#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9x n SER 2 N 0.00 -7.78 -0.13 6.12 2.88 -1.26 -4.96 113.62 108.49 1y9x n SER 2 Ca 0.00 1.09 0.09 0.00 -1.33 0.00 0.00 58.87 58.72 1y9x n SER 2 Cb 0.00 -4.81 0.13 0.00 -0.75 0.00 0.00 64.21 58.78 1y9x n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1y9x n SER 3 N 0.55 2.42 0.00 -3.46 7.64 -1.26 -5.06 113.62 114.45 1y9x n SER 3 Ca 0.02 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.97 1y9x n SER 3 Cb 0.17 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1y9x n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y9x n GLY 4 N -1.23 0.20 3.60 0.23 0.00 -1.26 -5.07 105.19 101.65 1y9x n GLY 4 Ca 0.14 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1y9x n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y9x s THR 5 N -1.65 4.74 0.45 2.61 2.01 -1.26 -4.94 115.64 117.60 1y9x s THR 5 Ca 0.00 1.04 0.15 0.00 0.31 0.00 0.00 61.69 63.19 1y9x s THR 5 Cb 0.00 -4.20 0.33 0.00 0.01 0.00 0.00 72.50 68.64 1y9x s THR 5 CO 0.00 -0.37 1.99 -0.65 -0.69 0.00 0.00 174.62 174.90 1y9x h PRO 6 N 8.33 0.35 -2.30 4.92 0.11 -2.03 -3.37 132.00 138.00 1y9x h PRO 6 Ca -0.24 -0.02 -0.36 0.00 0.11 0.00 0.00 66.00 65.49 1y9x h PRO 6 Cb 1.09 -0.08 -0.35 0.00 0.11 0.00 0.00 31.00 31.78 1y9x h PRO 6 CO 0.91 0.23 -0.66 0.99 -0.21 0.00 0.00 178.00 179.26 1y9x s THR 7 N -5.34 -0.34 -0.28 -1.15 2.01 -1.26 -5.12 115.64 104.15 1y9x s THR 7 Ca -0.07 -0.47 -0.21 0.00 0.31 0.00 0.00 61.69 61.24 1y9x s THR 7 Cb 0.19 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 1y9x s THR 7 CO 0.74 -0.47 0.68 -2.16 -0.69 0.00 0.00 174.62 172.72 1y9x s PRO 8 N 2.32 4.01 -0.50 4.92 0.04 -1.26 -5.03 135.00 139.49 1y9x s PRO 8 Ca 0.09 0.50 -0.17 0.00 0.04 0.00 0.00 61.00 61.45 1y9x s PRO 8 Cb -0.14 -3.69 0.07 0.00 0.04 0.00 0.00 34.50 30.77 1y9x s PRO 8 CO -0.30 -0.53 0.51 -1.12 0.04 0.00 0.00 177.00 175.60 1y9x s SER 9 N 1.55 6.18 -0.00 6.66 0.01 -1.26 -4.81 113.70 122.03 1y9x s SER 9 Ca 0.28 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1y9x s SER 9 Cb -0.15 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.85 1y9x s SER 9 CO 0.10 -0.79 0.92 -0.46 0.41 0.00 0.00 173.24 173.42 1y9x n ASN 10 N 5.66 1.65 -4.68 2.44 0.23 -1.26 -5.03 115.26 114.27 1y9x n ASN 10 Ca -0.10 -1.85 -0.35 0.00 -0.53 0.00 0.00 54.58 51.75 1y9x n ASN 10 Cb 0.44 -0.01 -0.09 0.00 -2.08 0.00 0.00 39.78 38.04 1y9x n ASN 10 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1y9x s VAL 11 N -0.86 5.02 0.01 3.53 -7.23 -1.25 -1.09 120.40 118.53 1y9x s VAL 11 Ca 0.01 0.05 0.07 0.00 -1.81 0.00 0.00 61.98 60.29 1y9x s VAL 11 Cb 0.01 -3.26 -0.02 0.00 0.56 0.00 0.00 36.38 33.66 1y9x s VAL 11 CO 0.00 0.47 -0.21 0.68 -0.31 0.00 0.00 175.10 175.73 1y9x s VAL 12 N 0.25 1.70 -0.18 1.32 -7.23 -0.90 -5.02 120.40 110.33 1y9x s VAL 12 Ca 0.06 -1.07 -0.07 0.00 -1.81 0.00 0.00 61.98 59.09 1y9x s VAL 12 Cb -0.12 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1y9x s VAL 12 CO -0.00 0.35 0.05 -0.22 -0.31 0.00 0.00 175.10 174.97 1y9x s LEU 13 N -0.85 3.73 -0.38 1.32 2.96 -1.26 -0.48 118.68 123.72 1y9x s LEU 13 Ca 0.08 0.04 -0.29 0.00 -0.22 0.00 0.00 54.13 53.74 1y9x s LEU 13 Cb -0.09 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1y9x s LEU 13 CO 0.01 0.16 1.20 -0.63 -1.32 0.00 0.00 176.35 175.76 1y9x s ILE 14 N 0.46 4.23 0.00 6.68 -1.09 -0.09 -4.98 121.20 126.42 1y9x s ILE 14 Ca 0.02 1.35 0.00 0.00 -2.23 0.00 0.00 60.65 59.79 1y9x s ILE 14 Cb -0.13 -4.39 0.00 0.00 -1.58 0.00 0.00 42.46 36.36 1y9x s ILE 14 CO 0.01 -0.70 0.00 0.61 -1.23 0.00 0.00 174.94 173.63 1y9x n GLY 15 N 4.47 2.76 0.00 6.18 0.00 -1.26 -4.57 105.19 112.77 1y9x n GLY 15 Ca 0.13 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 44.17 1y9x n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1y9x n LYS 16 N -0.11 0.86 -2.23 1.61 2.85 -1.26 -4.85 118.16 115.03 1y9x n LYS 16 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 1y9x n LYS 16 Cb 0.00 -1.24 -0.00 0.00 -0.65 0.00 0.00 35.03 33.13 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1y9x s LYS 17 N -2.00 3.67 0.73 -1.58 1.02 -1.26 -5.04 119.74 115.27 1y9x s LYS 17 Ca 0.20 0.64 -0.15 0.00 0.02 0.00 0.00 55.97 56.68 1y9x s LYS 17 Cb 0.09 -2.18 0.04 0.00 -0.52 0.00 0.00 37.83 35.25 1y9x s LYS 17 CO 0.15 -0.39 1.21 -1.25 -0.92 0.00 0.00 175.35 174.16 1y9x s PRO 18 N -4.75 2.16 0.28 -1.68 0.04 -1.26 -4.94 135.00 124.84 1y9x s PRO 18 Ca 0.54 1.79 0.01 0.00 0.04 0.00 0.00 61.00 63.38 1y9x s PRO 18 Cb -0.11 -1.83 0.55 0.00 0.04 0.00 0.00 34.50 33.16 1y9x s PRO 18 CO 0.46 -1.83 1.84 -0.24 0.04 0.00 0.00 177.00 177.27 1y9x h VAL 19 N -0.24 0.93 -0.48 -0.36 3.04 -1.96 -2.49 116.25 114.69 1y9x h VAL 19 Ca -0.48 -0.34 0.13 0.00 -1.01 0.00 0.00 66.70 65.00 1y9x h VAL 19 Cb 1.30 -0.16 -0.02 0.00 -2.01 0.00 0.00 31.29 30.40 1y9x h VAL 19 CO 0.50 0.18 0.34 0.00 -1.01 0.00 0.00 177.57 177.58 1y9x h MET 20 N 1.00 0.06 -0.64 4.17 -0.00 -1.99 -0.14 114.93 117.40 1y9x h MET 20 Ca 0.49 -0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 60.11 1y9x h MET 20 Cb 0.48 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 32.04 1y9x h MET 20 CO -0.26 0.04 0.08 -0.97 -0.00 0.00 0.00 176.91 175.80 1y9x h ASN 21 N 0.06 1.02 0.65 -0.10 -1.24 -1.82 -1.92 115.58 112.24 1y9x h ASN 21 Ca 0.23 -0.25 -0.27 0.00 0.71 0.00 0.00 56.30 56.71 1y9x h ASN 21 Cb 0.82 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.60 1y9x h ASN 21 CO -0.02 1.03 -1.27 1.88 -1.29 0.00 0.00 177.43 177.77 1y9x h TYR 22 N 0.99 0.41 -0.04 0.67 0.05 -1.19 -2.53 116.97 115.33 1y9x h TYR 22 Ca 0.19 -0.30 0.01 0.00 0.05 0.00 0.00 58.73 58.68 1y9x h TYR 22 Cb 0.46 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 1y9x h TYR 22 CO 0.03 1.25 -0.01 0.28 -1.05 0.00 0.00 178.16 178.67 1y9x h VAL 23 N 0.06 0.96 -0.26 -2.88 2.07 -1.21 -0.44 116.25 114.55 1y9x h VAL 23 Ca -0.14 -0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1y9x h VAL 23 Cb 1.95 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1y9x h VAL 23 CO 0.18 0.00 -0.24 -0.07 0.02 0.00 0.00 177.57 177.47 1y9x h LEU 24 N 0.00 0.49 0.05 2.57 3.38 -1.40 -1.53 115.31 118.87 1y9x h LEU 24 Ca 0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1y9x h LEU 24 Cb 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1y9x h LEU 24 CO -0.04 0.73 -0.02 0.00 0.09 0.00 0.00 178.44 179.20 1y9x h ALA 25 N 1.31 -0.06 -0.48 1.53 0.00 -1.13 -0.95 119.26 119.48 1y9x h ALA 25 Ca 0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1y9x h ALA 25 Cb 0.65 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1y9x h ALA 25 CO 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 179.25 178.88 1y9x h ALA 26 N 0.63 1.09 -0.65 0.00 0.00 -0.99 -2.05 119.26 117.29 1y9x h ALA 26 Ca -0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1y9x h ALA 26 Cb 0.28 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1y9x h ALA 26 CO 0.01 0.57 0.19 1.25 0.00 0.00 0.00 179.25 181.27 1y9x h LEU 27 N 0.74 0.97 -0.97 0.00 6.46 -1.21 -2.39 115.31 118.91 1y9x h LEU 27 Ca 0.14 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 1y9x h LEU 27 Cb 0.46 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1y9x h LEU 27 CO 0.02 0.93 0.31 0.74 -0.62 0.00 0.00 178.44 179.83 1y9x h THR 28 N 0.96 1.24 -0.63 1.05 2.02 -0.73 -2.76 112.91 114.04 1y9x h THR 28 Ca 0.21 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 1y9x h THR 28 Cb 0.32 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1y9x h THR 28 CO -0.00 0.29 0.15 -0.07 0.37 0.00 0.00 175.52 176.26 1y9x h LEU 29 N 1.04 0.94 -0.21 2.58 3.38 -0.94 -0.32 115.31 121.77 1y9x h LEU 29 Ca 0.25 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1y9x h LEU 29 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1y9x h LEU 29 CO -0.03 0.91 0.05 -0.07 0.09 0.00 0.00 178.44 179.40 1y9x h LEU 30 N 0.95 0.04 -0.03 1.67 3.38 -1.16 0.14 115.31 120.31 1y9x h LEU 30 Ca 0.20 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1y9x h LEU 30 Cb 0.34 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1y9x h LEU 30 CO 0.00 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.17 1y9x n ASN 31 N -5.07 0.48 0.13 -0.43 4.13 -1.10 -2.60 115.26 110.80 1y9x n ASN 31 Ca -0.02 0.55 0.01 0.00 1.68 0.00 0.00 54.58 56.79 1y9x n ASN 31 Cb 0.08 -0.68 0.00 0.00 -1.54 0.00 0.00 39.78 37.65 1y9x n ASN 31 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 1y9x h GLN 32 N 0.00 0.00 0.00 3.52 4.15 -0.30 -3.47 115.11 119.01 1y9x h GLN 32 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1y9x h GLN 32 Cb 0.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1y9x h GLN 32 CO 0.00 0.58 0.00 0.41 -1.93 0.00 0.00 178.83 177.89 1y9x n GLY 33 N 1.24 0.78 3.36 2.39 0.00 -0.69 -5.07 105.19 107.20 1y9x n GLY 33 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 1y9x n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y9x s VAL 34 N -0.30 5.25 -0.92 1.61 1.01 0.41 -4.86 120.40 122.61 1y9x s VAL 34 Ca 0.00 -1.91 0.06 0.00 0.00 0.00 0.00 61.98 60.13 1y9x s VAL 34 Cb 0.00 -4.52 0.31 0.00 0.00 0.00 0.00 36.38 32.17 1y9x s VAL 34 CO 0.00 -1.12 1.02 -1.54 0.00 0.00 0.00 175.10 173.46 1y9x n SER 35 N 5.06 2.62 -3.26 3.32 3.41 -1.26 -2.99 113.62 120.52 1y9x n SER 35 Ca 0.08 -2.30 -0.02 0.00 -0.26 0.00 0.00 58.87 56.37 1y9x n SER 35 Cb 0.46 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 1y9x n SER 35 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1y9x s GLU 36 N -1.67 0.46 0.17 4.33 2.12 -1.26 0.30 118.70 123.15 1y9x s GLU 36 Ca 0.21 0.79 0.05 0.00 0.36 0.00 0.00 54.97 56.38 1y9x s GLU 36 Cb 0.15 0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.56 1y9x s GLU 36 CO 0.07 -0.62 -0.10 0.96 -0.54 0.00 0.00 175.26 175.03 1y9x s ILE 37 N 2.71 1.29 -0.13 -3.70 -0.00 -0.98 -4.94 121.20 115.44 1y9x s ILE 37 Ca 0.16 -2.09 0.01 0.00 -0.00 0.00 0.00 60.65 58.73 1y9x s ILE 37 Cb -0.15 -1.95 0.02 0.00 -0.00 0.00 0.00 42.46 40.38 1y9x s ILE 37 CO -0.18 -0.66 -0.15 -0.69 -0.00 0.00 0.00 174.94 173.25 1y9x s VAL 38 N -3.25 1.56 -0.20 8.37 1.01 -0.25 -1.99 120.40 125.65 1y9x s VAL 38 Ca 0.19 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1y9x s VAL 38 Cb 0.02 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1y9x s VAL 38 CO 0.03 0.46 0.12 -0.63 0.00 0.00 0.00 175.10 175.07 1y9x s ILE 39 N 1.22 5.25 -0.20 2.22 1.01 0.60 -2.13 121.20 129.17 1y9x s ILE 39 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 1y9x s ILE 39 Cb -0.14 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.94 1y9x s ILE 39 CO -0.06 0.43 -0.12 -0.54 0.00 0.00 0.00 174.94 174.65 1y9x s LYS 40 N 0.45 3.16 0.16 2.79 1.02 0.36 -0.64 119.74 127.04 1y9x s LYS 40 Ca 0.07 -0.75 0.08 0.00 0.02 0.00 0.00 55.97 55.39 1y9x s LYS 40 Cb -0.12 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 1y9x s LYS 40 CO -0.01 -0.22 -0.09 0.00 -0.92 0.00 0.00 175.35 174.12 1y9x s ALA 41 N 1.38 2.96 -0.04 5.17 0.00 -0.81 -0.91 121.76 129.51 1y9x s ALA 41 Ca 0.05 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.58 1y9x s ALA 41 Cb -0.14 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1y9x s ALA 41 CO -0.08 0.51 0.11 0.50 0.00 0.00 0.00 175.76 176.80 1y9x s ARG 42 N -2.67 0.11 3.65 0.00 3.00 -1.26 -1.37 118.95 120.41 1y9x s ARG 42 Ca 0.24 0.19 0.00 0.00 -1.00 0.00 0.00 55.73 55.16 1y9x s ARG 42 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 34.95 34.85 1y9x s ARG 42 CO 0.15 -0.05 0.00 0.41 0.00 0.00 0.00 175.30 175.81 1y9x n GLY 43 N 3.31 0.56 1.05 8.12 0.00 -0.01 -3.50 105.19 114.71 1y9x n GLY 43 Ca -0.16 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 44.97 1y9x n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y9x n ARG 44 N 7.51 2.32 -0.03 1.61 1.74 -1.26 -3.97 116.66 124.59 1y9x n ARG 44 Ca 0.00 -2.04 0.13 0.00 -0.77 0.00 0.00 57.85 55.16 1y9x n ARG 44 Cb 0.00 -1.44 0.56 0.00 -1.02 0.00 0.00 32.46 30.55 1y9x n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y9x n ALA 45 N 1.16 2.58 -0.25 7.54 0.00 -1.23 -4.06 120.51 126.25 1y9x n ALA 45 Ca 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1y9x n ALA 45 Cb 0.48 -1.22 0.10 0.00 0.00 0.00 0.00 19.45 18.81 1y9x n ALA 45 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1y9x h ILE 46 N 1.52 1.02 0.00 0.00 2.04 -1.82 -1.15 117.51 119.11 1y9x h ILE 46 Ca 0.00 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1y9x h ILE 46 Cb 0.33 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1y9x h ILE 46 CO 0.00 0.15 -0.16 0.77 0.00 0.00 0.00 178.15 178.91 1y9x h SER 47 N 0.80 0.00 0.83 1.72 4.64 -1.92 -2.23 113.55 117.38 1y9x h SER 47 Ca 0.31 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.44 1y9x h SER 47 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1y9x h SER 47 CO -0.16 0.16 -0.91 0.50 -0.87 0.00 0.00 176.83 175.55 1y9x h LYS 48 N 0.00 0.05 -0.21 4.77 3.64 -1.49 -2.45 116.57 120.89 1y9x h LYS 48 Ca -0.00 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 1y9x h LYS 48 Cb 0.45 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1y9x h LYS 48 CO 0.02 0.92 -0.30 0.00 -2.27 0.00 0.00 179.45 177.82 1y9x h ALA 49 N 1.06 0.32 -0.11 5.00 0.00 -0.98 -1.61 119.26 122.94 1y9x h ALA 49 Ca -0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1y9x h ALA 49 Cb 1.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1y9x h ALA 49 CO 0.12 0.34 -0.53 -0.24 0.00 0.00 0.00 179.25 178.94 1y9x h VAL 50 N 0.25 1.35 -0.02 0.00 3.04 -1.58 -2.61 116.25 116.69 1y9x h VAL 50 Ca 0.02 -1.80 0.01 0.00 -1.01 0.00 0.00 66.70 63.92 1y9x h VAL 50 Cb 0.88 1.85 -0.01 0.00 -2.01 0.00 0.00 31.29 32.00 1y9x h VAL 50 CO 0.07 0.54 -0.03 -0.78 -1.01 0.00 0.00 177.57 176.36 1y9x h ASP 51 N 0.23 -0.09 -0.13 3.17 1.82 -1.35 -1.25 116.42 118.82 1y9x h ASP 51 Ca 0.01 0.02 0.04 0.00 -0.39 0.00 0.00 57.03 56.71 1y9x h ASP 51 Cb 1.01 0.04 -0.05 0.00 0.68 0.00 0.00 39.33 41.01 1y9x h ASP 51 CO 0.09 -0.04 -0.20 0.74 -1.61 0.00 0.00 179.24 178.21 1y9x h THR 52 N -0.05 0.49 -0.22 2.25 2.02 -1.14 -2.26 112.91 114.01 1y9x h THR 52 Ca 0.02 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.05 1y9x h THR 52 Cb 0.07 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1y9x h THR 52 CO -0.05 0.00 -0.47 -0.37 0.37 0.00 0.00 175.52 175.00 1y9x h VAL 53 N -0.26 1.31 0.00 3.16 -1.51 -1.29 -2.40 116.25 115.26 1y9x h VAL 53 Ca 0.10 -1.67 -0.06 0.00 -1.23 0.00 0.00 66.70 63.83 1y9x h VAL 53 Cb 0.40 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1y9x h VAL 53 CO -0.28 0.53 -0.31 -0.08 -1.23 0.00 0.00 177.57 176.20 1y9x h GLU 54 N 0.46 0.00 -0.05 5.19 4.57 -1.05 -1.57 114.58 122.14 1y9x h GLU 54 Ca 0.03 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1y9x h GLU 54 Cb 1.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.59 1y9x h GLU 54 CO 0.09 0.31 -0.05 0.82 -1.18 0.00 0.00 179.01 179.00 1y9x h ILE 55 N 0.00 1.37 -0.64 2.32 2.04 -1.11 -2.96 117.51 118.52 1y9x h ILE 55 Ca -0.00 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.69 1y9x h ILE 55 Cb 0.57 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 1y9x h ILE 55 CO 0.04 0.32 0.43 0.58 0.00 0.00 0.00 178.15 179.52 1y9x h VAL 56 N -0.32 1.15 -0.01 1.67 2.07 -1.08 0.31 116.25 120.05 1y9x h VAL 56 Ca 0.01 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1y9x h VAL 56 Cb 0.54 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1y9x h VAL 56 CO 0.01 0.16 0.00 -2.11 0.02 0.00 0.00 177.57 175.65 1y9x n ARG 57 N -4.44 1.14 -0.03 1.57 1.85 -0.62 -3.02 116.66 113.10 1y9x n ARG 57 Ca 0.07 -0.21 -0.06 0.00 -1.00 0.00 0.00 57.85 56.65 1y9x n ARG 57 Cb 0.05 -1.46 -0.03 0.00 -1.05 0.00 0.00 32.46 29.98 1y9x n ARG 57 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1y9x n ASN 58 N -0.72 1.76 0.15 2.89 5.15 -0.20 -2.63 115.26 121.66 1y9x n ASN 58 Ca 0.21 0.03 0.01 0.00 -0.60 0.00 0.00 54.58 54.24 1y9x n ASN 58 Cb 0.15 -0.15 0.22 0.00 -0.53 0.00 0.00 39.78 39.47 1y9x n ASN 58 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1y9x h ARG 59 N -0.14 0.00 0.00 1.20 0.11 -0.58 -3.41 114.38 111.57 1y9x h ARG 59 Ca -0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.93 1y9x h ARG 59 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1y9x h ARG 59 CO -0.07 0.54 0.00 0.34 0.10 0.00 0.00 179.97 180.88 1y9x n PHE 60 N -3.66 0.00 -3.63 4.08 7.35 -1.17 -5.03 117.46 115.40 1y9x n PHE 60 Ca -0.01 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.49 1y9x n PHE 60 Cb 0.59 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 40.26 1y9x n PHE 60 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1y9x s LEU 61 N -4.42 0.05 -0.14 -2.13 1.43 -1.25 -4.99 118.68 107.23 1y9x s LEU 61 Ca 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1y9x s LEU 61 Cb 0.00 0.09 -0.24 0.00 0.03 0.00 0.00 46.19 46.08 1y9x s LEU 61 CO 0.00 -0.28 0.26 0.00 0.23 0.00 0.00 176.35 176.56 1y9x n ALA 62 N 5.31 1.16 -0.22 4.21 0.00 -1.08 -4.34 120.51 125.54 1y9x n ALA 62 Ca -0.05 -0.79 -0.09 0.00 0.00 0.00 0.00 53.44 52.52 1y9x n ALA 62 Cb 0.50 -0.54 0.03 0.00 0.00 0.00 0.00 19.45 19.43 1y9x n ALA 62 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1y9x h ASP 63 N 0.04 1.04 -3.37 0.00 3.32 -1.94 -3.37 116.42 112.13 1y9x h ASP 63 Ca -0.44 -0.28 -0.72 0.00 0.02 0.00 0.00 57.03 55.60 1y9x h ASP 63 Cb 2.02 -0.28 -0.31 0.00 0.22 0.00 0.00 39.33 40.98 1y9x h ASP 63 CO 0.04 1.06 -0.41 -0.54 -1.72 0.00 0.00 179.24 177.68 1y9x s LYS 64 N -5.11 2.41 -0.28 3.56 1.02 -1.26 -5.01 119.74 115.06 1y9x s LYS 64 Ca -0.12 -1.82 -0.18 0.00 0.02 0.00 0.00 55.97 53.87 1y9x s LYS 64 Cb 0.14 -3.86 0.08 0.00 -0.52 0.00 0.00 37.83 33.66 1y9x s LYS 64 CO 0.85 -1.17 0.71 -1.50 -0.92 0.00 0.00 175.35 173.32 1y9x s ILE 65 N 1.24 0.00 -0.03 2.17 1.10 -1.26 -4.63 121.20 119.78 1y9x s ILE 65 Ca 0.07 0.00 0.05 0.00 -0.51 0.00 0.00 60.65 60.26 1y9x s ILE 65 Cb -0.25 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.35 1y9x s ILE 65 CO -0.02 0.00 -0.18 -1.61 -2.11 0.00 0.00 174.94 171.02 1y9x s GLU 66 N 1.36 1.74 -0.19 3.50 2.02 -1.08 -5.02 118.70 121.02 1y9x s GLU 66 Ca -0.08 -0.65 -0.11 0.00 0.02 0.00 0.00 54.97 54.16 1y9x s GLU 66 Cb -0.05 -1.56 -0.05 0.00 0.10 0.00 0.00 34.13 32.57 1y9x s GLU 66 CO -0.15 0.31 0.15 0.42 0.02 0.00 0.00 175.26 176.01 1y9x s ILE 67 N -0.14 5.40 -0.12 -1.63 1.01 -1.26 0.16 121.20 124.62 1y9x s ILE 67 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.77 1y9x s ILE 67 Cb -0.10 -3.49 -0.11 0.00 0.01 0.00 0.00 42.46 38.77 1y9x s ILE 67 CO 0.01 0.43 0.32 0.50 0.00 0.00 0.00 174.94 176.21 1y9x h LYS 68 N 6.66 0.00 -1.43 2.79 3.11 -1.47 -3.48 116.57 122.75 1y9x h LYS 68 Ca -0.41 0.00 0.12 0.00 -2.81 0.00 0.00 60.65 57.55 1y9x h LYS 68 Cb 1.15 0.00 -0.25 0.00 -1.00 0.00 0.00 32.23 32.13 1y9x h LYS 68 CO 0.76 0.42 0.63 -2.00 -2.81 0.00 0.00 179.45 176.45 1y9x s GLU 69 N -1.83 0.43 -0.09 1.90 2.12 -1.23 -5.05 118.70 114.95 1y9x s GLU 69 Ca -0.08 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.45 1y9x s GLU 69 Cb -0.01 0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.61 1y9x s GLU 69 CO 0.29 -0.12 -0.07 0.42 -0.54 0.00 0.00 175.26 175.24 1y9x s ILE 70 N -0.75 0.91 -0.02 -3.70 1.01 -1.26 -2.18 121.20 115.21 1y9x s ILE 70 Ca 0.02 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.47 1y9x s ILE 70 Cb -0.02 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 1y9x s ILE 70 CO -0.03 0.33 -0.23 -0.13 0.00 0.00 0.00 174.94 174.88 1y9x s ARG 71 N 1.36 1.86 -0.07 2.79 0.52 -0.55 -4.98 118.95 119.88 1y9x s ARG 71 Ca -0.02 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 1y9x s ARG 71 Cb -0.14 -1.79 0.02 0.00 0.52 0.00 0.00 34.95 33.56 1y9x s ARG 71 CO -0.04 0.49 -0.05 0.08 0.02 0.00 0.00 175.30 175.80 1y9x s VAL 72 N -0.53 0.71 0.00 3.52 1.01 -1.26 -0.59 120.40 123.26 1y9x s VAL 72 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1y9x s VAL 72 Cb -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1y9x s VAL 72 CO -0.01 0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1y9x n GLY 73 N 4.44 1.78 3.33 4.51 0.00 -0.82 -5.00 105.19 113.44 1y9x n GLY 73 Ca -0.18 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 1y9x n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y9x s SER 74 N -0.18 3.81 0.03 1.61 0.01 -1.26 -0.03 113.70 117.69 1y9x s SER 74 Ca 0.00 -0.39 -0.14 0.00 1.31 0.00 0.00 55.95 56.73 1y9x s SER 74 Cb 0.00 -1.57 -0.06 0.00 0.21 0.00 0.00 66.02 64.60 1y9x s SER 74 CO 0.00 0.15 0.42 -1.58 0.41 0.00 0.00 173.24 172.64 1y9x s GLN 75 N 0.45 3.89 -0.26 12.44 0.74 0.16 -4.85 119.66 132.22 1y9x s GLN 75 Ca -0.11 0.37 -0.01 0.00 0.05 0.00 0.00 55.36 55.66 1y9x s GLN 75 Cb -0.16 -3.14 0.04 0.00 1.10 0.00 0.00 33.01 30.84 1y9x s GLN 75 CO 0.05 0.64 -0.06 0.08 -0.55 0.00 0.00 175.29 175.45 1y9x s VAL 76 N -1.19 2.75 0.31 1.34 1.01 -1.26 -0.64 120.40 122.72 1y9x s VAL 76 Ca 0.27 -1.21 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1y9x s VAL 76 Cb -0.16 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 1y9x s VAL 76 CO 0.15 0.10 0.08 0.68 0.00 0.00 0.00 175.10 176.11 1y9x s VAL 77 N 1.27 0.95 -0.00 2.92 -7.23 -0.13 -4.94 120.40 113.24 1y9x s VAL 77 Ca -0.02 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.05 1y9x s VAL 77 Cb -0.18 -2.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 1y9x s VAL 77 CO -0.04 0.00 0.32 0.42 -0.31 0.00 0.00 175.10 175.49 1y9x s THR 78 N -3.43 5.21 -0.23 5.32 -4.23 -1.26 0.51 115.64 117.53 1y9x s THR 78 Ca 0.36 0.44 0.21 0.00 -1.18 0.00 0.00 61.69 61.53 1y9x s THR 78 Cb 0.08 -3.60 0.24 0.00 1.34 0.00 0.00 72.50 70.56 1y9x s THR 78 CO 0.15 0.46 1.62 -1.28 -0.54 0.00 0.00 174.62 175.02 1y9x h SER 79 N 4.31 0.00 0.00 3.99 0.87 -1.09 -3.46 113.55 118.18 1y9x h SER 79 Ca -0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1y9x h SER 79 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1y9x h SER 79 CO 0.63 0.19 0.00 0.00 -0.53 0.00 0.00 176.83 177.13 1y9x n GLN 80 N -3.18 0.00 0.00 2.24 10.64 -1.26 -5.08 117.38 120.74 1y9x n GLN 80 Ca 0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 1y9x n GLN 80 Cb 0.57 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.95 1y9x n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1y9x n ASP 81 N 0.00 0.69 0.00 2.61 2.03 -1.26 -4.99 116.55 115.64 1y9x n ASP 81 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1y9x n ASP 81 Cb 0.00 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.60 1y9x n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y9x n GLY 82 N 4.11 -0.35 3.57 0.27 0.00 -1.26 -4.63 105.19 106.89 1y9x n GLY 82 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1y9x n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y9x s ARG 83 N -2.24 2.65 0.27 1.61 0.52 -1.26 -4.94 118.95 115.56 1y9x s ARG 83 Ca 0.09 1.17 -0.29 0.00 -0.52 0.00 0.00 55.73 56.18 1y9x s ARG 83 Cb 0.05 -4.41 -0.09 0.00 0.52 0.00 0.00 34.95 31.02 1y9x s ARG 83 CO 0.09 -2.67 1.00 -0.65 0.02 0.00 0.00 175.30 173.10 1y9x s GLN 84 N 7.08 4.73 -0.09 3.54 -1.52 -1.26 -0.43 119.66 131.71 1y9x s GLN 84 Ca 0.83 1.59 -0.00 0.00 -1.95 0.00 0.00 55.36 55.83 1y9x s GLN 84 Cb -0.18 -3.18 0.02 0.00 -0.22 0.00 0.00 33.01 29.46 1y9x s GLN 84 CO 0.26 0.36 -0.06 -1.12 -0.25 0.00 0.00 175.29 174.48 1y9x s SER 85 N -1.12 1.78 -0.27 5.90 0.01 0.18 -4.87 113.70 115.32 1y9x s SER 85 Ca 0.44 -0.22 -0.09 0.00 1.31 0.00 0.00 55.95 57.38 1y9x s SER 85 Cb -0.27 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.23 1y9x s SER 85 CO 0.35 -0.10 0.14 -0.13 0.41 0.00 0.00 173.24 173.90 1y9x s ARG 86 N 1.49 3.82 -0.01 12.44 0.52 -1.26 -0.96 118.95 134.99 1y9x s ARG 86 Ca -0.01 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.83 1y9x s ARG 86 Cb -0.13 -3.51 -0.00 0.00 0.52 0.00 0.00 34.95 31.83 1y9x s ARG 86 CO -0.04 -0.18 -0.07 0.08 0.02 0.00 0.00 175.30 175.11 1y9x s VAL 87 N 1.69 0.53 0.22 3.52 1.01 0.19 -4.90 120.40 122.66 1y9x s VAL 87 Ca 0.07 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 1y9x s VAL 87 Cb -0.16 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.68 1y9x s VAL 87 CO 0.08 0.16 1.19 -0.44 0.00 0.00 0.00 175.10 176.09 1y9x s SER 88 N -0.08 7.09 0.32 3.32 0.01 -1.26 0.37 113.70 123.48 1y9x s SER 88 Ca 0.02 2.30 0.03 0.00 1.31 0.00 0.00 55.95 59.61 1y9x s SER 88 Cb -0.04 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 1y9x s SER 88 CO -0.00 -0.34 0.07 0.42 0.41 0.00 0.00 173.24 173.79 1y9x s THR 89 N -0.41 1.05 -0.12 1.44 -4.23 0.96 -0.83 115.64 113.49 1y9x s THR 89 Ca 0.51 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.97 1y9x s THR 89 Cb -0.33 -2.73 0.06 0.00 1.34 0.00 0.00 72.50 70.83 1y9x s THR 89 CO 0.39 0.00 0.26 -0.51 -0.54 0.00 0.00 174.62 174.23 1y9x s ILE 90 N -3.36 -0.28 -0.35 2.99 2.07 -0.47 -1.94 121.20 119.87 1y9x s ILE 90 Ca 0.36 0.23 -0.12 0.00 -1.41 0.00 0.00 60.65 59.71 1y9x s ILE 90 Cb 0.08 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.24 1y9x s ILE 90 CO 0.15 0.10 0.22 -1.61 -1.91 0.00 0.00 174.94 171.89 1y9x s GLU 91 N 1.99 3.23 -0.27 3.50 8.01 0.24 -1.92 118.70 133.47 1y9x s GLU 91 Ca -0.03 -0.82 -0.05 0.00 0.01 0.00 0.00 54.97 54.09 1y9x s GLU 91 Cb -0.11 -3.75 0.01 0.00 -4.31 0.00 0.00 34.13 25.97 1y9x s GLU 91 CO -0.09 -0.54 0.02 0.42 0.01 0.00 0.00 175.26 175.08 1y9x s ILE 92 N 1.65 3.53 -0.19 -1.63 1.01 0.18 -1.49 121.20 124.27 1y9x s ILE 92 Ca 0.05 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 1y9x s ILE 92 Cb -0.18 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.50 1y9x s ILE 92 CO 0.08 0.16 -0.11 0.00 0.00 0.00 0.00 174.94 175.07 1y9x s ALA 93 N 1.44 2.61 0.10 9.38 0.00 -0.93 -0.29 121.76 134.07 1y9x s ALA 93 Ca 0.02 -1.16 0.10 0.00 0.00 0.00 0.00 51.96 50.92 1y9x s ALA 93 Cb -0.17 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 1y9x s ALA 93 CO -0.00 -0.32 -0.25 0.96 0.00 0.00 0.00 175.76 176.15 1y9x s ILE 94 N 1.28 2.03 0.08 0.00 -4.36 -0.84 -1.15 121.20 118.24 1y9x s ILE 94 Ca 0.03 -1.57 0.08 0.00 -0.26 0.00 0.00 60.65 58.93 1y9x s ILE 94 Cb -0.14 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 1y9x s ILE 94 CO -0.06 0.12 -0.16 -0.13 0.24 0.00 0.00 174.94 174.95 1y9x s ARG 95 N -1.76 2.00 -0.03 0.37 0.52 0.12 -2.33 118.95 117.84 1y9x s ARG 95 Ca 0.11 -1.05 0.04 0.00 -0.52 0.00 0.00 55.73 54.31 1y9x s ARG 95 Cb -0.10 -2.19 -0.01 0.00 0.52 0.00 0.00 34.95 33.17 1y9x s ARG 95 CO 0.04 0.52 -0.15 0.15 0.02 0.00 0.00 175.30 175.88 1y9x s LYS 96 N -1.82 1.40 0.00 3.54 -0.14 0.15 -2.64 119.74 120.23 1y9x s LYS 96 Ca 0.17 -0.53 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 1y9x s LYS 96 Cb -0.11 -1.29 0.00 0.00 -1.68 0.00 0.00 37.83 34.76 1y9x s LYS 96 CO 0.08 0.26 0.00 0.36 -0.76 0.00 0.00 175.35 175.29