#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 -4.98 0.00 7.83 3.41 -1.26 -5.02 113.62 113.61 1y9x n SER 2 Ca 0.00 1.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 1y9x n SER 2 Cb 0.00 -4.66 0.00 0.00 -0.26 0.00 0.00 64.21 59.29 1y9x n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1y9x n SER 3 N 1.29 0.00 0.00 4.04 2.88 -1.26 -5.17 113.62 115.41 1y9x n SER 3 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1y9x n SER 3 Cb 0.30 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1y9x n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1y9x n GLY 4 N 0.56 1.76 3.91 0.46 0.00 -1.26 -5.09 105.19 105.53 1y9x n GLY 4 Ca 0.00 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.44 5.29 0.10 2.61 -4.23 -1.26 -4.99 115.64 111.72 1y9x s THR 5 Ca 0.00 -0.49 0.31 0.00 -1.18 0.00 0.00 61.69 60.33 1y9x s THR 5 Cb 0.00 -3.61 0.32 0.00 1.34 0.00 0.00 72.50 70.55 1y9x s THR 5 CO 0.00 0.09 1.95 1.55 -0.54 0.00 0.00 174.62 177.67 1y9x h PRO 6 N 2.90 0.00 -3.51 3.99 0.13 -2.09 -3.41 132.00 130.01 1y9x h PRO 6 Ca -0.46 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 1y9x h PRO 6 Cb 1.17 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.03 1y9x h PRO 6 CO 0.73 0.00 -0.61 -0.08 -0.23 0.00 0.00 178.00 177.82 1y9x s THR 7 N -3.74 0.00 -0.03 1.56 -1.32 -1.26 -5.13 115.64 105.72 1y9x s THR 7 Ca -0.02 -0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.14 1y9x s THR 7 Cb 0.09 -0.15 -0.05 0.00 -1.51 0.00 0.00 72.50 70.89 1y9x s THR 7 CO 0.33 -0.01 1.38 -2.16 -2.21 0.00 0.00 174.62 171.95 1y9x s PRO 8 N 0.01 4.28 0.01 7.08 0.04 -1.26 -4.83 135.00 140.33 1y9x s PRO 8 Ca -0.00 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1y9x s PRO 8 Cb -0.01 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1y9x s PRO 8 CO 0.00 -0.60 0.00 0.45 0.04 0.00 0.00 177.00 176.90 1y9x n SER 9 N 5.65 -0.00 -1.56 6.66 2.88 -1.26 -4.86 113.62 121.13 1y9x n SER 9 Ca 0.13 0.02 0.10 0.00 -1.33 0.00 0.00 58.87 57.79 1y9x n SER 9 Cb 0.44 0.01 0.36 0.00 -0.75 0.00 0.00 64.21 64.27 1y9x n SER 9 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1y9x n ASN 10 N -2.60 4.62 -4.48 -3.46 6.94 -1.26 -4.83 115.26 110.19 1y9x n ASN 10 Ca 0.00 -2.34 -0.42 0.00 -0.02 0.00 0.00 54.58 51.81 1y9x n ASN 10 Cb 0.06 -0.56 -0.10 0.00 -2.36 0.00 0.00 39.78 36.81 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 -1.64 5.20 -0.16 3.53 1.01 -1.26 -1.10 120.40 125.98 1y9x s VAL 11 Ca 0.51 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 1y9x s VAL 11 Cb 0.32 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1y9x s VAL 11 CO 0.27 -0.18 0.09 -0.69 0.00 0.00 0.00 175.10 174.60 1y9x s VAL 12 N 1.69 5.06 -0.09 2.92 1.01 0.22 -4.99 120.40 126.22 1y9x s VAL 12 Ca 0.05 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.13 1y9x s VAL 12 Cb -0.18 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1y9x s VAL 12 CO 0.10 0.52 -0.23 -0.22 0.00 0.00 0.00 175.10 175.27 1y9x s LEU 13 N -0.17 2.05 -0.16 3.92 2.96 -1.26 0.22 118.68 126.25 1y9x s LEU 13 Ca 0.09 -0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 53.39 1y9x s LEU 13 Cb -0.12 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 1y9x s LEU 13 CO 0.01 0.15 0.09 -0.63 -1.32 0.00 0.00 176.35 174.65 1y9x s ILE 14 N 0.33 5.06 0.00 6.68 1.01 -1.08 -4.94 121.20 128.26 1y9x s ILE 14 Ca -0.17 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1y9x s ILE 14 Cb -0.17 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1y9x s ILE 14 CO 0.08 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.15 1y9x n GLY 15 N 2.95 0.00 0.54 6.18 0.00 -1.26 -4.53 105.19 109.07 1y9x n GLY 15 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1y9x n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1y9x n LYS 16 N 0.00 0.00 -3.69 1.61 4.81 -1.26 -5.16 118.16 114.48 1y9x n LYS 16 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 1y9x n LYS 16 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1y9x n LYS 16 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1y9x s LYS 17 N -2.00 3.48 1.02 1.64 -0.14 -1.26 -5.09 119.74 117.38 1y9x s LYS 17 Ca 0.00 -0.48 -0.12 0.00 -1.36 0.00 0.00 55.97 54.01 1y9x s LYS 17 Cb 0.00 -2.80 0.20 0.00 -1.68 0.00 0.00 37.83 33.55 1y9x s LYS 17 CO 0.00 0.33 1.08 -1.25 -0.76 0.00 0.00 175.35 174.75 1y9x s PRO 18 N -3.86 0.24 0.55 -1.68 0.04 -1.26 -4.90 135.00 124.14 1y9x s PRO 18 Ca 0.37 1.00 0.28 0.00 0.04 0.00 0.00 61.00 62.70 1y9x s PRO 18 Cb -0.10 -1.68 1.46 0.00 0.04 0.00 0.00 34.50 34.22 1y9x s PRO 18 CO 0.31 -2.99 1.94 -0.24 0.04 0.00 0.00 177.00 176.07 1y9x h VAL 19 N -2.10 0.57 0.00 -0.36 3.04 -1.98 -1.60 116.25 113.82 1y9x h VAL 19 Ca -0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.13 1y9x h VAL 19 Cb 1.30 0.65 -0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1y9x h VAL 19 CO 0.50 0.00 -0.14 0.24 -1.01 0.00 0.00 177.57 177.16 1y9x h MET 20 N 0.00 0.00 0.00 4.17 2.86 -1.99 0.36 114.93 120.33 1y9x h MET 20 Ca 0.29 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.83 1y9x h MET 20 Cb 1.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 1y9x h MET 20 CO -0.00 0.14 -0.49 -0.97 1.06 0.00 0.00 176.91 176.65 1y9x h ASN 21 N 0.00 0.00 0.10 1.22 -1.24 -1.63 -2.08 115.58 111.95 1y9x h ASN 21 Ca -0.00 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.68 1y9x h ASN 21 Cb 0.25 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 1y9x h ASN 21 CO 0.02 0.49 -1.77 1.88 -1.29 0.00 0.00 177.43 176.76 1y9x h TYR 22 N 0.00 0.38 -0.02 0.67 0.05 -1.38 -3.13 116.97 113.55 1y9x h TYR 22 Ca -0.00 -0.28 -0.00 0.00 0.05 0.00 0.00 58.73 58.50 1y9x h TYR 22 Cb 0.93 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.65 1y9x h TYR 22 CO 0.00 1.70 0.01 0.28 -1.05 0.00 0.00 178.16 179.10 1y9x h VAL 23 N -0.21 1.04 0.00 -2.88 2.07 -0.99 -0.84 116.25 114.44 1y9x h VAL 23 Ca -0.39 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1y9x h VAL 23 Cb 1.85 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1y9x h VAL 23 CO 0.02 0.03 0.00 -0.07 0.02 0.00 0.00 177.57 177.57 1y9x h LEU 24 N -0.02 0.00 0.01 2.57 4.07 -1.55 -1.60 115.31 118.79 1y9x h LEU 24 Ca 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 1y9x h LEU 24 Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1y9x h LEU 24 CO -0.00 0.00 -0.15 0.00 -1.08 0.00 0.00 178.44 177.21 1y9x h ALA 25 N 2.01 0.00 -0.70 1.53 0.00 -1.36 -3.09 119.26 117.65 1y9x h ALA 25 Ca 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.48 1y9x h ALA 25 Cb 0.41 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1y9x h ALA 25 CO 0.00 0.03 0.42 0.00 0.00 0.00 0.00 179.25 179.70 1y9x h ALA 26 N 0.15 0.93 -0.44 0.00 0.00 -0.79 -0.66 119.26 118.45 1y9x h ALA 26 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y9x h ALA 26 Cb 0.99 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1y9x h ALA 26 CO 0.03 0.16 0.28 -0.07 0.00 0.00 0.00 179.25 179.64 1y9x h LEU 27 N 0.80 0.52 0.01 0.00 3.38 -1.41 -1.77 115.31 116.84 1y9x h LEU 27 Ca 0.29 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 58.00 1y9x h LEU 27 Cb 0.09 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 40.73 1y9x h LEU 27 CO -0.14 0.39 -0.97 0.74 0.09 0.00 0.00 178.44 178.55 1y9x h THR 28 N 0.61 1.31 -0.79 0.22 2.02 -1.21 -3.23 112.91 111.84 1y9x h THR 28 Ca 0.16 -2.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.10 1y9x h THR 28 Cb -0.04 2.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 1y9x h THR 28 CO -0.03 0.68 0.44 -0.07 0.37 0.00 0.00 175.52 176.91 1y9x h LEU 29 N 0.28 0.98 -0.72 2.58 3.38 -0.61 -0.48 115.31 120.70 1y9x h LEU 29 Ca -0.12 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1y9x h LEU 29 Cb 1.63 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.10 1y9x h LEU 29 CO 0.19 0.78 0.48 -0.07 0.09 0.00 0.00 178.44 179.90 1y9x h LEU 30 N 1.10 0.84 0.00 1.67 3.38 -1.39 -0.10 115.31 120.81 1y9x h LEU 30 Ca 0.28 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1y9x h LEU 30 Cb 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1y9x h LEU 30 CO -0.05 0.61 -0.31 -1.13 0.09 0.00 0.00 178.44 177.66 1y9x h ASN 31 N 0.98 0.00 0.62 -0.43 -1.24 -1.45 -3.23 115.58 110.82 1y9x h ASN 31 Ca 0.26 -0.07 -0.24 0.00 0.71 0.00 0.00 56.30 56.96 1y9x h ASN 31 Cb -0.11 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 38.94 1y9x h ASN 31 CO -0.06 0.03 -1.10 -0.61 -1.29 0.00 0.00 177.43 174.41 1y9x h GLN 32 N 0.00 0.25 0.00 6.67 5.75 -0.57 -3.47 115.11 123.74 1y9x h GLN 32 Ca 0.00 -0.36 0.00 0.00 -0.15 0.00 0.00 58.65 58.14 1y9x h GLN 32 Cb 0.82 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.49 1y9x h GLN 32 CO 0.00 1.13 0.00 0.41 -2.65 0.00 0.00 178.83 177.72 1y9x n GLY 33 N 1.30 -0.29 3.36 2.39 0.00 -0.73 -5.09 105.19 106.13 1y9x n GLY 33 Ca -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 4.91 -0.34 1.61 1.01 -0.13 -4.87 120.40 122.58 1y9x s VAL 34 Ca 0.00 -1.08 0.22 0.00 0.00 0.00 0.00 61.98 61.12 1y9x s VAL 34 Cb 0.00 -4.45 0.28 0.00 0.00 0.00 0.00 36.38 32.22 1y9x s VAL 34 CO 0.00 -1.05 1.60 0.28 0.00 0.00 0.00 175.10 175.93 1y9x h SER 35 N 9.11 0.00 -3.26 3.32 0.02 -1.82 -3.27 113.55 117.65 1y9x h SER 35 Ca -0.29 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.19 1y9x h SER 35 Cb 1.09 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.26 1y9x h SER 35 CO 1.08 0.11 -0.78 -1.83 -1.14 0.00 0.00 176.83 174.27 1y9x s GLU 36 N -3.19 0.94 0.19 3.45 -1.05 -1.26 -0.07 118.70 117.71 1y9x s GLU 36 Ca 0.06 -0.04 0.08 0.00 -0.15 0.00 0.00 54.97 54.92 1y9x s GLU 36 Cb 0.06 -1.15 -0.05 0.00 -0.44 0.00 0.00 34.13 32.55 1y9x s GLU 36 CO 0.68 -0.26 -0.15 0.96 0.95 0.00 0.00 175.26 177.44 1y9x s ILE 37 N 1.72 1.74 -0.13 1.83 -0.00 -0.95 -4.96 121.20 120.45 1y9x s ILE 37 Ca 0.02 -2.12 0.01 0.00 -0.00 0.00 0.00 60.65 58.56 1y9x s ILE 37 Cb -0.13 -1.97 0.02 0.00 -0.00 0.00 0.00 42.46 40.38 1y9x s ILE 37 CO -0.05 -0.52 -0.14 -0.69 -0.00 0.00 0.00 174.94 173.53 1y9x s VAL 38 N -2.72 1.54 -0.24 8.37 1.01 -0.26 -2.18 120.40 125.91 1y9x s VAL 38 Ca 0.20 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1y9x s VAL 38 Cb -0.02 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1y9x s VAL 38 CO 0.07 0.45 0.08 -0.63 0.00 0.00 0.00 175.10 175.06 1y9x s ILE 39 N 1.30 4.43 -0.06 2.22 1.01 0.66 -0.61 121.20 130.16 1y9x s ILE 39 Ca 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 1y9x s ILE 39 Cb -0.14 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 1y9x s ILE 39 CO -0.07 0.34 -0.02 -0.54 0.00 0.00 0.00 174.94 174.65 1y9x s LYS 40 N 1.49 2.85 0.11 2.79 1.02 0.13 -0.82 119.74 127.31 1y9x s LYS 40 Ca 0.06 -0.51 0.03 0.00 0.02 0.00 0.00 55.97 55.57 1y9x s LYS 40 Cb -0.15 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.43 1y9x s LYS 40 CO 0.04 0.67 -0.09 0.00 -0.92 0.00 0.00 175.35 175.05 1y9x s ALA 41 N -0.91 1.15 -0.02 5.17 0.00 -0.92 -2.62 121.76 123.60 1y9x s ALA 41 Ca 0.15 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1y9x s ALA 41 Cb -0.11 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1y9x s ALA 41 CO 0.04 -0.10 -0.06 0.50 0.00 0.00 0.00 175.76 176.14 1y9x s ARG 42 N -3.23 0.76 6.24 0.00 3.52 -1.26 -1.92 118.95 123.06 1y9x s ARG 42 Ca 0.09 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 1y9x s ARG 42 Cb 0.00 -0.74 0.00 0.00 -1.56 0.00 0.00 34.95 32.65 1y9x s ARG 42 CO -0.01 0.05 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 1y9x n GLY 43 N 3.43 2.18 0.00 8.12 0.00 0.06 -2.48 105.19 116.49 1y9x n GLY 43 Ca -0.19 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 13.24 0.53 0.00 1.61 1.85 -1.26 -2.78 116.66 129.85 1y9x n ARG 44 Ca 0.00 0.04 0.12 0.00 -1.00 0.00 0.00 57.85 57.01 1y9x n ARG 44 Cb 0.00 -1.50 0.54 0.00 -1.05 0.00 0.00 32.46 30.45 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 -1.12 2.16 -0.18 2.89 0.00 -1.04 -3.40 120.51 119.82 1y9x n ALA 45 Ca 0.14 -0.09 0.18 0.00 0.00 0.00 0.00 53.44 53.67 1y9x n ALA 45 Cb 0.12 -1.41 0.54 0.00 0.00 0.00 0.00 19.45 18.70 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 0.73 -0.05 0.00 2.04 -1.72 -0.06 117.51 118.46 1y9x h ILE 46 Ca 0.00 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1y9x h ILE 46 Cb 0.43 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1y9x h ILE 46 CO 0.00 0.06 -0.12 0.77 0.00 0.00 0.00 178.15 178.86 1y9x h SER 47 N 0.35 0.07 0.92 1.72 4.64 -1.85 -2.34 113.55 117.06 1y9x h SER 47 Ca 0.40 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.55 1y9x h SER 47 Cb 1.03 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 1y9x h SER 47 CO -0.12 0.20 -1.16 0.11 -0.87 0.00 0.00 176.83 174.99 1y9x h LYS 48 N 0.07 0.00 -0.13 4.77 1.57 -1.26 -2.87 116.57 118.72 1y9x h LYS 48 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1y9x h LYS 48 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1y9x h LYS 48 CO 0.02 0.38 0.05 0.00 -0.57 0.00 0.00 179.45 179.33 1y9x h ALA 49 N 1.41 0.17 -0.30 3.86 0.00 -1.16 0.20 119.26 123.44 1y9x h ALA 49 Ca -0.12 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1y9x h ALA 49 Cb 1.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1y9x h ALA 49 CO 0.06 -0.24 -0.44 -0.24 0.00 0.00 0.00 179.25 178.39 1y9x h VAL 50 N 0.05 1.29 -0.21 0.00 3.04 -1.64 -2.75 116.25 116.02 1y9x h VAL 50 Ca 0.04 -1.62 0.00 0.00 -1.01 0.00 0.00 66.70 64.12 1y9x h VAL 50 Cb 0.17 1.52 -0.01 0.00 -2.01 0.00 0.00 31.29 30.96 1y9x h VAL 50 CO -0.00 0.53 0.13 -0.78 -1.01 0.00 0.00 177.57 176.44 1y9x h ASP 51 N 0.62 0.22 0.13 3.17 3.58 -1.27 0.56 116.42 123.44 1y9x h ASP 51 Ca 0.04 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.50 1y9x h ASP 51 Cb 1.00 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.97 1y9x h ASP 51 CO 0.10 0.16 -0.25 0.74 -2.88 0.00 0.00 179.24 177.11 1y9x h THR 52 N 0.27 0.45 -0.05 2.25 2.02 -0.55 -0.29 112.91 117.02 1y9x h THR 52 Ca 0.08 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 1y9x h THR 52 Cb -0.02 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1y9x h THR 52 CO -0.03 0.00 -0.40 -0.37 0.37 0.00 0.00 175.52 175.10 1y9x h VAL 53 N -0.46 1.30 -0.39 3.16 -1.51 -1.31 -2.19 116.25 114.84 1y9x h VAL 53 Ca 0.02 -1.42 -0.12 0.00 -1.23 0.00 0.00 66.70 63.96 1y9x h VAL 53 Cb 0.48 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 1y9x h VAL 53 CO -0.13 0.41 -0.23 -0.08 -1.23 0.00 0.00 177.57 176.31 1y9x h GLU 54 N 0.09 0.78 -0.14 5.19 4.81 -0.44 0.30 114.58 125.16 1y9x h GLU 54 Ca 0.01 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 1y9x h GLU 54 Cb 0.74 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1y9x h GLU 54 CO 0.06 0.93 0.03 0.82 -0.73 0.00 0.00 179.01 180.12 1y9x h ILE 55 N 0.68 1.21 0.16 2.32 2.04 -0.73 -2.80 117.51 120.39 1y9x h ILE 55 Ca 0.09 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1y9x h ILE 55 Cb 0.75 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1y9x h ILE 55 CO 0.06 0.20 -0.15 0.58 0.00 0.00 0.00 178.15 178.83 1y9x h VAL 56 N 0.02 0.66 0.00 1.67 2.07 -1.09 -0.21 116.25 119.38 1y9x h VAL 56 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1y9x h VAL 56 Cb 0.28 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1y9x h VAL 56 CO 0.00 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 175.48 1y9x n ARG 57 N -5.28 0.13 -0.01 1.57 1.85 0.07 -1.36 116.66 113.63 1y9x n ARG 57 Ca -0.08 0.45 0.02 0.00 -1.00 0.00 0.00 57.85 57.25 1y9x n ARG 57 Cb 0.19 -1.80 0.03 0.00 -1.05 0.00 0.00 32.46 29.83 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 -2.06 1.57 -0.01 2.89 4.13 -0.99 -3.24 115.26 117.55 1y9x n ASN 58 Ca 0.01 -1.36 -0.02 0.00 1.68 0.00 0.00 54.58 54.90 1y9x n ASN 58 Cb 0.15 -0.02 -0.02 0.00 -1.54 0.00 0.00 39.78 38.36 1y9x n ASN 58 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1y9x n ARG 59 N 0.14 2.05 -0.07 3.52 1.85 -0.13 -4.86 116.66 119.16 1y9x n ARG 59 Ca 0.03 0.01 -0.07 0.00 -1.00 0.00 0.00 57.85 56.82 1y9x n ARG 59 Cb 0.15 -1.06 -0.03 0.00 -1.05 0.00 0.00 32.46 30.48 1y9x n ARG 59 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1y9x n PHE 60 N -2.31 0.95 -3.25 2.89 7.35 -0.46 -4.94 117.46 117.70 1y9x n PHE 60 Ca -0.04 0.41 -0.02 0.00 -0.76 0.00 0.00 57.45 57.04 1y9x n PHE 60 Cb 0.56 -0.81 -0.04 0.00 0.35 0.00 0.00 39.48 39.54 1y9x n PHE 60 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1y9x s LEU 61 N -8.18 -1.04 0.00 -2.13 2.96 -1.25 -4.99 118.68 104.05 1y9x s LEU 61 Ca -0.16 0.53 0.22 0.00 -0.22 0.00 0.00 54.13 54.51 1y9x s LEU 61 Cb 0.02 1.66 -0.02 0.00 0.50 0.00 0.00 46.19 48.36 1y9x s LEU 61 CO 0.26 -0.28 1.07 0.00 -1.32 0.00 0.00 176.35 176.08 1y9x n ALA 62 N 5.40 3.81 0.01 5.97 0.00 -1.20 -4.43 120.51 130.07 1y9x n ALA 62 Ca -0.02 -0.62 -0.22 0.00 0.00 0.00 0.00 53.44 52.58 1y9x n ALA 62 Cb 0.51 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 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 1.81 0.42 -3.54 0.00 3.32 -1.94 -3.43 116.42 113.06 1y9x h ASP 63 Ca 0.00 -0.88 -0.63 0.00 0.02 0.00 0.00 57.03 55.53 1y9x h ASP 63 Cb 0.69 -0.14 -0.40 0.00 0.22 0.00 0.00 39.33 39.70 1y9x h ASP 63 CO 0.00 1.75 -0.73 -0.54 -1.72 0.00 0.00 179.24 178.00 1y9x s LYS 64 N -2.52 1.24 -0.11 3.56 1.02 -1.26 -5.07 119.74 116.59 1y9x s LYS 64 Ca -0.21 -1.66 -0.21 0.00 0.02 0.00 0.00 55.97 53.91 1y9x s LYS 64 Cb 0.06 -2.77 0.05 0.00 -0.52 0.00 0.00 37.83 34.65 1y9x s LYS 64 CO 0.77 -0.97 0.53 -1.50 -0.92 0.00 0.00 175.35 173.25 1y9x s ILE 65 N 1.05 0.01 0.04 2.17 1.10 -1.26 -4.21 121.20 120.11 1y9x s ILE 65 Ca 0.11 -0.12 0.03 0.00 -0.51 0.00 0.00 60.65 60.16 1y9x s ILE 65 Cb -0.19 -0.79 -0.02 0.00 0.15 0.00 0.00 42.46 41.60 1y9x s ILE 65 CO -0.13 -0.06 -0.09 -0.70 -2.11 0.00 0.00 174.94 171.84 1y9x s GLU 66 N -0.54 0.60 -0.16 3.50 2.56 -0.55 -4.91 118.70 119.21 1y9x s GLU 66 Ca -0.07 -0.72 -0.07 0.00 0.00 0.00 0.00 54.97 54.12 1y9x s GLU 66 Cb -0.03 -0.46 -0.04 0.00 2.00 0.00 0.00 34.13 35.60 1y9x s GLU 66 CO 0.04 0.10 0.08 0.42 -0.56 0.00 0.00 175.26 175.34 1y9x s ILE 67 N -1.14 4.95 -0.22 -3.70 1.01 -1.26 -0.51 121.20 120.33 1y9x s ILE 67 Ca -0.06 0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.42 1y9x s ILE 67 Cb -0.09 -3.20 -0.15 0.00 0.01 0.00 0.00 42.46 39.03 1y9x s ILE 67 CO 0.01 0.52 0.01 1.17 0.00 0.00 0.00 174.94 176.64 1y9x n LYS 68 N 2.97 0.56 -3.62 2.79 3.00 0.16 -4.85 118.16 119.17 1y9x n LYS 68 Ca -0.18 0.48 -0.14 0.00 -0.00 0.00 0.00 58.31 58.47 1y9x n LYS 68 Cb 0.53 -1.67 -0.07 0.00 0.00 0.00 0.00 35.03 33.83 1y9x n LYS 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1y9x s GLU 69 N -2.41 0.85 -0.29 1.64 2.56 -0.93 -5.01 118.70 115.11 1y9x s GLU 69 Ca -0.30 0.87 -0.02 0.00 0.00 0.00 0.00 54.97 55.52 1y9x s GLU 69 Cb 0.08 0.41 0.12 0.00 2.00 0.00 0.00 34.13 36.73 1y9x s GLU 69 CO 0.52 -0.13 0.20 0.96 -0.56 0.00 0.00 175.26 176.26 1y9x s ILE 70 N 0.16 -0.22 0.07 -3.70 -4.36 -1.26 -0.21 121.20 111.68 1y9x s ILE 70 Ca -0.01 -0.65 0.02 0.00 -0.26 0.00 0.00 60.65 59.75 1y9x s ILE 70 Cb -0.04 -0.98 -0.03 0.00 1.25 0.00 0.00 42.46 42.65 1y9x s ILE 70 CO 0.02 -0.62 -0.08 -0.13 0.24 0.00 0.00 174.94 174.37 1y9x s ARG 71 N 2.21 0.69 -0.01 0.37 0.52 -0.91 -5.02 118.95 116.79 1y9x s ARG 71 Ca 0.09 -1.01 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 1y9x s ARG 71 Cb -0.15 -0.33 0.01 0.00 0.52 0.00 0.00 34.95 35.00 1y9x s ARG 71 CO -0.35 0.04 -0.00 0.54 0.02 0.00 0.00 175.30 175.55 1y9x s VAL 72 N -2.24 0.07 0.00 3.52 0.11 -1.26 -0.91 120.40 119.69 1y9x s VAL 72 Ca -0.00 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1y9x s VAL 72 Cb -0.04 -0.12 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 1y9x s VAL 72 CO -0.01 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 1y9x n GLY 73 N 3.50 2.72 3.71 6.54 0.00 -0.31 -5.01 105.19 116.33 1y9x n GLY 73 Ca -0.18 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 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 0.23 6.14 -0.32 1.61 0.01 -1.26 -1.13 113.70 118.98 1y9x s SER 74 Ca 0.00 0.19 -0.07 0.00 1.31 0.00 0.00 55.95 57.38 1y9x s SER 74 Cb 0.00 -2.08 0.02 0.00 0.21 0.00 0.00 66.02 64.17 1y9x s SER 74 CO 0.00 0.15 0.11 -1.58 0.41 0.00 0.00 173.24 172.33 1y9x s GLN 75 N 0.54 2.89 -0.37 12.44 0.74 0.80 -4.91 119.66 131.78 1y9x s GLN 75 Ca 0.08 -1.00 -0.13 0.00 0.05 0.00 0.00 55.36 54.36 1y9x s GLN 75 Cb -0.12 -3.46 0.01 0.00 1.10 0.00 0.00 33.01 30.55 1y9x s GLN 75 CO -0.00 -0.56 0.24 0.08 -0.55 0.00 0.00 175.29 174.50 1y9x s VAL 76 N 1.47 4.95 0.15 1.34 1.01 -1.26 -1.03 120.40 127.04 1y9x s VAL 76 Ca 0.01 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1y9x s VAL 76 Cb -0.18 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1y9x s VAL 76 CO 0.03 -0.17 0.01 0.68 0.00 0.00 0.00 175.10 175.65 1y9x s VAL 77 N 1.64 0.51 -0.05 2.92 -7.23 -0.24 -4.93 120.40 113.02 1y9x s VAL 77 Ca 0.04 -1.95 -0.24 0.00 -1.81 0.00 0.00 61.98 58.02 1y9x s VAL 77 Cb -0.18 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 1y9x s VAL 77 CO 0.08 -0.54 0.73 0.42 -0.31 0.00 0.00 175.10 175.48 1y9x s THR 78 N -3.77 5.00 -0.02 5.32 -4.23 -1.26 0.08 115.64 116.77 1y9x s THR 78 Ca 0.22 1.51 0.12 0.00 -1.18 0.00 0.00 61.69 62.36 1y9x s THR 78 Cb 0.06 -4.07 -0.05 0.00 1.34 0.00 0.00 72.50 69.79 1y9x s THR 78 CO 0.02 0.26 1.39 0.28 -0.54 0.00 0.00 174.62 176.03 1y9x h SER 79 N 6.65 0.00 0.00 3.99 0.02 -1.13 -3.46 113.55 119.62 1y9x h SER 79 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1y9x h SER 79 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1y9x h SER 79 CO 0.75 0.70 0.00 0.00 -1.14 0.00 0.00 176.83 177.14 1y9x n GLN 80 N -3.30 0.00 0.00 3.45 6.02 -1.26 -5.06 117.38 117.23 1y9x n GLN 80 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1y9x n GLN 80 Cb 0.81 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.07 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 -0.92 0.00 -2.45 1.08 9.92 -1.26 -4.92 116.55 118.00 1y9x n ASP 81 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 1y9x n ASP 81 Cb 0.00 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.50 1y9x n ASP 81 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1y9x n GLY 82 N 1.78 4.97 2.73 0.44 0.00 -1.26 -4.74 105.19 109.11 1y9x n GLY 82 Ca 0.00 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.86 0.71 -0.16 1.61 3.52 -1.26 -5.06 118.95 115.44 1y9x s ARG 83 Ca 0.53 -0.80 -0.19 0.00 -0.13 0.00 0.00 55.73 55.14 1y9x s ARG 83 Cb 0.40 -2.00 -0.04 0.00 -1.56 0.00 0.00 34.95 31.75 1y9x s ARG 83 CO -0.19 -0.85 0.52 -0.65 -0.81 0.00 0.00 175.30 173.33 1y9x s GLN 84 N 1.73 4.26 -0.06 5.12 -0.21 -1.26 -0.47 119.66 128.77 1y9x s GLN 84 Ca 0.05 0.46 0.03 0.00 0.02 0.00 0.00 55.36 55.92 1y9x s GLN 84 Cb -0.17 -3.51 -0.02 0.00 1.00 0.00 0.00 33.01 30.31 1y9x s GLN 84 CO -0.19 -0.03 -0.16 0.45 -2.12 0.00 0.00 175.29 173.25 1y9x s SER 85 N 0.93 3.89 -0.32 5.90 0.15 0.11 -4.94 113.70 119.43 1y9x s SER 85 Ca 0.26 -0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.62 1y9x s SER 85 Cb -0.15 -0.96 0.05 0.00 -1.71 0.00 0.00 66.02 63.25 1y9x s SER 85 CO 0.10 0.30 0.04 -0.13 1.20 0.00 0.00 173.24 174.76 1y9x s ARG 86 N -0.48 2.43 -0.04 5.44 0.52 -1.26 -1.08 118.95 124.49 1y9x s ARG 86 Ca 0.06 -1.30 0.02 0.00 -0.52 0.00 0.00 55.73 53.99 1y9x s ARG 86 Cb -0.12 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 32.08 1y9x s ARG 86 CO 0.02 -0.67 -0.08 0.08 0.02 0.00 0.00 175.30 174.66 1y9x s VAL 87 N 1.28 0.78 0.24 3.52 1.01 -0.20 -4.91 120.40 122.11 1y9x s VAL 87 Ca -0.03 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1y9x s VAL 87 Cb -0.20 -0.72 -0.10 0.00 0.00 0.00 0.00 36.38 35.36 1y9x s VAL 87 CO -0.00 0.26 1.42 -0.55 0.00 0.00 0.00 175.10 176.22 1y9x s SER 88 N 0.45 6.69 0.15 3.32 0.15 -1.26 -0.14 113.70 123.06 1y9x s SER 88 Ca -0.07 2.62 0.04 0.00 0.70 0.00 0.00 55.95 59.24 1y9x s SER 88 Cb -0.11 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.53 1y9x s SER 88 CO 0.01 -0.67 -0.09 0.42 1.20 0.00 0.00 173.24 174.10 1y9x s THR 89 N 0.02 1.10 -0.02 6.45 -4.23 -0.29 -0.77 115.64 117.91 1y9x s THR 89 Ca 0.59 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1y9x s THR 89 Cb -0.41 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.59 1y9x s THR 89 CO 0.42 -0.74 0.04 -0.51 -0.54 0.00 0.00 174.62 173.30 1y9x s ILE 90 N -3.37 -0.03 -0.27 2.99 2.07 -0.81 -1.17 121.20 120.62 1y9x s ILE 90 Ca 0.17 0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 59.46 1y9x s ILE 90 Cb 0.03 -0.08 0.01 0.00 0.13 0.00 0.00 42.46 42.55 1y9x s ILE 90 CO 0.00 0.04 0.01 -1.61 -1.91 0.00 0.00 174.94 171.47 1y9x s GLU 91 N 0.50 3.05 -0.29 3.50 8.01 -0.09 -2.16 118.70 131.21 1y9x s GLU 91 Ca -0.04 -0.86 -0.04 0.00 0.01 0.00 0.00 54.97 54.03 1y9x s GLU 91 Cb -0.06 -3.17 0.03 0.00 -4.31 0.00 0.00 34.13 26.62 1y9x s GLU 91 CO -0.02 -0.39 0.03 0.42 0.01 0.00 0.00 175.26 175.32 1y9x s ILE 92 N 1.43 3.45 -0.17 -1.63 1.01 0.00 -2.15 121.20 123.14 1y9x s ILE 92 Ca 0.02 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 1y9x s ILE 92 Cb -0.17 -2.86 -0.00 0.00 0.01 0.00 0.00 42.46 39.45 1y9x s ILE 92 CO -0.01 0.01 -0.12 0.00 0.00 0.00 0.00 174.94 174.81 1y9x s ALA 93 N 1.38 2.58 0.12 9.38 0.00 0.71 -0.24 121.76 135.69 1y9x s ALA 93 Ca -0.01 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 50.96 1y9x s ALA 93 Cb -0.18 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1y9x s ALA 93 CO 0.00 -0.14 -0.19 0.96 0.00 0.00 0.00 175.76 176.40 1y9x s ILE 94 N 0.98 1.67 -0.09 0.00 -4.36 -0.93 -0.67 121.20 117.81 1y9x s ILE 94 Ca -0.02 -1.68 0.01 0.00 -0.26 0.00 0.00 60.65 58.70 1y9x s ILE 94 Cb -0.15 -1.62 0.02 0.00 1.25 0.00 0.00 42.46 41.96 1y9x s ILE 94 CO -0.02 -0.20 -0.09 -0.60 0.24 0.00 0.00 174.94 174.28 1y9x s ARG 95 N -2.29 1.47 0.28 0.37 3.52 0.34 -2.23 118.95 120.40 1y9x s ARG 95 Ca 0.09 -0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 55.12 1y9x s ARG 95 Cb -0.08 -1.42 -0.10 0.00 -1.56 0.00 0.00 34.95 31.80 1y9x s ARG 95 CO 0.05 -0.15 1.09 0.21 -0.81 0.00 0.00 175.30 175.69 1y9x s LYS 96 N 1.27 4.65 0.00 5.12 2.36 0.90 -1.48 119.74 132.56 1y9x s LYS 96 Ca -0.04 1.79 0.23 0.00 -2.55 0.00 0.00 55.97 55.41 1y9x s LYS 96 Cb -0.14 -3.19 0.18 0.00 -1.05 0.00 0.00 37.83 33.63 1y9x s LYS 96 CO -0.03 0.23 1.24 1.63 1.55 0.00 0.00 175.35 179.97