0.17 0.00 1.31 0.00 0.00 55.95 57.76 1x4x s SER 69 Cb -0.08 -1.49 -0.02 0.00 0.21 0.00 0.00 66.02 64.64 1x4x s SER 69 CO 0.35 0.30 1.12 -2.16 0.41 0.00 0.00 173.24 173.26 1x4x s PRO 70 N -1.49 3.00 -1.34 12.44 0.04 -1.23 -3.78 135.00 142.65 1x4x s PRO 70 Ca 0.19 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.64 1x4x s PRO 70 Cb -0.12 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1x4x s PRO 70 CO 0.10 -1.11 0.51 0.00 0.04 0.00 0.00 177.00 176.54 1x4x n ALA 71 N -2.02 -2.17 -2.85 8.56 0.00 -0.76 -4.86 120.51 116.42 1x4x n ALA 71 Ca 0.11 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 1x4x n ALA 71 Cb 0.52 -2.13 -0.14 0.00 0.00 0.00 0.00 19.45 17.70 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 -3.83 0.09 0.40 0.00 2.01 -1.24 -4.91 115.64 108.15 1x4x s THR 72 Ca 0.14 -0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.83 1x4x s THR 72 Cb -0.05 -0.09 -0.10 0.00 0.01 0.00 0.00 72.50 72.27 1x4x s THR 72 CO 0.89 0.01 1.00 -0.89 -0.69 0.00 0.00 174.62 174.93 1x4x s THR 73 N -0.07 4.02 0.07 -0.82 2.01 -1.26 -1.93 115.64 117.66 1x4x s THR 73 Ca -0.00 1.47 -0.06 0.00 0.31 0.00 0.00 61.69 63.41 1x4x s THR 73 Cb -0.01 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 1x4x s THR 73 CO -0.00 -0.07 0.11 -0.31 -0.69 0.00 0.00 174.62 173.66 1x4x s TYR 74 N -1.81 0.28 0.01 4.92 2.02 0.13 -4.59 117.35 118.30 1x4x s TYR 74 Ca 0.58 -0.74 -0.02 0.00 -0.37 0.00 0.00 57.07 56.51 1x4x s TYR 74 Cb -0.17 -0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.21 1x4x s TYR 74 CO 0.22 -0.48 0.03 0.71 -1.57 0.00 0.00 175.55 174.46 1x4x s TYR 75 N -3.84 0.13 -0.07 2.71 1.51 -1.01 -0.84 117.35 115.95 1x4x s TYR 75 Ca 0.05 -0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 55.74 1x4x s TYR 75 Cb 0.06 -0.11 0.02 0.00 -0.11 0.00 0.00 41.96 41.82 1x4x s TYR 75 CO -0.10 -0.18 0.23 0.00 -1.11 0.00 0.00 175.55 174.39 1x4x s ARG 77 N -0.30 0.04 0.04 0.00 1.70 -0.96 -2.33 118.95 117.14 1x4x s ARG 77 Ca -0.04 -0.05 0.06 0.00 -0.47 0.00 0.00 55.73 55.23 1x4x s ARG 77 Cb -0.03 -0.01 -0.02 0.00 -0.57 0.00 0.00 34.95 34.31 1x4x s ARG 77 CO 0.01 0.00 -0.17 0.54 -1.08 0.00 0.00 175.30 174.60 1x4x s VAL 78 N -0.11 1.40 0.12 4.99 0.11 -1.26 -2.05 120.40 123.59 1x4x s VAL 78 Ca -0.01 -1.09 -0.02 0.00 -2.93 0.00 0.00 61.98 57.94 1x4x s VAL 78 Cb -0.01 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 1x4x s VAL 78 CO -0.00 0.12 0.07 0.00 -3.33 0.00 0.00 175.10 171.96 1x4x s GLN 79 N -1.12 0.90 -0.22 1.54 -2.07 -1.24 -0.96 119.66 116.50 1x4x s GLN 79 Ca 0.05 -1.38 -0.05 0.00 -1.82 0.00 0.00 55.36 52.16 1x4x s GLN 79 Cb -0.08 0.25 -0.02 0.00 -1.09 0.00 0.00 33.01 32.07 1x4x s GLN 79 CO 0.01 -0.25 0.00 0.00 -1.32 0.00 0.00 175.29 173.73 1x4x s ALA 80 N -4.02 2.99 -0.01 2.60 0.00 -1.26 -3.69 121.76 118.36 1x4x s ALA 80 Ca 0.21 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 1x4x s ALA 80 Cb 0.07 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 1x4x s ALA 80 CO -0.00 -0.29 0.30 -0.51 0.00 0.00 0.00 175.76 175.25 1x4x s LEU 81 N 1.25 4.40 0.00 0.00 1.02 -0.94 -0.38 118.68 124.03 1x4x s LEU 81 Ca 0.04 0.68 0.02 0.00 0.02 0.00 0.00 54.13 54.88 1x4x s LEU 81 Cb -0.15 -2.56 -0.01 0.00 0.02 0.00 0.00 46.19 43.50 1x4x s LEU 81 CO 0.01 0.30 0.06 -1.54 0.02 0.00 0.00 176.35 175.20 1x4x n SER 82 N 1.47 1.43 -0.28 2.29 3.41 0.04 0.41 113.62 122.39 1x4x n SER 82 Ca -0.13 -2.16 0.12 0.00 -0.26 0.00 0.00 58.87 56.43 1x4x n SER 82 Cb 0.53 0.48 0.24 0.00 -0.26 0.00 0.00 64.21 65.20 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 -0.53 0.00 0.21 -3.33 0.24 -1.26 -3.95 118.33 109.71 1x4x n VAL 83 Ca -0.05 -0.15 0.02 0.00 -2.04 0.00 0.00 64.34 62.13 1x4x n VAL 83 Cb 0.33 0.65 -0.01 0.00 -1.47 0.00 0.00 33.84 33.34 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 -0.58 0.00 -3.11 3.34 3.14 -1.26 -5.10 118.33 114.76 1x4x n VAL 84 Ca 0.10 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 1x4x n VAL 84 Cb 0.38 1.04 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 0.78 -1.40 2.95 7.55 0.00 -1.25 -4.48 105.19 109.33 1x4x n GLY 85 Ca 0.02 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.11 1.26 0.65 4.61 0.00 -1.26 -0.78 121.76 125.13 1x4x s ALA 86 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 1x4x s ALA 86 Cb 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 1x4x s ALA 86 CO 0.00 -0.20 1.17 0.20 0.00 0.00 0.00 175.76 176.92 1x4x s GLY 87 N 1.29 2.43 0.43 0.00 0.00 0.49 -4.98 107.32 106.97 1x4x s GLY 87 Ca -0.03 0.80 -0.24 0.00 0.00 0.00 0.00 44.72 45.25 1x4x s GLY 87 CO -0.03 1.18 1.18 2.56 0.00 0.00 0.00 173.10 177.99 1x4x s PRO 88 N -3.74 3.90 0.30 2.90 0.04 -1.26 -4.38 135.00 132.76 1x4x s PRO 88 Ca 0.73 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 63.30 1x4x s PRO 88 Cb -0.26 -2.55 -0.11 0.00 0.04 0.00 0.00 34.50 31.61 1x4x s PRO 88 CO 0.39 -0.45 1.59 -0.06 0.04 0.00 0.00 177.00 178.51 1x4x s PHE 89 N -1.46 2.72 1.36 0.56 0.08 -1.26 -3.78 117.98 116.19 1x4x s PHE 89 Ca 0.60 0.80 -0.20 0.00 0.12 0.00 0.00 56.93 58.25 1x4x s PHE 89 Cb -0.30 -4.08 0.35 0.00 -0.57 0.00 0.00 43.02 38.41 1x4x s PHE 89 CO 0.38 -3.60 0.95 -1.54 -0.10 0.00 0.00 175.22 171.30 1x4x s SER 90 N 0.45 -0.56 -0.17 1.36 1.04 -0.13 -4.81 113.70 110.88 1x4x s SER 90 Ca 0.63 1.10 -0.29 0.00 0.48 0.00 0.00 55.95 57.87 1x4x s SER 90 Cb -0.48 -1.63 -0.05 0.00 0.10 0.00 0.00 66.02 63.96 1x4x s SER 90 CO 0.49 -5.09 2.02 -1.61 0.98 0.00 0.00 173.24 170.03 1x4x s GLU 91 N -4.82 3.50 -0.29 4.02 2.02 -1.26 -4.73 118.70 117.15 1x4x s GLU 91 Ca 0.69 2.05 -0.42 0.00 0.02 0.00 0.00 54.97 57.30 1x4x s GLU 91 Cb -0.18 -4.25 -0.18 0.00 0.10 0.00 0.00 34.13 29.62 1x4x s GLU 91 CO 0.61 -1.67 1.57 0.28 0.02 0.00 0.00 175.26 176.06 1x4x n VAL 92 N 6.97 0.13 -3.37 2.63 0.31 -1.26 -4.56 118.33 119.17 1x4x n VAL 92 Ca 0.25 -0.02 -0.45 0.00 -0.01 0.00 0.00 64.34 64.11 1x4x n VAL 92 Cb 0.44 -0.78 -0.06 0.00 -0.91 0.00 0.00 33.84 32.53 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 2.60 5.08 0.32 2.52 1.01 -0.98 -4.96 120.40 125.98 1x4x s VAL 93 Ca 0.98 -1.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 1x4x s VAL 93 Cb -1.24 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 30.86 1x4x s VAL 93 CO 0.69 -0.75 0.88 0.00 0.00 0.00 0.00 175.10 175.91 1x4x s ALA 94 N 1.58 3.24 0.09 5.51 0.00 -1.26 -3.09 121.76 127.82 1x4x s ALA 94 Ca 0.04 0.38 -0.13 0.00 0.00 0.00 0.00 51.96 52.24 1x4x s ALA 94 Cb -0.28 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1x4x s ALA 94 CO 0.04 0.22 0.30 0.00 0.00 0.00 0.00 175.76 176.31 1x4x s VAL 96 N -3.42 0.79 0.49 0.00 1.01 -1.26 0.20 120.40 118.21 1x4x s VAL 96 Ca 0.01 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 1x4x s VAL 96 Cb 0.02 -0.82 -0.08 0.00 0.00 0.00 0.00 36.38 35.50 1x4x s VAL 96 CO -0.09 0.31 1.07 0.42 0.00 0.00 0.00 175.10 176.81 1x4x s THR 97 N 1.42 3.56 0.58 3.92 -4.23 -0.81 -4.90 115.64 115.18 1x4x s THR 97 Ca -0.02 1.01 -0.18 0.00 -1.18 0.00 0.00 61.69 61.32 1x4x s THR 97 Cb -0.13 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 1x4x s THR 97 CO -0.04 -0.17 1.12 -2.16 -0.54 0.00 0.00 174.62 172.83 1x4x s PRO 98 N -3.13 3.18 0.28 3.99 0.04 -1.26 -1.83 135.00 136.27 1x4x s PRO 98 Ca 0.68 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.96 1x4x s PRO 98 Cb -0.20 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 1x4x s PRO 98 CO 0.24 -0.97 1.25 -1.25 0.04 0.00 0.00 177.00 176.30 1x4x s PRO 99 N -3.55 4.45 -0.12 0.56 0.04 -1.26 -1.82 135.00 133.30 1x4x s PRO 99 Ca 0.71 2.06 -0.07 0.00 0.04 0.00 0.00 61.00 63.73 1x4x s PRO 99 Cb -0.23 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 1x4x s PRO 99 CO 0.32 -0.09 -0.17 -1.13 0.04 0.00 0.00 177.00 175.97 1x4x n SER 100 N 1.36 1.03 -4.64 6.66 3.41 -1.26 -4.90 113.62 115.29 1x4x n SER 100 Ca 0.01 0.17 -0.40 0.00 -0.26 0.00 0.00 58.87 58.40 1x4x n SER 100 Cb 0.43 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 1x4x n SER 100 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4x s SER 101 N -6.16 6.47 0.00 4.04 0.01 -1.26 -4.73 113.70 112.08 1x4x s SER 101 Ca -0.18 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.65 1x4x s SER 101 Cb 0.06 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1x4x s SER 101 CO 0.23 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1x4x n GLY 102 N 4.20 1.38 3.56 3.44 0.00 -1.26 -5.00 105.19 111.51 1x4x n GLY 102 Ca -0.05 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 2.57 -0.17 1.61 0.04 -1.26 -4.95 135.00 132.84 1x4x s PRO 103 Ca 0.00 -0.17 -0.29 0.00 0.04 0.00 0.00 61.00 60.58 1x4x s PRO 103 Cb 0.00 -4.97 -0.00 0.00 0.04 0.00 0.00 34.50 29.57 1x4x s PRO 103 CO 0.00 -3.28 1.07 -1.12 0.04 0.00 0.00 177.00 173.71 1x4x s SER 104 N 8.03 7.11 0.38 6.66 0.01 -1.26 -4.89 113.70 129.74 1x4x s SER 104 Ca 0.70 1.50 -0.16 0.00 1.31 0.00 0.00 55.95 59.29 1x4x s SER 104 Cb -0.07 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.67 1x4x s SER 104 CO 0.02 -0.62 0.81 -0.94 0.41 0.00 0.00 173.24 172.92 1x4x s SER 105 N 1.30 0.01 0.00 2.44 1.04 -1.26 -5.24 113.70 111.99 1x4x s SER 105 Ca 0.48 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1x4x s SER 105 Cb -0.18 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1x4x s SER 105 CO 0.12 -1.66 0.14 0.61 0.98 0.00 0.00 173.24 173.43