#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9x s ILE 2 N 0.00 4.38 0.11 4.25 -1.09 -0.49 -0.90 121.20 127.46 1m9x s ILE 2 Ca 0.00 -0.21 -0.08 0.00 -2.23 0.00 0.00 60.65 58.12 1m9x s ILE 2 Cb 0.00 -2.86 -0.01 0.00 -1.58 0.00 0.00 42.46 38.01 1m9x s ILE 2 CO 0.00 0.59 0.21 0.68 -1.23 0.00 0.00 174.94 175.19 1m9x s VAL 3 N -0.71 0.12 0.15 2.92 -7.23 0.04 -4.82 120.40 110.88 1m9x s VAL 3 Ca 0.11 -1.28 -0.26 0.00 -1.81 0.00 0.00 61.98 58.74 1m9x s VAL 3 Cb -0.12 -1.53 -0.08 0.00 0.56 0.00 0.00 36.38 35.22 1m9x s VAL 3 CO 0.02 -0.53 0.81 -1.58 -0.31 0.00 0.00 175.10 173.51 1m9x s GLN 4 N -3.90 4.61 0.48 4.82 0.74 -1.26 0.10 119.66 125.25 1m9x s GLN 4 Ca 0.10 1.21 0.07 0.00 0.05 0.00 0.00 55.36 56.78 1m9x s GLN 4 Cb 0.04 -3.29 0.07 0.00 1.10 0.00 0.00 33.01 30.93 1m9x s GLN 4 CO -0.07 0.49 0.55 0.27 -0.55 0.00 0.00 175.29 175.99 1m9x n ASN 5 N 1.85 2.02 0.22 6.67 6.94 0.45 -4.91 115.26 128.50 1m9x n ASN 5 Ca -0.04 -2.39 0.06 0.00 -0.02 0.00 0.00 54.58 52.19 1m9x n ASN 5 Cb 0.49 -0.24 0.56 0.00 -2.36 0.00 0.00 39.78 38.23 1m9x n ASN 5 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1m9x h LEU 6 N 0.00 0.06 -1.51 -4.53 4.07 -1.98 0.32 115.31 111.74 1m9x h LEU 6 Ca -0.25 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1m9x h LEU 6 Cb 1.05 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1m9x h LEU 6 CO 0.37 0.12 0.00 0.00 -1.08 0.00 0.00 178.44 177.85 1m9x n GLN 7 N -4.45 1.96 -0.29 1.13 3.00 -1.26 -4.96 117.38 112.52 1m9x n GLN 7 Ca -0.02 -1.48 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 1m9x n GLN 7 Cb 0.15 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 29.02 1m9x n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1m9x n GLY 8 N 1.20 1.03 3.85 1.08 0.00 0.11 -5.06 105.19 107.40 1m9x n GLY 8 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1m9x n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1m9x s GLN 9 N -0.51 3.99 -0.10 1.61 -2.07 -1.26 -4.66 119.66 116.66 1m9x s GLN 9 Ca 0.00 0.60 -0.29 0.00 -1.82 0.00 0.00 55.36 53.85 1m9x s GLN 9 Cb 0.00 -2.58 -0.02 0.00 -1.09 0.00 0.00 33.01 29.33 1m9x s GLN 9 CO 0.00 0.25 0.97 -1.64 -1.32 0.00 0.00 175.29 173.54 1m9x s MET 10 N -2.73 4.42 0.14 9.60 -1.94 -1.26 -0.41 119.30 127.12 1m9x s MET 10 Ca 0.50 1.32 -0.04 0.00 -1.71 0.00 0.00 55.69 55.76 1m9x s MET 10 Cb -0.12 -3.53 -0.03 0.00 2.01 0.00 0.00 34.83 33.16 1m9x s MET 10 CO 0.19 -0.27 0.14 0.14 -0.01 0.00 0.00 175.02 175.21 1m9x s VAL 11 N 1.86 0.09 0.15 -6.03 -7.23 0.29 -4.93 120.40 104.59 1m9x s VAL 11 Ca 0.47 -1.71 -0.25 0.00 -1.81 0.00 0.00 61.98 58.68 1m9x s VAL 11 Cb -0.18 -1.95 -0.08 0.00 0.56 0.00 0.00 36.38 34.73 1m9x s VAL 11 CO 0.18 -0.42 0.76 -2.28 -0.31 0.00 0.00 175.10 173.03 1m9x s HIS 12 N -4.01 3.89 -0.01 2.82 5.65 -1.26 -0.78 115.29 121.58 1m9x s HIS 12 Ca 0.21 1.59 0.05 0.00 0.25 0.00 0.00 55.06 57.16 1m9x s HIS 12 Cb 0.06 -2.75 -0.01 0.00 -1.18 0.00 0.00 32.58 28.70 1m9x s HIS 12 CO 0.01 0.51 -0.17 -1.14 -0.65 0.00 0.00 174.74 173.30 1m9x s GLN 13 N -1.06 1.37 0.69 2.88 0.74 -0.08 -4.94 119.66 119.25 1m9x s GLN 13 Ca 0.35 -0.59 -0.15 0.00 0.05 0.00 0.00 55.36 55.02 1m9x s GLN 13 Cb -0.23 -1.31 0.02 0.00 1.10 0.00 0.00 33.01 32.59 1m9x s GLN 13 CO 0.25 0.35 1.15 0.00 -0.55 0.00 0.00 175.29 176.50 1m9x s ALA 14 N -0.37 2.31 0.27 1.58 0.00 -1.26 0.89 121.76 125.18 1m9x s ALA 14 Ca 0.06 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 1m9x s ALA 14 Cb -0.07 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 1m9x s ALA 14 CO -0.01 -1.54 1.44 -1.50 0.00 0.00 0.00 175.76 174.15 1m9x s ILE 15 N -2.17 2.59 0.14 0.00 2.07 -1.26 -4.47 121.20 118.09 1m9x s ILE 15 Ca 0.70 0.51 -0.31 0.00 -1.41 0.00 0.00 60.65 60.15 1m9x s ILE 15 Cb -0.24 -3.33 -0.08 0.00 0.13 0.00 0.00 42.46 38.94 1m9x s ILE 15 CO 0.43 0.09 1.32 -0.55 -1.91 0.00 0.00 174.94 174.32 1m9x s SER 16 N 0.22 6.90 0.39 4.50 0.15 -1.26 -4.91 113.70 119.69 1m9x s SER 16 Ca 0.58 2.30 0.10 0.00 0.70 0.00 0.00 55.95 59.63 1m9x s SER 16 Cb -0.42 -2.59 0.78 0.00 -1.71 0.00 0.00 66.02 62.07 1m9x s SER 16 CO 0.46 -0.57 1.90 1.55 1.20 0.00 0.00 173.24 177.78 1m9x h PRO 17 N 6.21 0.17 -0.74 5.44 0.14 -1.99 -0.21 132.00 141.01 1m9x h PRO 17 Ca -0.43 -0.04 -0.06 0.00 0.14 0.00 0.00 66.00 65.60 1m9x h PRO 17 Cb 1.21 -0.02 -0.03 0.00 0.14 0.00 0.00 31.00 32.30 1m9x h PRO 17 CO 0.82 0.37 0.23 0.00 0.14 0.00 0.00 178.00 179.56 1m9x h ARG 18 N 0.16 1.16 -0.28 0.86 3.08 -1.98 0.22 114.38 117.59 1m9x h ARG 18 Ca 0.03 -0.25 -0.18 0.00 0.07 0.00 0.00 59.98 59.65 1m9x h ARG 18 Cb 0.44 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1m9x h ARG 18 CO 0.03 0.99 -0.53 1.15 -1.07 0.00 0.00 179.97 180.54 1m9x h THR 19 N 1.11 1.28 -0.39 2.04 2.02 -1.83 -1.11 112.91 116.02 1m9x h THR 19 Ca 0.24 -1.72 0.05 0.00 0.77 0.00 0.00 66.41 65.75 1m9x h THR 19 Cb 0.31 1.62 -0.05 0.00 -1.74 0.00 0.00 68.15 68.29 1m9x h THR 19 CO -0.01 0.56 0.11 -0.07 0.37 0.00 0.00 175.52 176.48 1m9x h LEU 20 N 0.64 0.09 -1.24 2.58 3.38 -0.67 -1.59 115.31 118.50 1m9x h LEU 20 Ca 0.02 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1m9x h LEU 20 Cb 1.13 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1m9x h LEU 20 CO 0.12 0.09 -0.06 0.78 0.09 0.00 0.00 178.44 179.45 1m9x h ASN 21 N 0.26 0.42 0.05 -0.43 2.35 -0.42 -0.00 115.58 117.81 1m9x h ASN 21 Ca 0.18 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 1m9x h ASN 21 Cb 0.19 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1m9x h ASN 21 CO -0.21 0.53 -0.28 0.00 -1.65 0.00 0.00 177.43 175.82 1m9x h ALA 22 N 1.52 1.17 -0.31 -0.83 0.00 -0.46 -1.94 119.26 118.40 1m9x h ALA 22 Ca 0.09 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1m9x h ALA 22 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1m9x h ALA 22 CO 0.02 0.53 -0.46 2.35 0.00 0.00 0.00 179.25 181.70 1m9x h TRP 23 N 0.32 1.06 -0.62 0.00 2.91 -0.44 -1.42 115.95 117.76 1m9x h TRP 23 Ca 0.05 -0.35 0.13 0.00 1.13 0.00 0.00 58.89 59.84 1m9x h TRP 23 Cb 0.67 -0.21 -0.10 0.00 -0.51 0.00 0.00 29.16 29.01 1m9x h TRP 23 CO 0.02 1.17 0.06 0.28 -1.03 0.00 0.00 178.44 178.94 1m9x h VAL 24 N 0.64 0.55 -0.51 2.65 2.07 -0.81 -2.11 116.25 118.73 1m9x h VAL 24 Ca 0.03 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 1m9x h VAL 24 Cb 1.06 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1m9x h VAL 24 CO 0.11 0.03 -0.08 0.11 0.02 0.00 0.00 177.57 177.76 1m9x h LYS 25 N 0.18 0.92 -0.26 1.57 1.79 -1.10 -0.78 116.57 118.89 1m9x h LYS 25 Ca 0.33 -0.31 0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1m9x h LYS 25 Cb 0.52 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1m9x h LYS 25 CO -0.48 0.96 0.12 0.28 -1.08 0.00 0.00 179.45 179.24 1m9x h VAL 26 N 0.83 0.97 -0.05 0.50 2.07 -0.77 -1.40 116.25 118.40 1m9x h VAL 26 Ca 0.14 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 1m9x h VAL 26 Cb 0.60 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1m9x h VAL 26 CO 0.04 0.05 -0.44 0.58 0.02 0.00 0.00 177.57 177.81 1m9x h VAL 27 N 0.25 1.32 -0.53 2.57 2.07 -1.16 -0.36 116.25 120.41 1m9x h VAL 27 Ca 0.11 -1.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.00 1m9x h VAL 27 Cb 0.05 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1m9x h VAL 27 CO -0.09 0.46 0.09 -0.33 0.02 0.00 0.00 177.57 177.72 1m9x h GLU 28 N 0.10 0.84 0.09 1.57 5.08 -0.76 0.46 114.58 121.96 1m9x h GLU 28 Ca 0.01 -0.19 -0.25 0.00 -1.00 0.00 0.00 59.36 57.92 1m9x h GLU 28 Cb 0.83 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1m9x h GLU 28 CO 0.06 0.79 -1.30 1.49 -1.00 0.00 0.00 179.01 179.05 1m9x h GLU 29 N 0.80 0.19 -0.01 2.33 4.57 -0.98 -3.40 114.58 118.08 1m9x h GLU 29 Ca 0.17 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1m9x h GLU 29 Cb 0.36 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1m9x h GLU 29 CO 0.01 1.15 -0.20 1.63 -1.18 0.00 0.00 179.01 180.42 1m9x n LYS 30 N -4.04 1.83 0.00 1.92 5.02 -0.17 -5.07 118.16 117.65 1m9x n LYS 30 Ca -0.25 -0.72 0.00 0.00 -2.02 0.00 0.00 58.31 55.32 1m9x n LYS 30 Cb 0.84 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 1m9x n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m9x n ALA 31 N -0.11 0.00 -2.10 7.82 0.00 0.15 -2.20 120.51 124.07 1m9x n ALA 31 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 1m9x n ALA 31 Cb 0.24 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.71 1m9x n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1m9x n PHE 32 N 14.00 2.99 -1.71 0.00 3.72 -1.26 -4.54 117.46 130.65 1m9x n PHE 32 Ca 0.00 -2.54 -0.36 0.00 -0.05 0.00 0.00 57.45 54.50 1m9x n PHE 32 Cb 0.00 -0.38 0.07 0.00 -0.94 0.00 0.00 39.48 38.23 1m9x n PHE 32 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1m9x s SER 33 N -3.36 4.65 0.54 4.37 0.15 -0.93 -4.25 113.70 114.87 1m9x s SER 33 Ca 0.51 2.43 0.27 0.00 0.70 0.00 0.00 55.95 59.87 1m9x s SER 33 Cb 0.42 -2.60 1.44 0.00 -1.71 0.00 0.00 66.02 63.57 1m9x s SER 33 CO -0.05 -1.96 1.97 -0.65 1.20 0.00 0.00 173.24 173.75 1m9x h PRO 34 N 0.33 0.00 -1.17 5.44 0.11 -1.85 -0.88 132.00 133.97 1m9x h PRO 34 Ca -0.49 0.00 0.33 0.00 0.11 0.00 0.00 66.00 65.95 1m9x h PRO 34 Cb 1.31 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.35 1m9x h PRO 34 CO 0.52 0.00 0.82 0.93 -0.21 0.00 0.00 178.00 180.07 1m9x h GLU 35 N 0.00 0.10 0.00 1.05 3.07 -1.96 -2.45 114.58 114.39 1m9x h GLU 35 Ca 0.28 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 1m9x h GLU 35 Cb 1.16 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1m9x h GLU 35 CO -0.00 0.06 -0.05 -0.24 -1.40 0.00 0.00 179.01 177.38 1m9x h VAL 36 N 0.10 0.12 0.62 3.13 3.04 -1.49 -3.27 116.25 118.50 1m9x h VAL 36 Ca 0.59 -0.79 -0.03 0.00 -1.01 0.00 0.00 66.70 65.46 1m9x h VAL 36 Cb 2.13 1.70 0.01 0.00 -2.01 0.00 0.00 31.29 33.12 1m9x h VAL 36 CO -0.10 0.05 -0.30 0.40 -1.01 0.00 0.00 177.57 176.62 1m9x h ILE 37 N 0.00 0.29 -0.12 3.17 2.04 -1.63 0.54 117.51 121.80 1m9x h ILE 37 Ca -0.00 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.65 1m9x h ILE 37 Cb 0.70 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1m9x h ILE 37 CO 0.01 0.03 0.10 1.55 0.00 0.00 0.00 178.15 179.84 1m9x h PRO 38 N -1.01 0.00 -0.12 2.37 0.13 -1.77 -2.10 132.00 129.49 1m9x h PRO 38 Ca -0.09 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.93 1m9x h PRO 38 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1m9x h PRO 38 CO 0.14 0.00 -0.37 0.52 -0.23 0.00 0.00 178.00 178.06 1m9x h MET 39 N 0.00 0.46 -0.46 0.86 2.86 -1.45 -1.04 114.93 116.16 1m9x h MET 39 Ca 0.06 -0.33 0.08 0.00 -2.06 0.00 0.00 59.70 57.45 1m9x h MET 39 Cb 0.27 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.91 1m9x h MET 39 CO -0.00 0.95 0.05 0.35 1.06 0.00 0.00 176.91 179.32 1m9x h PHE 40 N 0.05 0.07 -0.67 -0.22 3.57 -0.68 -0.77 116.94 118.29 1m9x h PHE 40 Ca -0.01 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1m9x h PHE 40 Cb 0.99 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1m9x h PHE 40 CO 0.11 -0.05 0.42 1.03 -2.23 0.00 0.00 178.31 177.59 1m9x h SER 41 N 0.17 0.67 -0.08 0.41 0.87 -1.22 -2.72 113.55 111.65 1m9x h SER 41 Ca 0.23 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.68 1m9x h SER 41 Cb 0.32 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1m9x h SER 41 CO -0.34 0.46 -0.33 0.00 -0.53 0.00 0.00 176.83 176.09 1m9x h ALA 42 N 1.30 0.93 0.00 6.23 0.00 -0.61 -2.82 119.26 124.28 1m9x h ALA 42 Ca 0.27 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1m9x h ALA 42 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1m9x h ALA 42 CO -0.11 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.03 1m9x n LEU 43 N -4.07 0.00 -0.31 0.00 4.77 -0.35 -4.08 117.00 112.97 1m9x n LEU 43 Ca -0.01 0.24 0.08 0.00 -0.03 0.00 0.00 56.01 56.29 1m9x n LEU 43 Cb 0.47 -0.24 0.17 0.00 -2.33 0.00 0.00 43.42 41.49 1m9x n LEU 43 CO 0.44 -0.00 0.51 -1.54 -1.33 0.00 0.00 177.39 175.47 1m9x n SER 44 N -1.24 2.20 -4.69 -1.43 3.41 -1.04 -4.99 113.62 105.84 1m9x n SER 44 Ca 0.16 -3.38 -0.45 0.00 -0.26 0.00 0.00 58.87 54.94 1m9x n SER 44 Cb 0.22 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 1m9x n SER 44 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1m9x n GLU 45 N -1.29 2.39 -0.99 4.33 -0.58 -1.23 -1.75 120.64 121.51 1m9x n GLU 45 Ca 0.18 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.78 1m9x n GLU 45 Cb 0.68 -2.67 0.00 0.00 -0.57 0.00 0.00 31.44 28.88 1m9x n GLU 45 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1m9x n GLY 46 N 3.69 0.34 3.77 0.62 0.00 -1.26 -4.84 105.19 107.51 1m9x n GLY 46 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1m9x n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9x s ALA 47 N -1.71 3.55 0.69 4.61 0.00 -0.72 -1.40 121.76 126.78 1m9x s ALA 47 Ca 0.00 1.43 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 1m9x s ALA 47 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1m9x s ALA 47 CO 0.00 -0.86 1.07 0.95 0.00 0.00 0.00 175.76 176.91 1m9x s THR 48 N -1.02 3.97 0.31 0.00 -4.23 -1.26 -4.40 115.64 109.01 1m9x s THR 48 Ca 0.52 0.64 0.05 0.00 -1.18 0.00 0.00 61.69 61.72 1m9x s THR 48 Cb -0.43 -3.53 0.30 0.00 1.34 0.00 0.00 72.50 70.18 1m9x s THR 48 CO 0.57 -0.84 1.83 -0.65 -0.54 0.00 0.00 174.62 174.99 1m9x h PRO 49 N -0.62 0.81 -0.08 3.99 0.11 -1.85 -1.33 132.00 133.01 1m9x h PRO 49 Ca -0.45 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1m9x h PRO 49 Cb 1.22 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1m9x h PRO 49 CO 0.61 0.53 -0.03 0.37 -0.21 0.00 0.00 178.00 179.27 1m9x h GLN 50 N 0.83 -0.01 -0.55 1.05 4.15 -1.92 -0.50 115.11 118.16 1m9x h GLN 50 Ca 0.51 0.00 0.08 0.00 0.77 0.00 0.00 58.65 60.01 1m9x h GLN 50 Cb 0.70 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.33 1m9x h GLN 50 CO -0.28 -0.01 0.19 -0.44 -1.93 0.00 0.00 178.83 176.36 1m9x h ASP 51 N -0.01 0.17 -0.48 -0.69 3.32 -1.67 -1.44 116.42 115.62 1m9x h ASP 51 Ca 0.04 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.20 1m9x h ASP 51 Cb 0.08 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1m9x h ASP 51 CO -0.09 0.12 0.25 -0.07 -1.72 0.00 0.00 179.24 177.72 1m9x h LEU 52 N 0.36 0.37 -1.09 1.55 3.38 -0.85 -0.45 115.31 118.58 1m9x h LEU 52 Ca 0.27 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 1m9x h LEU 52 Cb 0.32 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1m9x h LEU 52 CO -0.29 0.26 -0.29 0.78 0.09 0.00 0.00 178.44 178.99 1m9x h ASN 53 N 0.49 0.28 -0.43 -0.43 2.35 -0.89 -2.09 115.58 114.86 1m9x h ASN 53 Ca 0.21 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 1m9x h ASN 53 Cb 0.10 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1m9x h ASN 53 CO -0.14 0.57 -0.09 0.74 -1.65 0.00 0.00 177.43 176.86 1m9x h THR 54 N 0.24 1.27 -0.62 2.81 2.02 -0.52 0.11 112.91 118.22 1m9x h THR 54 Ca 0.04 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 1m9x h THR 54 Cb 0.65 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1m9x h THR 54 CO 0.05 0.40 0.35 0.24 0.37 0.00 0.00 175.52 176.93 1m9x h MET 55 N 0.65 0.87 -0.06 6.66 2.86 -0.79 -2.40 114.93 122.71 1m9x h MET 55 Ca 0.11 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 1m9x h MET 55 Cb 0.62 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1m9x h MET 55 CO 0.04 0.65 -0.43 -0.07 1.06 0.00 0.00 176.91 178.17 1m9x h LEU 56 N 0.85 0.15 0.00 1.22 3.38 -1.10 -2.86 115.31 116.94 1m9x h LEU 56 Ca 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1m9x h LEU 56 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1m9x h LEU 56 CO -0.04 0.56 0.00 0.59 0.09 0.00 0.00 178.44 179.64 1m9x n ASN 57 N -4.02 0.00 -0.08 -0.43 3.02 0.34 -2.42 115.26 111.67 1m9x n ASN 57 Ca -0.02 0.26 0.13 0.00 -0.03 0.00 0.00 54.58 54.93 1m9x n ASN 57 Cb 0.47 -0.42 0.48 0.00 -0.61 0.00 0.00 39.78 39.71 1m9x n ASN 57 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1m9x n THR 58 N -1.42 0.00 -2.02 3.41 -2.24 -0.98 -4.81 114.28 106.22 1m9x n THR 58 Ca 0.09 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 1m9x n THR 58 Cb 0.29 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 1m9x n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1m9x s VAL 59 N -2.72 3.43 0.03 2.28 1.01 -1.02 -4.95 120.40 118.46 1m9x s VAL 59 Ca 0.20 0.71 -0.13 0.00 0.00 0.00 0.00 61.98 62.76 1m9x s VAL 59 Cb 0.19 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 1m9x s VAL 59 CO 0.55 -0.03 0.40 -0.83 0.00 0.00 0.00 175.10 175.19 1m9x s GLY 60 N 2.77 2.43 0.00 4.51 0.00 -1.26 -4.96 107.32 110.81 1m9x s GLY 60 Ca 0.72 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.17 1m9x s GLY 60 CO 0.30 0.04 0.00 0.61 0.00 0.00 0.00 173.10 174.05 1m9x n GLY 61 N 1.52 -0.85 4.21 0.20 0.00 -1.26 -4.92 105.19 104.08 1m9x n GLY 61 Ca -0.12 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 1m9x n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m9x n HIS 62 N 0.00 -1.54 -0.21 1.61 -0.00 -1.26 -4.85 115.22 108.97 1m9x n HIS 62 Ca 0.00 0.73 -0.02 0.00 -0.00 0.00 0.00 57.72 58.43 1m9x n HIS 62 Cb 0.00 -3.00 0.18 0.00 -0.00 0.00 0.00 29.99 27.17 1m9x n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1m9x h GLN 63 N -1.57 1.00 -0.28 -0.41 7.50 -1.98 -0.27 115.11 119.09 1m9x h GLN 63 Ca -0.62 -0.13 -0.13 0.00 0.50 0.00 0.00 58.65 58.27 1m9x h GLN 63 Cb 1.39 -0.19 -0.00 0.00 0.05 0.00 0.00 27.48 28.72 1m9x h GLN 63 CO 0.74 0.77 -0.33 0.00 -1.50 0.00 0.00 178.83 178.51 1m9x h ALA 64 N 1.38 0.42 -0.51 3.87 0.00 -2.00 -1.40 119.26 121.02 1m9x h ALA 64 Ca 0.24 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1m9x h ALA 64 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1m9x h ALA 64 CO -0.03 0.47 0.30 0.00 0.00 0.00 0.00 179.25 179.99 1m9x h ALA 65 N 0.69 0.64 -0.46 0.00 0.00 -1.83 -1.12 119.26 117.19 1m9x h ALA 65 Ca 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1m9x h ALA 65 Cb 0.91 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1m9x h ALA 65 CO 0.08 0.13 0.07 0.52 0.00 0.00 0.00 179.25 180.05 1m9x h MET 66 N 0.68 0.71 -0.26 0.00 2.07 -0.72 0.48 114.93 117.88 1m9x h MET 66 Ca 0.18 -0.15 -0.10 0.00 -2.07 0.00 0.00 59.70 57.56 1m9x h MET 66 Cb -0.01 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 29.61 1m9x h MET 66 CO -0.03 0.67 -0.24 1.96 1.07 0.00 0.00 176.91 180.34 1m9x h GLN 67 N 0.68 0.62 -0.60 1.72 1.08 -0.94 -0.57 115.11 117.11 1m9x h GLN 67 Ca 0.15 -0.32 -0.03 0.00 -1.45 0.00 0.00 58.65 56.99 1m9x h GLN 67 Cb 0.32 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1m9x h GLN 67 CO 0.00 0.92 0.25 1.98 -0.95 0.00 0.00 178.83 181.04 1m9x h MET 68 N 0.34 0.89 -0.30 1.46 4.05 -0.89 -0.10 114.93 120.38 1m9x h MET 68 Ca 0.04 -0.15 0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1m9x h MET 68 Cb 0.80 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 1m9x h MET 68 CO 0.06 0.75 0.19 1.25 0.23 0.00 0.00 176.91 179.39 1m9x h LEU 69 N 0.83 0.33 -0.85 3.39 5.85 -0.72 -0.34 115.31 123.79 1m9x h LEU 69 Ca 0.20 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1m9x h LEU 69 Cb 0.18 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1m9x h LEU 69 CO -0.02 0.24 0.56 0.50 -0.34 0.00 0.00 178.44 179.39 1m9x h LYS 70 N 0.40 1.11 -0.26 1.25 3.64 -0.71 -1.11 116.57 120.89 1m9x h LYS 70 Ca 0.11 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1m9x h LYS 70 Cb -0.04 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.51 1m9x h LYS 70 CO -0.03 0.74 0.14 1.49 -2.27 0.00 0.00 179.45 179.51 1m9x h GLU 71 N 1.15 0.28 -0.87 1.90 4.57 -0.52 -0.36 114.58 120.73 1m9x h GLU 71 Ca 0.31 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1m9x h GLU 71 Cb -0.12 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.36 1m9x h GLU 71 CO -0.07 0.19 0.54 1.15 -1.18 0.00 0.00 179.01 179.64 1m9x h THR 72 N 0.29 1.23 -0.24 0.32 2.02 -0.52 -1.42 112.91 114.59 1m9x h THR 72 Ca 0.10 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 66.83 1m9x h THR 72 Cb 0.01 -0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.39 1m9x h THR 72 CO -0.06 0.24 0.06 0.40 0.37 0.00 0.00 175.52 176.53 1m9x h ILE 73 N 1.18 0.90 -0.50 3.11 2.04 -1.03 -1.29 117.51 121.92 1m9x h ILE 73 Ca 0.31 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 66.06 1m9x h ILE 73 Cb -0.08 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1m9x h ILE 73 CO -0.06 0.03 0.06 0.78 0.00 0.00 0.00 178.15 178.96 1m9x h ASN 74 N 0.15 0.75 -0.53 1.72 -0.26 -0.61 0.27 115.58 117.08 1m9x h ASN 74 Ca 0.11 -0.16 0.06 0.00 -0.56 0.00 0.00 56.30 55.76 1m9x h ASN 74 Cb 0.10 -0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 37.11 1m9x h ASN 74 CO -0.14 0.78 0.23 -0.33 -1.06 0.00 0.00 177.43 176.91 1m9x h GLU 75 N 0.76 0.42 -0.46 0.81 5.08 -0.77 -0.38 114.58 120.05 1m9x h GLU 75 Ca 0.16 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1m9x h GLU 75 Cb 0.37 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1m9x h GLU 75 CO 0.01 0.28 -0.06 0.93 -1.00 0.00 0.00 179.01 179.17 1m9x h GLU 76 N 0.44 0.80 -0.54 2.33 4.39 -0.20 -1.55 114.58 120.24 1m9x h GLU 76 Ca 0.25 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1m9x h GLU 76 Cb 0.22 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1m9x h GLU 76 CO -0.21 0.84 0.07 0.00 -1.16 0.00 0.00 179.01 178.55 1m9x h ALA 77 N 1.20 0.72 -0.43 3.43 0.00 -0.57 -0.58 119.26 123.02 1m9x h ALA 77 Ca 0.13 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1m9x h ALA 77 Cb 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1m9x h ALA 77 CO 0.03 0.48 -0.09 0.00 0.00 0.00 0.00 179.25 179.67 1m9x h ALA 78 N 0.98 1.02 -0.56 0.00 0.00 -0.89 -1.90 119.26 117.91 1m9x h ALA 78 Ca 0.16 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1m9x h ALA 78 Cb 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1m9x h ALA 78 CO 0.01 0.59 -0.09 0.93 0.00 0.00 0.00 179.25 180.70 1m9x h GLU 79 N 0.70 1.06 -0.42 0.00 4.39 -1.10 -1.11 114.58 118.10 1m9x h GLU 79 Ca 0.12 -0.38 0.03 0.00 0.34 0.00 0.00 59.36 59.47 1m9x h GLU 79 Cb 0.56 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1m9x h GLU 79 CO 0.03 1.08 0.22 2.35 -1.16 0.00 0.00 179.01 181.54 1m9x h TRP 80 N 0.94 0.41 -0.63 4.33 2.91 -0.88 -1.53 115.95 121.51 1m9x h TRP 80 Ca 0.15 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.12 1m9x h TRP 80 Cb 0.66 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.16 1m9x h TRP 80 CO 0.05 0.22 0.13 -0.44 -1.03 0.00 0.00 178.44 177.37 1m9x h ASP 81 N 0.45 0.95 -0.66 2.65 3.32 -0.98 -1.68 116.42 120.47 1m9x h ASP 81 Ca 0.18 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1m9x h ASP 81 Cb 0.06 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1m9x h ASP 81 CO -0.11 0.93 0.34 -0.09 -1.72 0.00 0.00 179.24 178.60 1m9x h ARG 82 N 0.95 0.95 -0.03 3.56 2.43 -0.68 -2.54 114.38 119.01 1m9x h ARG 82 Ca 0.20 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1m9x h ARG 82 Cb 0.37 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1m9x h ARG 82 CO 0.01 0.72 0.00 1.28 -1.51 0.00 0.00 179.97 180.46 1m9x n LEU 83 N -4.35 1.54 -3.54 3.80 4.77 -0.62 -4.59 117.00 114.00 1m9x n LEU 83 Ca 0.06 -0.53 -0.28 0.00 -0.03 0.00 0.00 56.01 55.24 1m9x n LEU 83 Cb 0.12 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.09 1m9x n LEU 83 CO 0.38 0.26 -0.25 -1.00 -1.33 0.00 0.00 177.39 175.46 1m9x s HIS 84 N -1.98 1.71 0.42 -1.77 3.76 -0.67 -5.08 115.29 111.69 1m9x s HIS 84 Ca 0.37 -2.52 -0.26 0.00 -0.15 0.00 0.00 55.06 52.51 1m9x s HIS 84 Cb 0.21 -1.42 -0.09 0.00 1.11 0.00 0.00 32.58 32.39 1m9x s HIS 84 CO 0.33 -0.76 1.35 -1.25 -0.85 0.00 0.00 174.74 173.56 1m9x s PRO 85 N -0.18 3.87 0.16 8.40 0.04 -1.26 -4.79 135.00 141.24 1m9x s PRO 85 Ca 0.28 2.25 -0.31 0.00 0.04 0.00 0.00 61.00 63.26 1m9x s PRO 85 Cb -0.03 -2.72 -0.10 0.00 0.04 0.00 0.00 34.50 31.69 1m9x s PRO 85 CO -0.16 -0.61 1.53 0.08 0.04 0.00 0.00 177.00 177.88 1m9x s VAL 86 N -1.24 2.75 -0.07 -0.36 1.01 -1.26 -5.03 120.40 116.19 1m9x s VAL 86 Ca 0.58 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 63.09 1m9x s VAL 86 Cb -0.40 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1m9x s VAL 86 CO 0.52 0.04 -0.02 0.00 0.00 0.00 0.00 175.10 175.64 1m9x s ALA 87 N 1.08 3.20 0.30 5.51 0.00 -1.26 -5.11 121.76 125.48 1m9x s ALA 87 Ca 0.68 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 51.52 1m9x s ALA 87 Cb -0.42 -1.40 -0.10 0.00 0.00 0.00 0.00 23.12 21.20 1m9x s ALA 87 CO 0.32 0.59 1.13 -1.64 0.00 0.00 0.00 175.76 176.16 1m9x s MET 88 N -0.91 4.54 0.99 0.00 -1.94 -1.26 -5.03 119.30 115.70 1m9x s MET 88 Ca 0.13 1.86 -0.13 0.00 -1.71 0.00 0.00 55.69 55.84 1m9x s MET 88 Cb -0.11 -3.11 0.18 0.00 2.01 0.00 0.00 34.83 33.80 1m9x s MET 88 CO 0.03 0.11 1.11 0.00 -0.01 0.00 0.00 175.02 176.25 1m9x s ALA 89 N -1.20 1.16 0.88 3.03 0.00 -1.26 -4.98 121.76 119.40 1m9x s ALA 89 Ca 0.46 -0.47 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 1m9x s ALA 89 Cb -0.33 -3.07 0.12 0.00 0.00 0.00 0.00 23.12 19.84 1m9x s ALA 89 CO 0.42 -2.73 1.09 -1.25 0.00 0.00 0.00 175.76 173.29 1m9x s PRO 90 N -5.09 1.39 -0.17 0.00 0.04 -1.26 -5.19 135.00 124.71 1m9x s PRO 90 Ca 0.65 1.03 -0.07 0.00 0.04 0.00 0.00 61.00 62.65 1m9x s PRO 90 Cb -0.17 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1m9x s PRO 90 CO 0.56 -2.21 0.06 -1.50 0.04 0.00 0.00 177.00 173.95 1m9x s ILE 91 N -2.85 4.80 0.34 0.56 1.10 -1.26 -5.11 121.20 118.79 1m9x s ILE 91 Ca 0.63 -0.03 -0.07 0.00 -0.51 0.00 0.00 60.65 60.67 1m9x s ILE 91 Cb -0.19 -3.15 -0.06 0.00 0.15 0.00 0.00 42.46 39.22 1m9x s ILE 91 CO 0.57 0.48 0.65 0.00 -2.11 0.00 0.00 174.94 174.53 1m9x s ALA 92 N 0.22 3.51 0.31 1.50 0.00 -1.26 -5.01 121.76 121.03 1m9x s ALA 92 Ca 0.04 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 1m9x s ALA 92 Cb -0.12 -2.46 -0.11 0.00 0.00 0.00 0.00 23.12 20.43 1m9x s ALA 92 CO 0.00 0.11 1.50 -2.14 0.00 0.00 0.00 175.76 175.24 1m9x s PRO 93 N -3.74 4.17 0.00 0.00 0.02 -1.26 -1.00 135.00 133.18 1m9x s PRO 93 Ca 0.47 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1m9x s PRO 93 Cb -0.10 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1m9x s PRO 93 CO 0.31 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 1m9x n GLY 94 N 1.50 1.36 3.76 0.52 0.00 -1.26 -5.01 105.19 106.06 1m9x n GLY 94 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1m9x n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m9x s GLN 95 N -0.44 2.25 0.06 1.61 -0.21 -0.17 -5.07 119.66 117.69 1m9x s GLN 95 Ca 0.00 -1.86 0.09 0.00 0.02 0.00 0.00 55.36 53.61 1m9x s GLN 95 Cb 0.00 -2.00 -0.03 0.00 1.00 0.00 0.00 33.01 31.98 1m9x s GLN 95 CO 0.00 -0.18 -0.25 -1.64 -2.12 0.00 0.00 175.29 171.10 1m9x s MET 96 N -3.95 1.75 0.51 2.91 -1.94 -1.26 -4.82 119.30 112.50 1m9x s MET 96 Ca 0.40 -1.15 -0.22 0.00 -1.71 0.00 0.00 55.69 53.00 1m9x s MET 96 Cb 0.03 -1.99 -0.07 0.00 2.01 0.00 0.00 34.83 34.81 1m9x s MET 96 CO 0.22 0.50 1.21 2.89 -0.01 0.00 0.00 175.02 179.84 1m9x n ARG 97 N 1.55 1.55 -2.47 2.03 1.85 -1.26 -4.95 116.66 114.96 1m9x n ARG 97 Ca -0.17 0.57 -0.42 0.00 -1.00 0.00 0.00 57.85 56.83 1m9x n ARG 97 Cb 0.52 -2.38 -0.03 0.00 -1.05 0.00 0.00 32.46 29.52 1m9x n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1m9x s GLU 98 N -2.59 4.50 0.34 2.89 0.41 -1.26 -4.99 118.70 118.00 1m9x s GLU 98 Ca 0.69 1.74 -0.27 0.00 -0.41 0.00 0.00 54.97 56.72 1m9x s GLU 98 Cb -0.45 -3.32 -0.09 0.00 -1.78 0.00 0.00 34.13 28.48 1m9x s GLU 98 CO 0.52 -0.12 1.06 -1.25 -0.49 0.00 0.00 175.26 174.97 1m9x s PRO 99 N 0.48 4.41 0.62 0.39 0.04 -1.26 -5.05 135.00 134.62 1m9x s PRO 99 Ca 0.55 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 1m9x s PRO 99 Cb -0.29 -2.85 0.05 0.00 0.04 0.00 0.00 34.50 31.45 1m9x s PRO 99 CO 0.32 0.05 0.87 1.03 0.04 0.00 0.00 177.00 179.31 1m9x s ARG 100 N -1.98 2.35 0.23 4.56 1.81 -1.26 -4.92 118.95 119.74 1m9x s ARG 100 Ca 0.51 -0.65 -0.08 0.00 -1.72 0.00 0.00 55.73 53.79 1m9x s ARG 100 Cb -0.26 -2.37 0.38 0.00 -0.45 0.00 0.00 34.95 32.25 1m9x s ARG 100 CO 0.33 -0.95 1.67 0.78 -0.68 0.00 0.00 175.30 176.45 1m9x h GLY 101 N -0.20 0.82 2.00 -3.53 0.00 -1.92 -0.24 103.07 100.00 1m9x h GLY 101 Ca -0.42 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1m9x h GLY 101 CO 0.54 -0.21 -0.22 1.48 0.00 0.00 0.00 176.54 178.12 1m9x h SER 102 N 0.17 0.00 -0.13 0.19 4.64 -1.94 -1.87 113.55 114.61 1m9x h SER 102 Ca 0.37 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.49 1m9x h SER 102 Cb 0.62 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1m9x h SER 102 CO -0.54 0.22 -0.69 0.44 -0.87 0.00 0.00 176.83 175.39 1m9x h ASP 103 N 0.00 0.84 -0.50 4.97 3.32 -1.40 -1.66 116.42 122.00 1m9x h ASP 103 Ca -0.00 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1m9x h ASP 103 Cb 0.48 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1m9x h ASP 103 CO 0.03 1.34 0.33 0.40 -1.72 0.00 0.00 179.24 179.61 1m9x h ILE 104 N 0.39 1.13 0.00 0.35 2.04 -1.03 -1.69 117.51 118.70 1m9x h ILE 104 Ca -0.05 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1m9x h ILE 104 Cb 1.33 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1m9x h ILE 104 CO 0.14 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.42 1m9x n ALA 105 N -2.24 2.02 -0.41 1.87 0.00 -0.73 -4.68 120.51 116.34 1m9x n ALA 105 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1m9x n ALA 105 Cb 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1m9x n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9x n GLY 106 N 0.26 1.96 0.26 0.00 0.00 -0.63 -4.90 105.19 102.13 1m9x n GLY 106 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 1m9x n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m9x h THR 107 N 0.00 0.99 -0.14 2.61 2.02 -1.56 -3.20 112.91 113.63 1m9x h THR 107 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1m9x h THR 107 Cb 0.00 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1m9x h THR 107 CO 0.00 0.13 0.00 0.35 0.37 0.00 0.00 175.52 176.37 1m9x n THR 108 N -4.77 1.23 -4.56 3.16 -2.24 -1.06 -5.00 114.28 101.03 1m9x n THR 108 Ca 0.08 -1.24 -0.30 0.00 -2.27 0.00 0.00 64.05 60.33 1m9x n THR 108 Cb 0.16 0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 68.59 1m9x n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1m9x s SER 109 N -1.32 3.44 0.58 3.42 1.04 -1.21 -4.84 113.70 114.81 1m9x s SER 109 Ca 0.15 -0.63 -0.07 0.00 0.48 0.00 0.00 55.95 55.89 1m9x s SER 109 Cb 0.11 -0.35 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 1m9x s SER 109 CO 0.06 0.21 0.91 0.42 0.98 0.00 0.00 173.24 175.83 1m9x s THR 110 N -0.98 4.18 0.16 2.02 -4.23 -1.26 -4.83 115.64 110.69 1m9x s THR 110 Ca 0.14 0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.76 1m9x s THR 110 Cb -0.10 -3.65 0.04 0.00 1.34 0.00 0.00 72.50 70.13 1m9x s THR 110 CO 0.05 -0.71 1.77 0.25 -0.54 0.00 0.00 174.62 175.44 1m9x h LEU 111 N -0.14 0.23 -0.86 4.79 5.85 -1.99 -1.29 115.31 121.89 1m9x h LEU 111 Ca -0.46 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.38 1m9x h LEU 111 Cb 1.23 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 1m9x h LEU 111 CO 0.62 0.17 0.52 1.56 -0.34 0.00 0.00 178.44 180.97 1m9x h GLN 112 N 0.36 0.89 -0.22 1.25 1.08 -1.99 -0.13 115.11 116.35 1m9x h GLN 112 Ca 0.18 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1m9x h GLN 112 Cb 0.12 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1m9x h GLN 112 CO -0.15 0.59 0.14 0.93 -0.95 0.00 0.00 178.83 179.39 1m9x h GLU 113 N 0.91 0.29 -0.58 1.46 5.08 -1.81 -0.68 114.58 119.25 1m9x h GLU 113 Ca 0.40 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.81 1m9x h GLU 113 Cb 0.27 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1m9x h GLU 113 CO -0.21 0.20 0.26 1.96 -1.00 0.00 0.00 179.01 180.22 1m9x h GLN 114 N 0.29 0.47 -0.86 2.33 4.20 -0.44 0.07 115.11 121.17 1m9x h GLN 114 Ca 0.08 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1m9x h GLN 114 Cb -0.02 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 1m9x h GLN 114 CO -0.02 0.31 0.48 0.82 -0.67 0.00 0.00 178.83 179.75 1m9x h ILE 115 N 0.48 1.25 -0.29 2.54 2.04 -0.89 -0.99 117.51 121.64 1m9x h ILE 115 Ca 0.27 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1m9x h ILE 115 Cb 0.26 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1m9x h ILE 115 CO -0.23 0.27 0.17 1.23 0.00 0.00 0.00 178.15 179.59 1m9x h GLY 116 N 1.19 0.43 1.00 5.37 0.00 -0.37 -0.63 103.07 110.05 1m9x h GLY 116 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1m9x h GLY 116 CO -0.05 0.18 0.18 1.49 0.00 0.00 0.00 176.54 178.34 1m9x h TRP 117 N 0.36 0.35 0.00 5.60 6.55 -0.68 -1.60 115.95 126.54 1m9x h TRP 117 Ca 0.10 0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.91 1m9x h TRP 117 Cb 0.04 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.22 1m9x h TRP 117 CO -0.04 0.23 -0.20 0.52 -1.05 0.00 0.00 178.44 177.90 1m9x h MET 118 N 0.37 0.00 -0.09 0.49 2.86 -0.77 -0.52 114.93 117.26 1m9x h MET 118 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1m9x h MET 118 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1m9x h MET 118 CO -0.02 0.20 0.00 0.25 1.06 0.00 0.00 176.91 178.40 1m9x n THR 119 N -3.67 0.24 -0.89 2.22 -2.24 -0.28 -4.73 114.28 104.93 1m9x n THR 119 Ca -0.01 -0.62 -0.29 0.00 -2.27 0.00 0.00 64.05 60.86 1m9x n THR 119 Cb 0.32 1.05 0.23 0.00 -2.10 0.00 0.00 70.33 69.83 1m9x n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1m9x s HIS 120 N -0.93 1.26 -0.30 4.78 5.04 -0.60 -4.87 115.29 119.67 1m9x s HIS 120 Ca 0.15 0.88 -0.03 0.00 -1.54 0.00 0.00 55.06 54.51 1m9x s HIS 120 Cb 0.10 -3.22 0.10 0.00 0.04 0.00 0.00 32.58 29.60 1m9x s HIS 120 CO 0.14 -3.64 0.14 1.21 -2.34 0.00 0.00 174.74 170.25 1m9x s ASN 121 N -3.25 3.53 0.62 9.88 3.04 -1.26 -1.83 114.94 125.67 1m9x s ASN 121 Ca 0.68 -1.43 -0.09 0.00 0.04 0.00 0.00 52.86 52.05 1m9x s ASN 121 Cb -0.18 -0.41 -0.01 0.00 -1.54 0.00 0.00 41.25 39.11 1m9x s ASN 121 CO 0.59 -0.42 0.99 -2.16 -3.04 0.00 0.00 177.10 173.06 1m9x s PRO 122 N 1.93 3.23 0.52 0.43 0.04 -1.26 -5.16 135.00 134.72 1m9x s PRO 122 Ca 0.10 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 61.46 1m9x s PRO 122 Cb -0.17 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 1m9x s PRO 122 CO -0.31 -0.69 0.92 -1.25 0.04 0.00 0.00 177.00 175.71 1m9x s PRO 123 N -5.14 3.74 -0.36 0.56 0.04 -0.76 -5.02 135.00 128.06 1m9x s PRO 123 Ca 0.55 0.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.22 1m9x s PRO 123 Cb -0.11 -2.21 0.08 0.00 0.04 0.00 0.00 34.50 32.30 1m9x s PRO 123 CO 0.50 -0.30 0.12 0.42 0.04 0.00 0.00 177.00 177.78 1m9x s ILE 124 N -2.76 3.27 -1.30 0.56 1.09 -0.22 -5.00 121.20 116.85 1m9x s ILE 124 Ca 0.54 -1.67 -0.14 0.00 -1.10 0.00 0.00 60.65 58.29 1m9x s ILE 124 Cb -0.10 -3.05 -0.04 0.00 -1.06 0.00 0.00 42.46 38.20 1m9x s ILE 124 CO 0.41 -0.40 2.31 -0.81 -0.10 0.00 0.00 174.94 176.35 1m9x n PRO 125 N 4.64 2.68 0.17 2.79 -0.04 -1.26 -3.47 135.00 140.51 1m9x n PRO 125 Ca -0.08 -2.25 0.03 0.00 -0.04 0.00 0.00 63.50 61.17 1m9x n PRO 125 Cb 0.43 -3.03 0.42 0.00 -0.04 0.00 0.00 33.50 31.28 1m9x n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1m9x h VAL 126 N 3.83 1.18 -0.44 0.52 -1.51 -1.91 -0.68 116.25 117.25 1m9x h VAL 126 Ca 0.60 -0.86 -0.04 0.00 -1.23 0.00 0.00 66.70 65.17 1m9x h VAL 126 Cb 0.52 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 1m9x h VAL 126 CO 1.84 0.25 0.10 1.23 -1.23 0.00 0.00 177.57 179.76 1m9x h GLY 127 N 0.77 0.76 1.09 5.19 0.00 -1.85 -0.45 103.07 108.58 1m9x h GLY 127 Ca 0.02 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 1m9x h GLY 127 CO 0.03 0.45 -0.16 0.83 0.00 0.00 0.00 176.54 177.69 1m9x h GLU 128 N 0.58 0.99 0.18 4.80 5.08 -1.62 -1.37 114.58 123.22 1m9x h GLU 128 Ca 0.14 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1m9x h GLU 128 Cb 0.33 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1m9x h GLU 128 CO 0.00 1.08 -0.09 0.82 -1.00 0.00 0.00 179.01 179.82 1m9x h ILE 129 N 0.85 0.86 -0.65 3.13 2.04 -1.07 -0.91 117.51 121.76 1m9x h ILE 129 Ca 0.12 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1m9x h ILE 129 Cb 0.74 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1m9x h ILE 129 CO 0.06 0.04 0.11 0.22 0.00 0.00 0.00 178.15 178.58 1m9x h TYR 130 N -0.32 1.13 -0.83 1.37 3.20 -1.06 -2.66 116.97 117.81 1m9x h TYR 130 Ca -0.02 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 61.71 1m9x h TYR 130 Cb 0.25 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 1m9x h TYR 130 CO -0.04 0.95 0.54 -0.22 -1.64 0.00 0.00 178.16 177.75 1m9x h LYS 131 N 0.98 1.07 -0.69 1.82 3.64 -1.11 0.07 116.57 122.35 1m9x h LYS 131 Ca 0.20 -0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.65 1m9x h LYS 131 Cb 0.43 -0.24 -0.10 0.00 -0.41 0.00 0.00 32.23 31.91 1m9x h LYS 131 CO 0.01 0.70 0.20 0.00 -2.27 0.00 0.00 179.45 178.10 1m9x h ARG 132 N 1.10 0.32 -0.60 1.90 3.08 -0.87 0.66 114.38 119.97 1m9x h ARG 132 Ca 0.31 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.25 1m9x h ARG 132 Cb -0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1m9x h ARG 132 CO -0.08 0.21 0.01 -1.49 -1.07 0.00 0.00 179.97 177.55 1m9x h TRP 133 N 0.33 1.15 -0.51 3.04 6.55 -0.81 -1.50 115.95 124.21 1m9x h TRP 133 Ca 0.38 -0.20 -0.02 0.00 0.95 0.00 0.00 58.89 60.00 1m9x h TRP 133 Cb 0.59 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 28.56 1m9x h TRP 133 CO -0.22 1.01 0.24 0.82 -1.05 0.00 0.00 178.44 179.24 1m9x h ILE 134 N 0.96 1.20 -0.44 1.49 2.04 -0.61 0.15 117.51 122.30 1m9x h ILE 134 Ca 0.17 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 1m9x h ILE 134 Cb 0.55 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1m9x h ILE 134 CO 0.03 0.22 -0.02 0.40 0.00 0.00 0.00 178.15 178.79 1m9x h ILE 135 N 0.68 1.24 -0.64 -0.67 2.04 -0.62 0.22 117.51 119.75 1m9x h ILE 135 Ca 0.17 -0.98 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 1m9x h ILE 135 Cb 0.14 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1m9x h ILE 135 CO -0.02 0.34 0.13 -0.07 0.00 0.00 0.00 178.15 178.54 1m9x h LEU 136 N 0.68 0.98 -0.11 1.44 3.38 -0.94 -1.08 115.31 119.65 1m9x h LEU 136 Ca 0.13 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1m9x h LEU 136 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1m9x h LEU 136 CO 0.02 0.97 0.02 1.23 0.09 0.00 0.00 178.44 180.78 1m9x h GLY 137 N 0.95 0.12 0.30 0.83 0.00 0.08 -2.67 103.07 102.68 1m9x h GLY 137 Ca 0.20 -0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.63 1m9x h GLY 137 CO 0.01 0.00 0.26 1.41 0.00 0.00 0.00 176.54 178.22 1m9x h LEU 138 N 0.07 0.25 -1.80 3.11 3.38 -0.21 -0.38 115.31 119.74 1m9x h LEU 138 Ca 0.05 0.09 0.18 0.00 0.09 0.00 0.00 57.88 58.28 1m9x h LEU 138 Cb 0.04 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1m9x h LEU 138 CO -0.07 0.13 0.49 0.78 0.09 0.00 0.00 178.44 179.87 1m9x h ASN 139 N 0.43 0.18 0.12 -0.43 2.35 -0.88 -0.64 115.58 116.73 1m9x h ASN 139 Ca 0.35 0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.87 1m9x h ASN 139 Cb 0.47 -0.02 0.03 0.00 0.05 0.00 0.00 38.32 38.84 1m9x h ASN 139 CO -0.34 0.09 -1.03 0.50 -1.65 0.00 0.00 177.43 175.00 1m9x h LYS 140 N 0.19 0.48 0.00 0.81 3.64 -0.85 -3.33 116.57 117.51 1m9x h LYS 140 Ca 0.35 -0.68 -0.04 0.00 -1.27 0.00 0.00 60.65 59.00 1m9x h LYS 140 Cb 1.09 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1m9x h LYS 140 CO -0.06 1.30 -0.20 -0.84 -2.27 0.00 0.00 179.45 177.38 1m9x h ILE 141 N -0.01 0.35 0.00 2.00 3.07 -0.65 -2.82 117.51 119.45 1m9x h ILE 141 Ca -0.16 -1.42 -0.04 0.00 1.55 0.00 0.00 64.86 64.79 1m9x h ILE 141 Cb 1.76 2.11 -0.01 0.00 -0.27 0.00 0.00 36.82 40.41 1m9x h ILE 141 CO 0.20 0.19 -0.17 -0.37 -1.05 0.00 0.00 178.15 176.95 1m9x h VAL 142 N 0.00 0.50 -0.77 0.16 -1.51 -1.25 -1.86 116.25 111.53 1m9x h VAL 142 Ca -0.00 -0.89 0.22 0.00 -1.23 0.00 0.00 66.70 64.80 1m9x h VAL 142 Cb 1.09 1.61 -0.03 0.00 -2.13 0.00 0.00 31.29 31.83 1m9x h VAL 142 CO 0.03 0.17 0.62 0.03 -1.23 0.00 0.00 177.57 177.19 1m9x h ARG 143 N 0.00 0.00 -0.00 5.19 3.08 -1.62 0.34 114.38 121.36 1m9x h ARG 143 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1m9x h ARG 143 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1m9x h ARG 143 CO 0.02 0.00 -0.01 -1.33 -1.07 0.00 0.00 179.97 177.59 1m9x n MET 144 N -4.03 0.96 0.00 0.04 2.81 -0.70 -3.63 117.12 112.57 1m9x n MET 144 Ca 0.16 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1m9x n MET 144 Cb 0.90 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 1m9x n MET 144 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1m9x n TYR 145 N -0.92 0.00 0.00 2.03 4.02 -0.26 -5.11 117.16 116.93 1m9x n TYR 145 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 1m9x n TYR 145 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 1m9x n TYR 145 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28