#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9x s SER 2 N 0.00 -0.38 0.00 7.83 1.04 -1.26 -5.03 113.70 115.90 1y9x s SER 2 Ca 0.00 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1y9x s SER 2 Cb 0.00 0.90 0.00 0.00 0.10 0.00 0.00 66.02 67.02 1y9x s SER 2 CO 0.00 -0.11 0.38 -1.20 0.98 0.00 0.00 173.24 173.28 1y9x n SER 3 N 2.74 0.47 0.00 7.02 7.64 -1.26 -4.98 113.62 125.25 1y9x n SER 3 Ca -0.15 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.59 1y9x n SER 3 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.07 1.37 3.83 0.23 0.00 -1.26 -5.03 105.19 104.26 1y9x n GLY 4 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1y9x n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y9x s THR 5 N -2.44 4.60 -0.63 2.61 -4.23 -1.26 -4.95 115.64 109.34 1y9x s THR 5 Ca 0.00 1.16 0.01 0.00 -1.18 0.00 0.00 61.69 61.68 1y9x s THR 5 Cb 0.00 -3.75 0.07 0.00 1.34 0.00 0.00 72.50 70.16 1y9x s THR 5 CO 0.00 0.02 0.78 -2.65 -0.54 0.00 0.00 174.62 172.23 1y9x n PRO 6 N 0.21 1.28 -3.16 3.99 -0.02 -1.26 -4.80 135.00 131.24 1y9x n PRO 6 Ca 0.01 -0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 60.79 1y9x n PRO 6 Cb 0.52 -1.41 -0.07 0.00 -0.02 0.00 0.00 33.50 32.52 1y9x n PRO 6 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1y9x s THR 7 N -0.87 4.96 0.26 3.45 -4.23 -1.26 -5.05 115.64 112.90 1y9x s THR 7 Ca 0.05 0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 60.97 1y9x s THR 7 Cb 0.04 -3.98 -0.09 0.00 1.34 0.00 0.00 72.50 69.81 1y9x s THR 7 CO 0.01 -0.16 1.14 -2.16 -0.54 0.00 0.00 174.62 172.91 1y9x s PRO 8 N 2.54 4.58 -1.07 3.99 0.04 -1.26 -4.96 135.00 138.87 1y9x s PRO 8 Ca 0.23 1.84 -0.20 0.00 0.04 0.00 0.00 61.00 62.91 1y9x s PRO 8 Cb -0.15 -3.20 0.09 0.00 0.04 0.00 0.00 34.50 31.28 1y9x s PRO 8 CO 0.12 0.11 1.42 -1.54 0.04 0.00 0.00 177.00 177.15 1y9x s SER 9 N -0.58 6.65 -0.03 6.66 1.04 -1.26 -4.63 113.70 121.54 1y9x s SER 9 Ca 0.47 -1.93 0.06 0.00 0.48 0.00 0.00 55.95 55.03 1y9x s SER 9 Cb -0.32 -2.51 0.13 0.00 0.10 0.00 0.00 66.02 63.41 1y9x s SER 9 CO 0.41 -1.26 1.08 -0.46 0.98 0.00 0.00 173.24 173.99 1y9x n ASN 10 N 7.90 2.29 -4.37 7.02 6.94 -1.26 -4.97 115.26 128.81 1y9x n ASN 10 Ca 0.34 -2.26 -0.36 0.00 -0.02 0.00 0.00 54.58 52.28 1y9x n ASN 10 Cb 0.49 -0.14 -0.13 0.00 -2.36 0.00 0.00 39.78 37.63 1y9x n ASN 10 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1y9x s VAL 11 N -1.46 3.74 -0.04 3.53 1.01 -1.26 -0.99 120.40 124.94 1y9x s VAL 11 Ca 0.12 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1y9x s VAL 11 Cb 0.09 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1y9x s VAL 11 CO 0.03 0.39 -0.19 0.54 0.00 0.00 0.00 175.10 175.88 1y9x s VAL 12 N 1.49 2.65 -0.13 2.92 0.11 -0.61 -5.01 120.40 121.83 1y9x s VAL 12 Ca 0.06 -0.88 -0.05 0.00 -2.93 0.00 0.00 61.98 58.18 1y9x s VAL 12 Cb -0.15 -2.00 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 1y9x s VAL 12 CO -0.00 0.59 0.05 -0.22 -3.33 0.00 0.00 175.10 172.19 1y9x s LEU 13 N -0.65 3.85 -0.16 2.54 2.96 -1.26 -0.98 118.68 124.98 1y9x s LEU 13 Ca 0.10 0.20 -0.26 0.00 -0.22 0.00 0.00 54.13 53.96 1y9x s LEU 13 Cb -0.11 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 1y9x s LEU 13 CO 0.00 0.32 0.84 -0.63 -1.32 0.00 0.00 176.35 175.56 1y9x s ILE 14 N -0.52 4.87 0.00 6.68 -1.09 -1.05 -4.98 121.20 125.12 1y9x s ILE 14 Ca 0.10 1.66 0.00 0.00 -2.23 0.00 0.00 60.65 60.18 1y9x s ILE 14 Cb -0.12 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 1y9x s ILE 14 CO 0.02 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.37 1y9x n GLY 15 N 3.43 6.68 0.17 6.18 0.00 -1.26 -4.77 105.19 115.62 1y9x n GLY 15 Ca 0.05 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1y9x n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y9x n LYS 16 N 0.00 0.95 -2.99 1.61 5.02 -1.26 -4.87 118.16 116.62 1y9x n LYS 16 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1y9x n LYS 16 Cb 0.00 -1.16 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1y9x s LYS 17 N -1.66 3.88 0.66 1.97 1.02 -1.26 -5.04 119.74 119.31 1y9x s LYS 17 Ca 0.00 0.56 -0.17 0.00 0.02 0.00 0.00 55.97 56.37 1y9x s LYS 17 Cb 0.00 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1y9x s LYS 17 CO 0.00 0.06 1.12 -2.30 -0.92 0.00 0.00 175.35 173.30 1y9x n PRO 18 N -0.85 0.88 -0.16 -1.68 -0.02 -1.26 -4.90 135.00 127.00 1y9x n PRO 18 Ca 0.03 0.35 0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1y9x n PRO 18 Cb 0.54 -2.35 0.42 0.00 -0.02 0.00 0.00 33.50 32.09 1y9x n PRO 18 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1y9x h VAL 19 N 0.29 0.92 -0.28 -1.45 3.04 -1.96 -2.07 116.25 114.74 1y9x h VAL 19 Ca -0.49 -0.20 0.06 0.00 -1.01 0.00 0.00 66.70 65.05 1y9x h VAL 19 Cb 1.35 0.28 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 1y9x h VAL 19 CO 0.51 0.11 0.19 0.00 -1.01 0.00 0.00 177.57 177.37 1y9x h MET 20 N 0.59 0.10 -0.18 4.17 -0.00 -1.99 -1.02 114.93 116.60 1y9x h MET 20 Ca 0.33 -0.01 -0.12 0.00 -0.00 0.00 0.00 59.70 59.91 1y9x h MET 20 Cb 0.49 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.06 1y9x h MET 20 CO -0.11 0.06 -0.38 -0.97 -0.00 0.00 0.00 176.91 175.51 1y9x h ASN 21 N 0.10 0.42 0.70 -0.10 -1.24 -1.73 -1.49 115.58 112.24 1y9x h ASN 21 Ca 0.13 -0.17 -0.24 0.00 0.71 0.00 0.00 56.30 56.72 1y9x h ASN 21 Cb 0.38 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 1y9x h ASN 21 CO -0.01 0.77 -1.10 1.88 -1.29 0.00 0.00 177.43 177.67 1y9x h TYR 22 N 0.34 0.34 -0.13 0.67 0.05 -1.33 -1.27 116.97 115.63 1y9x h TYR 22 Ca 0.03 -0.23 -0.00 0.00 0.05 0.00 0.00 58.73 58.58 1y9x h TYR 22 Cb 0.83 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 1y9x h TYR 22 CO 0.02 1.15 0.07 0.28 -1.05 0.00 0.00 178.16 178.64 1y9x h VAL 23 N 0.07 1.09 -0.65 -2.88 2.07 -1.18 -0.67 116.25 114.10 1y9x h VAL 23 Ca -0.08 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1y9x h VAL 23 Cb 1.82 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 1y9x h VAL 23 CO 0.17 0.09 0.19 -0.07 0.02 0.00 0.00 177.57 177.97 1y9x h LEU 24 N 0.12 0.94 -0.48 2.57 3.38 -1.27 -1.96 115.31 118.61 1y9x h LEU 24 Ca 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1y9x h LEU 24 Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1y9x h LEU 24 CO -0.01 0.89 0.25 0.00 0.09 0.00 0.00 178.44 179.67 1y9x h ALA 25 N 1.23 0.62 -0.82 1.53 0.00 -0.93 -0.63 119.26 120.26 1y9x h ALA 25 Ca 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1y9x h ALA 25 Cb 0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1y9x h ALA 25 CO -0.01 0.15 0.38 0.00 0.00 0.00 0.00 179.25 179.77 1y9x h ALA 26 N 1.10 1.05 -0.63 0.00 0.00 -0.82 -1.32 119.26 118.64 1y9x h ALA 26 Ca 0.17 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1y9x h ALA 26 Cb 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1y9x h ALA 26 CO -0.03 0.63 0.10 -0.07 0.00 0.00 0.00 179.25 179.89 1y9x h LEU 27 N 1.16 0.97 -1.10 0.00 3.38 -0.99 -0.73 115.31 118.01 1y9x h LEU 27 Ca 0.28 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1y9x h LEU 27 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1y9x h LEU 27 CO -0.03 0.97 -0.35 0.74 0.09 0.00 0.00 178.44 179.86 1y9x h THR 28 N 0.96 1.28 -0.32 0.22 2.02 -0.71 -0.57 112.91 115.78 1y9x h THR 28 Ca 0.19 -1.33 -0.17 0.00 0.77 0.00 0.00 66.41 65.88 1y9x h THR 28 Cb 0.42 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1y9x h THR 28 CO 0.01 0.39 -0.46 -0.07 0.37 0.00 0.00 175.52 175.77 1y9x h LEU 29 N 0.16 0.96 -0.91 2.58 3.38 -0.66 -2.50 115.31 118.33 1y9x h LEU 29 Ca 0.02 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.50 1y9x h LEU 29 Cb 0.70 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1y9x h LEU 29 CO 0.05 1.28 0.60 -0.07 0.09 0.00 0.00 178.44 180.39 1y9x h LEU 30 N 0.68 1.03 -1.98 1.67 3.38 -0.83 -0.49 115.31 118.77 1y9x h LEU 30 Ca 0.03 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1y9x h LEU 30 Cb 1.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1y9x h LEU 30 CO 0.11 0.73 0.08 -1.13 0.09 0.00 0.00 178.44 178.31 1y9x h ASN 31 N 1.21 0.02 -0.15 -0.43 -0.73 -0.88 -0.62 115.58 114.01 1y9x h ASN 31 Ca 0.34 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.51 1y9x h ASN 31 Cb -0.10 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.49 1y9x h ASN 31 CO -0.09 0.02 0.00 0.00 -0.37 0.00 0.00 177.43 176.99 1y9x n GLN 32 N -4.51 1.82 -0.32 6.67 1.13 -0.57 -4.91 117.38 116.69 1y9x n GLN 32 Ca -0.01 -1.22 0.00 0.00 -1.94 0.00 0.00 57.00 53.83 1y9x n GLN 32 Cb 0.17 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.09 1y9x n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1y9x n GLY 33 N 1.19 0.83 3.44 1.08 0.00 -0.24 -5.02 105.19 106.47 1y9x n GLY 33 Ca 0.17 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 4.47 -0.72 1.61 1.01 -0.30 -4.85 120.40 119.62 1y9x s VAL 34 Ca 0.00 -0.69 0.25 0.00 0.00 0.00 0.00 61.98 61.54 1y9x s VAL 34 Cb 0.00 -4.68 0.07 0.00 0.00 0.00 0.00 36.38 31.78 1y9x s VAL 34 CO 0.00 -1.42 1.41 -1.54 0.00 0.00 0.00 175.10 173.55 1y9x n SER 35 N 7.29 0.64 -3.88 3.32 3.41 -1.26 -3.72 113.62 119.42 1y9x n SER 35 Ca 0.01 0.12 -0.29 0.00 -0.26 0.00 0.00 58.87 58.45 1y9x n SER 35 Cb 0.46 0.05 -0.16 0.00 -0.26 0.00 0.00 64.21 64.30 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 -3.13 1.36 0.20 4.33 2.12 -1.26 -0.27 118.70 122.06 1y9x s GLU 36 Ca 0.08 -0.71 0.08 0.00 0.36 0.00 0.00 54.97 54.77 1y9x s GLU 36 Cb 0.14 -2.30 -0.05 0.00 0.26 0.00 0.00 34.13 32.19 1y9x s GLU 36 CO 0.70 -0.55 -0.15 0.96 -0.54 0.00 0.00 175.26 175.68 1y9x s ILE 37 N 1.57 1.76 -0.05 -3.70 -0.00 -1.01 -4.89 121.20 114.87 1y9x s ILE 37 Ca -0.03 -2.19 0.01 0.00 -0.00 0.00 0.00 60.65 58.44 1y9x s ILE 37 Cb -0.17 -2.03 0.02 0.00 -0.00 0.00 0.00 42.46 40.28 1y9x s ILE 37 CO -0.07 -0.57 -0.04 0.54 -0.00 0.00 0.00 174.94 174.79 1y9x s VAL 38 N -2.90 0.56 -0.24 8.37 0.11 -0.16 -2.16 120.40 124.00 1y9x s VAL 38 Ca 0.22 -0.10 -0.09 0.00 -2.93 0.00 0.00 61.98 59.07 1y9x s VAL 38 Cb -0.01 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 1y9x s VAL 38 CO 0.07 0.25 0.13 -0.63 -3.33 0.00 0.00 175.10 171.58 1y9x s ILE 39 N 1.14 5.04 -0.26 7.04 1.01 -0.19 -1.57 121.20 133.42 1y9x s ILE 39 Ca -0.07 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 1y9x s ILE 39 Cb -0.14 -3.35 0.03 0.00 0.01 0.00 0.00 42.46 39.02 1y9x s ILE 39 CO -0.01 0.35 -0.06 -0.54 0.00 0.00 0.00 174.94 174.68 1y9x s LYS 40 N 1.13 2.75 0.23 2.79 1.02 -0.15 -1.61 119.74 125.90 1y9x s LYS 40 Ca 0.06 -1.04 0.08 0.00 0.02 0.00 0.00 55.97 55.09 1y9x s LYS 40 Cb -0.14 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 1y9x s LYS 40 CO 0.05 -0.44 0.09 0.00 -0.92 0.00 0.00 175.35 174.13 1y9x s ALA 41 N 1.30 3.38 0.05 5.17 0.00 -0.98 -2.51 121.76 128.16 1y9x s ALA 41 Ca -0.01 -1.46 0.03 0.00 0.00 0.00 0.00 51.96 50.52 1y9x s ALA 41 Cb -0.17 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 1y9x s ALA 41 CO -0.04 0.32 -0.10 1.03 0.00 0.00 0.00 175.76 176.97 1y9x s ARG 42 N -3.55 0.66 7.91 0.00 0.52 -1.26 -1.65 118.95 121.58 1y9x s ARG 42 Ca 0.31 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 1y9x s ARG 42 Cb -0.08 -0.56 0.00 0.00 0.52 0.00 0.00 34.95 34.84 1y9x s ARG 42 CO 0.22 0.12 0.00 0.41 0.02 0.00 0.00 175.30 176.07 1y9x n GLY 43 N 1.57 3.59 0.56 -3.53 0.00 0.63 -1.73 105.19 106.29 1y9x n GLY 43 Ca -0.21 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 45.88 1y9x n GLY 43 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1y9x n ARG 44 N 13.41 1.75 0.00 1.61 1.85 -1.26 -4.03 116.66 129.98 1y9x n ARG 44 Ca 0.00 -1.13 0.14 0.00 -1.00 0.00 0.00 57.85 55.87 1y9x n ARG 44 Cb 0.00 -1.48 0.76 0.00 -1.05 0.00 0.00 32.46 30.69 1y9x n ARG 44 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1y9x n ALA 45 N 0.36 2.46 -0.22 2.89 0.00 -0.71 -3.50 120.51 121.79 1y9x n ALA 45 Ca 0.18 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1y9x n ALA 45 Cb 0.40 -1.47 0.41 0.00 0.00 0.00 0.00 19.45 18.80 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 0.00 0.86 -0.44 0.00 2.04 -1.74 -0.66 117.51 117.58 1y9x h ILE 46 Ca 0.00 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1y9x h ILE 46 Cb 0.19 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1y9x h ILE 46 CO 0.00 0.11 0.09 0.77 0.00 0.00 0.00 178.15 179.12 1y9x h SER 47 N 0.62 0.61 0.76 1.72 4.64 -1.90 -2.35 113.55 117.64 1y9x h SER 47 Ca 0.39 -0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 61.45 1y9x h SER 47 Cb 0.66 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1y9x h SER 47 CO -0.16 0.62 -0.76 0.11 -0.87 0.00 0.00 176.83 175.77 1y9x h LYS 48 N 0.64 0.00 -0.30 4.77 1.57 -1.38 -2.11 116.57 119.76 1y9x h LYS 48 Ca 0.14 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1y9x h LYS 48 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1y9x h LYS 48 CO -0.00 0.76 0.01 0.00 -0.57 0.00 0.00 179.45 179.66 1y9x h ALA 49 N 1.24 0.40 -0.21 3.86 0.00 -1.05 -0.23 119.26 123.27 1y9x h ALA 49 Ca -0.01 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1y9x h ALA 49 Cb 1.35 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1y9x h ALA 49 CO 0.10 0.13 -0.56 -0.24 0.00 0.00 0.00 179.25 178.69 1y9x h VAL 50 N 0.32 1.31 -0.64 0.00 3.04 -1.48 -2.81 116.25 115.98 1y9x h VAL 50 Ca 0.09 -1.79 -0.00 0.00 -1.01 0.00 0.00 66.70 63.99 1y9x h VAL 50 Cb 0.41 1.74 -0.03 0.00 -2.01 0.00 0.00 31.29 31.40 1y9x h VAL 50 CO 0.01 0.56 0.40 -0.78 -1.01 0.00 0.00 177.57 176.75 1y9x h ASP 51 N 0.49 0.76 0.05 3.17 3.58 -1.25 -0.13 116.42 123.10 1y9x h ASP 51 Ca 0.01 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.41 1y9x h ASP 51 Cb 1.12 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 1y9x h ASP 51 CO 0.11 0.59 -0.08 0.74 -2.88 0.00 0.00 179.24 177.72 1y9x h THR 52 N 0.87 0.82 -0.09 2.25 2.02 -0.96 -1.38 112.91 116.44 1y9x h THR 52 Ca 0.23 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.29 1y9x h THR 52 Cb -0.04 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1y9x h THR 52 CO -0.05 0.00 -0.48 -0.37 0.37 0.00 0.00 175.52 175.00 1y9x h VAL 53 N -0.16 1.34 -0.75 3.16 -1.51 -1.29 -2.45 116.25 114.58 1y9x h VAL 53 Ca 0.01 -1.68 -0.05 0.00 -1.23 0.00 0.00 66.70 63.75 1y9x h VAL 53 Cb 0.17 1.80 -0.03 0.00 -2.13 0.00 0.00 31.29 31.09 1y9x h VAL 53 CO -0.04 0.50 0.27 -0.08 -1.23 0.00 0.00 177.57 176.99 1y9x h GLU 54 N 0.18 1.15 -0.42 5.19 4.57 -0.76 -1.44 114.58 123.05 1y9x h GLU 54 Ca 0.01 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 57.92 1y9x h GLU 54 Cb 0.91 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 1y9x h GLU 54 CO 0.07 0.96 0.12 0.82 -1.18 0.00 0.00 179.01 179.80 1y9x h ILE 55 N 1.11 1.22 -0.92 2.32 2.04 -0.94 -2.97 117.51 119.37 1y9x h ILE 55 Ca 0.25 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 1y9x h ILE 55 Cb 0.27 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1y9x h ILE 55 CO -0.01 0.26 0.56 0.58 0.00 0.00 0.00 178.15 179.54 1y9x h VAL 56 N 0.54 1.25 -0.00 1.67 2.07 -1.06 -1.84 116.25 118.88 1y9x h VAL 56 Ca 0.13 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1y9x h VAL 56 Cb 0.28 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1y9x h VAL 56 CO -0.00 0.26 0.00 -2.11 0.02 0.00 0.00 177.57 175.74 1y9x n ARG 57 N -4.36 1.05 -0.03 1.57 1.85 -0.58 -2.93 116.66 113.22 1y9x n ARG 57 Ca 0.10 -0.07 0.01 0.00 -1.00 0.00 0.00 57.85 56.89 1y9x n ARG 57 Cb 0.06 -1.43 0.01 0.00 -1.05 0.00 0.00 32.46 30.04 1y9x n ARG 57 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1y9x n ASN 58 N -0.86 1.21 0.01 2.89 4.13 -0.86 -3.75 115.26 118.04 1y9x n ASN 58 Ca 0.21 -1.73 -0.00 0.00 1.68 0.00 0.00 54.58 54.73 1y9x n ASN 58 Cb 0.11 -0.05 -0.00 0.00 -1.54 0.00 0.00 39.78 38.31 1y9x n ASN 58 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1y9x n ARG 59 N -0.37 0.02 0.02 3.52 0.63 -0.75 -4.90 116.66 114.83 1y9x n ARG 59 Ca 0.01 0.01 -0.01 0.00 -0.92 0.00 0.00 57.85 56.94 1y9x n ARG 59 Cb 0.39 -0.23 -0.01 0.00 0.45 0.00 0.00 32.46 33.07 1y9x n ARG 59 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1y9x h PHE 60 N -0.03 -0.07 -3.10 -0.14 3.57 -1.80 -3.45 116.94 111.92 1y9x h PHE 60 Ca 0.00 -0.00 -0.48 0.00 3.53 0.00 0.00 57.97 61.01 1y9x h PHE 60 Cb 0.03 0.02 -0.41 0.00 2.79 0.00 0.00 35.95 38.39 1y9x h PHE 60 CO -0.01 -0.05 -0.76 -0.51 -2.23 0.00 0.00 178.31 174.75 1y9x s LEU 61 N -5.37 0.64 -0.13 0.59 2.01 -1.26 -4.99 118.68 110.17 1y9x s LEU 61 Ca -0.01 -0.73 -0.17 0.00 0.01 0.00 0.00 54.13 53.23 1y9x s LEU 61 Cb 0.00 -0.36 -0.25 0.00 0.01 0.00 0.00 46.19 45.58 1y9x s LEU 61 CO 0.03 -0.34 0.47 0.00 1.01 0.00 0.00 176.35 177.52 1y9x h ALA 62 N 8.36 0.22 -0.00 4.21 0.00 -1.85 -3.37 119.26 126.83 1y9x h ALA 62 Ca -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.63 1y9x h ALA 62 Cb 1.13 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1y9x h ALA 62 CO 0.32 0.82 0.00 -0.44 0.00 0.00 0.00 179.25 179.95 1y9x h ASP 63 N -0.44 0.00 -3.77 0.00 5.19 -1.94 -3.36 116.42 112.09 1y9x h ASP 63 Ca -0.31 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.44 1y9x h ASP 63 Cb 1.66 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 40.79 1y9x h ASP 63 CO 0.00 0.00 -0.77 -0.54 -3.12 0.00 0.00 179.24 174.81 1y9x s LYS 64 N -4.95 1.90 -0.29 3.56 1.02 -1.26 -5.06 119.74 114.66 1y9x s LYS 64 Ca -0.05 -1.45 -0.10 0.00 0.02 0.00 0.00 55.97 54.39 1y9x s LYS 64 Cb 0.16 -2.92 0.12 0.00 -0.52 0.00 0.00 37.83 34.68 1y9x s LYS 64 CO 0.64 -0.69 0.63 -1.50 -0.92 0.00 0.00 175.35 173.51 1y9x s ILE 65 N 1.09 -0.93 -0.14 2.17 1.10 -1.26 -4.37 121.20 118.86 1y9x s ILE 65 Ca -0.02 0.02 -0.10 0.00 -0.51 0.00 0.00 60.65 60.03 1y9x s ILE 65 Cb -0.19 -0.97 -0.05 0.00 0.15 0.00 0.00 42.46 41.40 1y9x s ILE 65 CO -0.07 0.01 0.20 -1.61 -2.11 0.00 0.00 174.94 171.36 1y9x s GLU 66 N 2.82 3.93 -0.25 3.50 0.41 -0.04 -5.01 118.70 124.05 1y9x s GLU 66 Ca -0.06 -0.05 -0.10 0.00 -0.41 0.00 0.00 54.97 54.35 1y9x s GLU 66 Cb -0.12 -3.32 -0.05 0.00 -1.78 0.00 0.00 34.13 28.86 1y9x s GLU 66 CO -0.18 0.49 0.15 0.42 -0.49 0.00 0.00 175.26 175.64 1y9x s ILE 67 N -0.23 5.14 -0.14 -1.63 1.01 -1.26 -0.30 121.20 123.80 1y9x s ILE 67 Ca 0.14 0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.76 1y9x s ILE 67 Cb -0.12 -3.41 -0.11 0.00 0.01 0.00 0.00 42.46 38.82 1y9x s ILE 67 CO 0.03 0.31 0.22 0.50 0.00 0.00 0.00 174.94 176.00 1y9x h LYS 68 N 7.90 0.00 -1.46 2.79 3.11 -1.36 -3.46 116.57 124.09 1y9x h LYS 68 Ca -0.37 0.00 0.19 0.00 -2.81 0.00 0.00 60.65 57.66 1y9x h LYS 68 Cb 1.18 0.00 -0.22 0.00 -1.00 0.00 0.00 32.23 32.19 1y9x h LYS 68 CO 0.60 0.44 0.74 -2.00 -2.81 0.00 0.00 179.45 176.43 1y9x s GLU 69 N -2.00 0.37 -0.13 1.90 2.56 -0.94 -5.03 118.70 115.42 1y9x s GLU 69 Ca -0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.97 54.81 1y9x s GLU 69 Cb 0.00 0.17 0.04 0.00 2.00 0.00 0.00 34.13 36.35 1y9x s GLU 69 CO 0.33 -0.14 -0.01 0.42 -0.56 0.00 0.00 175.26 175.31 1y9x s ILE 70 N -1.70 0.62 -0.07 -3.70 1.01 -1.26 -1.36 121.20 114.75 1y9x s ILE 70 Ca 0.05 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.50 1y9x s ILE 70 Cb -0.01 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 1y9x s ILE 70 CO -0.04 0.11 -0.24 -0.13 0.00 0.00 0.00 174.94 174.64 1y9x s ARG 71 N 1.85 2.64 -0.07 2.79 0.52 -0.30 -4.98 118.95 121.40 1y9x s ARG 71 Ca 0.02 -0.88 0.03 0.00 -0.52 0.00 0.00 55.73 54.39 1y9x s ARG 71 Cb -0.14 -2.21 0.01 0.00 0.52 0.00 0.00 34.95 33.12 1y9x s ARG 71 CO -0.07 0.37 -0.16 0.08 0.02 0.00 0.00 175.30 175.53 1y9x s VAL 72 N -0.12 1.44 0.00 3.52 1.01 -1.26 -0.29 120.40 124.70 1y9x s VAL 72 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1y9x s VAL 72 Cb -0.14 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1y9x s VAL 72 CO 0.04 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1y9x n GLY 73 N 3.54 0.77 3.48 4.51 0.00 -0.48 -5.03 105.19 111.98 1y9x n GLY 73 Ca -0.21 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1y9x n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y9x s SER 74 N 1.14 3.96 -0.09 1.61 1.04 -1.26 0.25 113.70 120.34 1y9x s SER 74 Ca 0.00 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.07 1y9x s SER 74 Cb 0.00 -0.70 -0.02 0.00 0.10 0.00 0.00 66.02 65.40 1y9x s SER 74 CO 0.00 0.26 -0.14 -1.58 0.98 0.00 0.00 173.24 172.75 1y9x s GLN 75 N -1.46 2.94 -0.20 4.02 0.74 0.20 -4.89 119.66 121.01 1y9x s GLN 75 Ca 0.15 -0.70 -0.21 0.00 0.05 0.00 0.00 55.36 54.65 1y9x s GLN 75 Cb -0.11 -2.49 -0.02 0.00 1.10 0.00 0.00 33.01 31.49 1y9x s GLN 75 CO 0.06 0.41 0.64 0.14 -0.55 0.00 0.00 175.29 175.99 1y9x s VAL 76 N -0.17 5.01 -0.04 1.34 -7.23 -1.26 -2.05 120.40 116.00 1y9x s VAL 76 Ca -0.01 1.20 0.06 0.00 -1.81 0.00 0.00 61.98 61.42 1y9x s VAL 76 Cb -0.13 -3.95 -0.01 0.00 0.56 0.00 0.00 36.38 32.84 1y9x s VAL 76 CO 0.03 0.10 -0.21 0.68 -0.31 0.00 0.00 175.10 175.40 1y9x s VAL 77 N 1.94 1.72 -0.35 1.32 -7.23 -0.38 -4.92 120.40 112.50 1y9x s VAL 77 Ca 0.29 -0.89 -0.26 0.00 -1.81 0.00 0.00 61.98 59.31 1y9x s VAL 77 Cb -0.16 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.34 1y9x s VAL 77 CO 0.10 0.48 0.92 0.42 -0.31 0.00 0.00 175.10 176.72 1y9x s THR 78 N -0.17 4.62 0.19 5.32 -4.23 -1.26 -0.54 115.64 119.57 1y9x s THR 78 Ca -0.01 1.28 -0.10 0.00 -1.18 0.00 0.00 61.69 61.69 1y9x s THR 78 Cb -0.11 -4.31 0.11 0.00 1.34 0.00 0.00 72.50 69.53 1y9x s THR 78 CO 0.02 -0.46 1.75 -1.28 -0.54 0.00 0.00 174.62 174.10 1y9x h SER 79 N 8.33 0.95 0.00 3.99 0.87 -1.27 -3.44 113.55 122.98 1y9x h SER 79 Ca -0.23 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1y9x h SER 79 Cb 1.08 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1y9x h SER 79 CO 0.97 0.87 0.00 0.00 -0.53 0.00 0.00 176.83 178.13 1y9x n GLN 80 N -4.38 0.00 0.00 2.24 6.02 -1.26 -5.06 117.38 114.94 1y9x n GLN 80 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1y9x n GLN 80 Cb 0.18 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.44 1y9x n GLN 80 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1y9x n ASP 81 N -1.96 0.00 -2.59 1.08 8.00 -1.26 -4.93 116.55 114.88 1y9x n ASP 81 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 1y9x n ASP 81 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 1y9x n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y9x n GLY 82 N 3.77 5.81 2.78 0.44 0.00 -1.26 -4.81 105.19 111.92 1y9x n GLY 82 Ca 0.00 -2.53 -0.30 0.00 0.00 0.00 0.00 46.02 43.19 1y9x n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y9x s ARG 83 N -3.85 1.13 -0.23 1.61 3.52 -1.26 -5.04 118.95 114.83 1y9x s ARG 83 Ca 0.54 -1.66 -0.25 0.00 -0.13 0.00 0.00 55.73 54.23 1y9x s ARG 83 Cb 0.44 -2.39 -0.01 0.00 -1.56 0.00 0.00 34.95 31.44 1y9x s ARG 83 CO -0.23 -1.06 0.83 -0.65 -0.81 0.00 0.00 175.30 173.39 1y9x s GLN 84 N 0.89 4.20 -0.14 5.12 -0.21 -1.26 -0.65 119.66 127.62 1y9x s GLN 84 Ca 0.14 0.96 -0.05 0.00 0.02 0.00 0.00 55.36 56.43 1y9x s GLN 84 Cb -0.21 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.13 1y9x s GLN 84 CO -0.11 -0.49 0.03 0.45 -2.12 0.00 0.00 175.29 173.06 1y9x s SER 85 N 1.30 5.43 -0.34 5.90 0.15 0.30 -4.89 113.70 121.56 1y9x s SER 85 Ca 0.36 0.11 -0.12 0.00 0.70 0.00 0.00 55.95 57.00 1y9x s SER 85 Cb -0.15 -1.77 -0.01 0.00 -1.71 0.00 0.00 66.02 62.38 1y9x s SER 85 CO 0.08 0.27 0.21 -0.13 1.20 0.00 0.00 173.24 174.88 1y9x s ARG 86 N -0.23 3.37 -0.04 5.44 3.00 -1.26 -1.25 118.95 127.98 1y9x s ARG 86 Ca 0.07 -0.72 0.05 0.00 0.00 0.00 0.00 55.73 55.13 1y9x s ARG 86 Cb -0.12 -3.73 -0.02 0.00 0.00 0.00 0.00 34.95 31.07 1y9x s ARG 86 CO 0.02 -0.47 -0.20 0.08 0.00 0.00 0.00 175.30 174.73 1y9x s VAL 87 N 1.67 2.59 0.06 3.52 1.01 -0.87 -4.91 120.40 123.47 1y9x s VAL 87 Ca 0.05 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 1y9x s VAL 87 Cb -0.17 -1.97 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 1y9x s VAL 87 CO 0.09 0.58 1.52 -0.94 0.00 0.00 0.00 175.10 176.35 1y9x s SER 88 N -0.64 6.72 0.07 3.32 1.04 -1.26 -0.63 113.70 122.32 1y9x s SER 88 Ca 0.10 2.35 0.04 0.00 0.48 0.00 0.00 55.95 58.92 1y9x s SER 88 Cb -0.11 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 1y9x s SER 88 CO 0.00 -0.79 -0.12 0.42 0.98 0.00 0.00 173.24 173.73 1y9x s THR 89 N 2.19 0.99 -0.00 2.02 -4.23 0.14 -0.27 115.64 116.47 1y9x s THR 89 Ca 0.69 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.87 1y9x s THR 89 Cb -0.37 -1.06 -0.00 0.00 1.34 0.00 0.00 72.50 72.41 1y9x s THR 89 CO 0.30 -0.32 -0.05 -0.51 -0.54 0.00 0.00 174.62 173.49 1y9x s ILE 90 N -1.55 0.40 -0.27 2.99 2.07 -0.66 -1.39 121.20 122.79 1y9x s ILE 90 Ca -0.02 -0.22 0.02 0.00 -1.41 0.00 0.00 60.65 59.03 1y9x s ILE 90 Cb -0.08 -0.34 0.06 0.00 0.13 0.00 0.00 42.46 42.23 1y9x s ILE 90 CO 0.02 0.11 -0.08 -1.61 -1.91 0.00 0.00 174.94 171.47 1y9x s GLU 91 N -0.12 2.24 -0.33 3.50 2.02 0.60 -2.32 118.70 124.30 1y9x s GLU 91 Ca 0.02 -1.36 -0.07 0.00 0.02 0.00 0.00 54.97 53.58 1y9x s GLU 91 Cb -0.02 -2.97 0.03 0.00 0.10 0.00 0.00 34.13 31.27 1y9x s GLU 91 CO -0.00 -0.60 0.10 0.42 0.02 0.00 0.00 175.26 175.20 1y9x s ILE 92 N 1.12 3.92 -0.19 -1.63 1.01 -0.64 -1.15 121.20 123.64 1y9x s ILE 92 Ca -0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 1y9x s ILE 92 Cb -0.20 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 1y9x s ILE 92 CO -0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 174.94 174.73 1y9x s ALA 93 N 1.45 2.73 0.23 9.38 0.00 -0.46 -1.02 121.76 134.07 1y9x s ALA 93 Ca 0.00 -1.10 0.11 0.00 0.00 0.00 0.00 51.96 50.97 1y9x s ALA 93 Cb -0.19 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 1y9x s ALA 93 CO 0.03 -0.25 -0.20 0.96 0.00 0.00 0.00 175.76 176.30 1y9x s ILE 94 N 1.17 2.28 -0.05 0.00 -4.36 -0.92 -0.98 121.20 118.34 1y9x s ILE 94 Ca 0.02 -2.21 0.04 0.00 -0.26 0.00 0.00 60.65 58.23 1y9x s ILE 94 Cb -0.14 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.40 1y9x s ILE 94 CO -0.02 -0.32 -0.17 -0.60 0.24 0.00 0.00 174.94 174.07 1y9x s ARG 95 N -3.18 1.90 -0.08 0.37 3.52 0.59 -2.40 118.95 119.66 1y9x s ARG 95 Ca 0.25 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 1y9x s ARG 95 Cb -0.06 -1.59 -0.03 0.00 -1.56 0.00 0.00 34.95 31.71 1y9x s ARG 95 CO 0.12 0.18 -0.02 0.21 -0.81 0.00 0.00 175.30 174.98 1y9x s LYS 96 N 0.22 2.95 0.00 5.12 2.36 0.63 -0.86 119.74 130.16 1y9x s LYS 96 Ca -0.08 -0.46 0.09 0.00 -2.55 0.00 0.00 55.97 52.98 1y9x s LYS 96 Cb -0.13 -2.74 0.07 0.00 -1.05 0.00 0.00 37.83 33.99 1y9x s LYS 96 CO 0.03 0.67 0.80 1.63 1.55 0.00 0.00 175.35 180.03