#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x3x n ASP 14 N 0.00 6.91 -4.95 3.42 5.75 -1.26 -4.88 116.55 121.54 2x3x n ASP 14 Ca 0.00 -3.81 -0.23 0.00 -0.01 0.00 0.00 54.79 50.74 2x3x n ASP 14 Cb 0.00 -0.94 -0.01 0.00 -1.03 0.00 0.00 41.12 39.15 2x3x n ASP 14 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2x3x s SER 15 N -1.63 6.17 0.27 -1.12 1.04 -1.26 -5.00 113.70 112.17 2x3x s SER 15 Ca 0.51 0.35 -0.01 0.00 0.48 0.00 0.00 55.95 57.28 2x3x s SER 15 Cb 0.43 -1.86 0.50 0.00 0.10 0.00 0.00 66.02 65.19 2x3x s SER 15 CO -0.37 -0.38 1.80 0.15 0.98 0.00 0.00 173.24 175.43 2x3x h PHE 16 N 0.71 0.95 0.00 5.02 3.57 -1.95 -2.72 116.94 122.51 2x3x h PHE 16 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2x3x h PHE 16 Cb 1.23 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2x3x h PHE 16 CO 0.49 0.34 0.00 0.91 -2.23 0.00 0.00 178.31 177.81 2x3x n TRP 17 N -4.73 0.00 -2.25 0.41 7.02 -1.26 -4.20 117.44 112.43 2x3x n TRP 17 Ca 0.17 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.31 2x3x n TRP 17 Cb 0.36 -0.37 -0.00 0.00 -2.42 0.00 0.00 31.31 28.88 2x3x n TRP 17 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2x3x s GLU 18 N -2.73 3.46 -0.16 -0.99 2.56 -1.03 -4.96 118.70 114.85 2x3x s GLU 18 Ca 0.14 1.35 -0.29 0.00 0.00 0.00 0.00 54.97 56.18 2x3x s GLU 18 Cb 0.12 -2.04 -0.04 0.00 2.00 0.00 0.00 34.13 34.17 2x3x s GLU 18 CO 0.30 -0.71 1.73 0.08 -0.56 0.00 0.00 175.26 176.10 2x3x s VAL 19 N -2.14 3.53 0.00 3.70 1.01 -1.26 -3.16 120.40 122.08 2x3x s VAL 19 Ca 0.67 0.60 0.00 0.00 0.00 0.00 0.00 61.98 63.25 2x3x s VAL 19 Cb -0.18 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2x3x s VAL 19 CO 0.29 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2x3x n GLY 20 N 4.67 1.84 0.00 4.51 0.00 -1.26 -4.97 105.19 109.98 2x3x n GLY 20 Ca 0.20 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.72 2x3x n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x3x n ASN 21 N 0.05 0.00 0.24 1.61 3.02 -1.19 -1.56 115.26 117.44 2x3x n ASN 21 Ca 0.00 -0.80 0.10 0.00 -0.03 0.00 0.00 54.58 53.85 2x3x n ASN 21 Cb 0.00 0.00 0.62 0.00 -0.61 0.00 0.00 39.78 39.79 2x3x n ASN 21 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2x3x h TYR 22 N 0.00 0.00 -1.08 3.10 -0.00 -1.82 -3.22 116.97 113.95 2x3x h TYR 22 Ca 0.00 0.00 0.41 0.00 0.00 0.00 0.00 58.73 59.14 2x3x h TYR 22 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 36.73 36.58 2x3x h TYR 22 CO 0.00 0.17 0.64 0.36 -0.00 0.00 0.00 178.16 179.34 2x3x n LYS 23 N -3.75 -0.05 0.07 0.10 2.85 -0.60 0.25 118.16 117.03 2x3x n LYS 23 Ca -0.02 1.22 -0.12 0.00 -1.05 0.00 0.00 58.31 58.34 2x3x n LYS 23 Cb 0.28 -2.28 -0.06 0.00 -0.65 0.00 0.00 35.03 32.32 2x3x n LYS 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2x3x h ARG 24 N 0.00 -0.12 -0.03 -1.58 3.08 -1.84 -0.78 114.38 113.11 2x3x h ARG 24 Ca 0.80 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.83 2x3x h ARG 24 Cb 2.32 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 32.39 2x3x h ARG 24 CO -0.58 -0.08 -0.09 1.15 -1.07 0.00 0.00 179.97 179.29 2x3x h THR 25 N -0.13 1.09 -0.12 2.04 2.02 -0.44 -2.37 112.91 115.00 2x3x h THR 25 Ca 0.01 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 2x3x h THR 25 Cb 0.13 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2x3x h THR 25 CO -0.03 0.12 -0.20 0.58 0.37 0.00 0.00 175.52 176.36 2x3x h VAL 26 N 0.05 1.37 -0.39 3.16 2.07 -1.06 -3.24 116.25 118.21 2x3x h VAL 26 Ca 0.01 -1.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.02 2x3x h VAL 26 Cb 0.19 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2x3x h VAL 26 CO 0.01 0.42 -0.03 0.50 0.02 0.00 0.00 177.57 178.50 2x3x h LYS 27 N -0.06 0.63 -0.92 1.57 3.64 -0.87 -1.81 116.57 118.76 2x3x h LYS 27 Ca 0.01 -0.16 0.11 0.00 -1.27 0.00 0.00 60.65 59.34 2x3x h LYS 27 Cb 0.77 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.43 2x3x h LYS 27 CO 0.05 0.67 0.55 -0.09 -2.27 0.00 0.00 179.45 178.36 2x3x h ARG 28 N 0.60 0.85 -0.58 1.90 2.43 -1.49 1.11 114.38 119.19 2x3x h ARG 28 Ca 0.12 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2x3x h ARG 28 Cb 0.42 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 2x3x h ARG 28 CO 0.02 0.56 0.26 0.82 -1.51 0.00 0.00 179.97 180.12 2x3x h ILE 29 N 0.87 0.86 -0.04 1.20 5.03 -1.36 -1.18 117.51 122.90 2x3x h ILE 29 Ca 0.45 -0.16 -0.17 0.00 -0.12 0.00 0.00 64.86 64.87 2x3x h ILE 29 Cb 0.46 0.34 -0.01 0.00 -3.03 0.00 0.00 36.82 34.58 2x3x h ILE 29 CO -0.27 0.09 -0.71 -0.78 -0.68 0.00 0.00 178.15 175.80 2x3x h ASP 30 N 0.48 0.27 -0.53 1.72 3.58 -0.66 -3.24 116.42 118.03 2x3x h ASP 30 Ca 0.28 -0.17 -0.07 0.00 0.42 0.00 0.00 57.03 57.49 2x3x h ASP 30 Cb 0.27 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2x3x h ASP 30 CO -0.24 0.89 0.08 0.44 -2.88 0.00 0.00 179.24 177.52 2x3x h ASP 31 N 0.15 0.85 -0.89 2.28 3.45 0.16 -3.09 116.42 119.33 2x3x h ASP 31 Ca -0.02 -0.27 0.24 0.00 0.43 0.00 0.00 57.03 57.41 2x3x h ASP 31 Cb 1.26 -0.23 -0.05 0.00 -0.56 0.00 0.00 39.33 39.75 2x3x h ASP 31 CO 0.11 0.90 0.62 1.23 -1.57 0.00 0.00 179.24 180.53 2x3x h GLY 32 N 0.76 0.37 1.06 2.75 0.00 -1.25 0.17 103.07 106.92 2x3x h GLY 32 Ca 0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 2x3x h GLY 32 CO 0.01 -0.01 -0.04 0.84 0.00 0.00 0.00 176.54 177.34 2x3x h HIS 33 N 0.16 1.07 -0.01 5.60 -0.00 -1.67 -2.85 115.15 117.46 2x3x h HIS 33 Ca 0.44 -0.20 -0.24 0.00 -0.00 0.00 0.00 60.37 60.38 2x3x h HIS 33 Cb 1.49 -0.27 0.01 0.00 -0.00 0.00 0.00 27.41 28.63 2x3x h HIS 33 CO -0.00 0.99 -0.95 -0.09 -0.00 0.00 0.00 177.93 177.88 2x3x h ARG 34 N 0.85 0.52 -0.84 5.26 1.12 -1.02 -2.87 114.38 117.39 2x3x h ARG 34 Ca 0.15 -0.54 0.24 0.00 -1.11 0.00 0.00 59.98 58.71 2x3x h ARG 34 Cb 0.59 0.15 -0.04 0.00 -0.01 0.00 0.00 29.97 30.67 2x3x h ARG 34 CO 0.04 1.17 0.60 -0.07 -3.11 0.00 0.00 179.97 178.60 2x3x h LEU 35 N 0.30 0.05 0.15 3.80 -0.00 -0.76 0.74 115.31 119.59 2x3x h LEU 35 Ca -0.09 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 2x3x h LEU 35 Cb 1.59 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.25 2x3x h LEU 35 CO 0.17 0.02 -0.07 0.00 -0.00 0.00 0.00 178.44 178.56 2x3x n ASN 37 N -2.77 0.19 0.24 0.00 4.13 -0.66 -0.06 115.26 116.32 2x3x n ASN 37 Ca -0.03 1.25 -0.12 0.00 1.68 0.00 0.00 54.58 57.37 2x3x n ASN 37 Cb 0.08 -0.61 -0.06 0.00 -1.54 0.00 0.00 39.78 37.65 2x3x n ASN 37 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 2x3x h ASP 38 N 0.00 -0.57 -0.63 6.41 3.32 -0.94 -1.25 116.42 122.75 2x3x h ASP 38 Ca 0.80 -0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.93 2x3x h ASP 38 Cb 2.61 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 42.26 2x3x h ASP 38 CO -0.41 -0.16 0.42 0.25 -1.72 0.00 0.00 179.24 177.63 2x3x h LEU 39 N -1.12 0.39 0.35 1.55 6.46 -0.27 0.56 115.31 123.22 2x3x h LEU 39 Ca -0.07 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2x3x h LEU 39 Cb 0.56 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2x3x h LEU 39 CO 0.11 0.23 -0.24 0.24 -0.62 0.00 0.00 178.44 178.16 2x3x h MET 40 N 0.43 -0.54 -0.11 1.25 2.86 -0.50 -2.31 114.93 116.02 2x3x h MET 40 Ca 0.29 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.95 2x3x h MET 40 Cb 0.58 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 2x3x h MET 40 CO -0.09 -0.36 -0.02 1.03 1.06 0.00 0.00 176.91 178.53 2x3x h SER 41 N -0.56 0.14 0.35 1.22 0.87 0.10 -1.94 113.55 113.73 2x3x h SER 41 Ca -0.05 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 2x3x h SER 41 Cb 0.46 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2x3x h SER 41 CO 0.03 0.19 -0.17 0.00 -0.53 0.00 0.00 176.83 176.35 2x3x h VAL 43 N -0.68 1.15 -0.52 0.00 -1.51 -0.93 -1.01 116.25 112.76 2x3x h VAL 43 Ca -0.05 -0.32 0.03 0.00 -1.23 0.00 0.00 66.70 65.13 2x3x h VAL 43 Cb 0.48 0.37 -0.04 0.00 -2.13 0.00 0.00 31.29 29.97 2x3x h VAL 43 CO 0.08 0.16 0.29 -0.61 -1.23 0.00 0.00 177.57 176.26 2x3x h GLN 44 N 0.75 0.56 -0.38 5.19 4.15 -1.24 -0.53 115.11 123.61 2x3x h GLN 44 Ca 0.20 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.48 2x3x h GLN 44 Cb -0.05 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 2x3x h GLN 44 CO -0.04 0.37 -0.19 0.93 -1.93 0.00 0.00 178.83 177.97 2x3x h GLU 45 N 0.58 0.72 -0.30 1.69 5.08 -0.38 -1.14 114.58 120.84 2x3x h GLU 45 Ca 0.22 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2x3x h GLU 45 Cb 0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2x3x h GLU 45 CO -0.12 0.86 0.07 -0.09 -1.00 0.00 0.00 179.01 178.73 2x3x h ARG 46 N 0.64 0.48 -0.20 2.33 9.65 -0.55 -1.87 114.38 124.86 2x3x h ARG 46 Ca 0.10 -0.12 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 2x3x h ARG 46 Cb 0.67 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 2x3x h ARG 46 CO 0.05 0.56 -0.18 0.00 2.80 0.00 0.00 179.97 183.20 2x3x h ALA 47 N 0.90 1.33 -0.54 2.80 0.00 -1.01 -1.26 119.26 121.48 2x3x h ALA 47 Ca 0.09 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2x3x h ALA 47 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2x3x h ALA 47 CO 0.00 0.45 -0.13 -0.22 0.00 0.00 0.00 179.25 179.36 2x3x h LYS 48 N 0.31 1.03 -0.15 0.00 3.64 -0.97 -1.39 116.57 119.05 2x3x h LYS 48 Ca 0.06 -0.39 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2x3x h LYS 48 Cb 0.50 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2x3x h LYS 48 CO 0.03 1.08 0.08 0.82 -2.27 0.00 0.00 179.45 179.19 2x3x h ILE 49 N 0.91 1.10 -0.42 2.00 2.04 -1.10 -3.01 117.51 119.02 2x3x h ILE 49 Ca 0.14 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.82 2x3x h ILE 49 Cb 0.70 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 2x3x h ILE 49 CO 0.05 0.09 -0.01 -0.33 0.00 0.00 0.00 178.15 177.95 2x3x h GLU 50 N 0.14 0.09 -0.48 2.37 4.39 -0.97 -0.82 114.58 119.31 2x3x h GLU 50 Ca 0.05 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.84 2x3x h GLU 50 Cb 0.07 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 28.60 2x3x h GLU 50 CO -0.01 0.06 -0.22 -0.22 -1.16 0.00 0.00 179.01 177.46 2x3x h LYS 51 N 0.09 -0.11 -0.64 2.33 3.64 -1.24 -2.29 116.57 118.34 2x3x h LYS 51 Ca 0.21 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.73 2x3x h LYS 51 Cb 0.30 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.03 2x3x h LYS 51 CO -0.36 -0.08 -0.13 0.00 -2.27 0.00 0.00 179.45 176.62 2x3x h ALA 52 N 1.19 0.47 -0.50 5.00 0.00 -1.01 0.27 119.26 124.68 2x3x h ALA 52 Ca 0.22 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.32 2x3x h ALA 52 Cb 0.47 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2x3x h ALA 52 CO -0.55 -0.42 0.08 -0.92 0.00 0.00 0.00 179.25 177.44 2x3x h TYR 53 N 0.02 0.87 -0.47 0.00 -0.00 -1.23 0.14 116.97 116.30 2x3x h TYR 53 Ca 0.32 -0.12 0.08 0.00 -0.00 0.00 0.00 58.73 59.01 2x3x h TYR 53 Cb 0.49 -0.24 -0.07 0.00 -0.00 0.00 0.00 36.73 36.92 2x3x h TYR 53 CO -0.49 0.80 0.08 0.00 -0.00 0.00 0.00 178.16 178.55 2x3x h ALA 54 N 0.97 0.52 0.41 1.82 0.00 -0.46 -0.58 119.26 121.94 2x3x h ALA 54 Ca 0.15 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2x3x h ALA 54 Cb 0.39 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2x3x h ALA 54 CO 0.01 -0.32 -0.20 1.96 0.00 0.00 0.00 179.25 180.70 2x3x h GLN 55 N 0.22 -0.53 -0.71 0.00 1.08 0.11 0.14 115.11 115.42 2x3x h GLN 55 Ca 0.24 0.04 0.16 0.00 -1.45 0.00 0.00 58.65 57.63 2x3x h GLN 55 Cb 0.31 0.12 -0.12 0.00 -0.05 0.00 0.00 27.48 27.74 2x3x h GLN 55 CO -0.32 -0.26 0.02 1.96 -0.95 0.00 0.00 178.83 179.29 2x3x h GLN 56 N -0.74 0.12 -0.61 1.46 4.20 -0.63 -0.03 115.11 118.88 2x3x h GLN 56 Ca -0.06 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 2x3x h GLN 56 Cb 0.52 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2x3x h GLN 56 CO 0.09 0.08 0.07 -0.07 -0.67 0.00 0.00 178.83 178.33 2x3x h LEU 57 N 0.13 0.97 -0.62 1.46 3.38 -0.92 -1.91 115.31 117.80 2x3x h LEU 57 Ca 0.39 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 2x3x h LEU 57 Cb 0.66 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2x3x h LEU 57 CO -0.61 0.99 -0.15 0.74 0.09 0.00 0.00 178.44 179.50 2x3x h THR 58 N 0.95 1.27 -0.01 0.22 2.02 0.81 -1.99 112.91 116.18 2x3x h THR 58 Ca 0.18 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 2x3x h THR 58 Cb 0.45 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2x3x h THR 58 CO 0.02 0.45 -0.03 0.44 0.37 0.00 0.00 175.52 176.77 2x3x h ASP 59 N 0.83 0.04 -0.71 4.18 3.32 -1.09 -1.79 116.42 121.20 2x3x h ASP 59 Ca 0.12 -0.60 0.14 0.00 0.02 0.00 0.00 57.03 56.72 2x3x h ASP 59 Cb 0.70 -0.01 -0.13 0.00 0.22 0.00 0.00 39.33 40.10 2x3x h ASP 59 CO 0.05 0.63 -0.16 -0.25 -1.72 0.00 0.00 179.24 177.80 2x3x h TRP 60 N -0.54 -0.34 -0.64 4.55 7.01 -1.37 0.63 115.95 125.25 2x3x h TRP 60 Ca -0.00 0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.07 2x3x h TRP 60 Cb 0.63 0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.91 2x3x h TRP 60 CO 0.13 -0.30 0.42 0.00 -2.79 0.00 0.00 178.44 175.91 2x3x h ALA 61 N 1.70 0.81 0.00 2.65 0.00 -1.28 -2.54 119.26 120.60 2x3x h ALA 61 Ca 0.35 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 2x3x h ALA 61 Cb 0.54 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2x3x h ALA 61 CO -0.72 0.23 -0.39 -0.22 0.00 0.00 0.00 179.25 178.16 2x3x h LYS 62 N 0.86 0.00 -0.05 0.00 3.64 -0.25 -2.23 116.57 118.54 2x3x h LYS 62 Ca 0.24 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.42 2x3x h LYS 62 Cb -0.09 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2x3x h LYS 62 CO -0.05 0.39 -0.74 -0.09 -2.27 0.00 0.00 179.45 176.68 2x3x h ARG 63 N 0.00 0.58 0.00 1.90 2.43 -0.57 -3.09 114.38 115.63 2x3x h ARG 63 Ca -0.00 -0.56 -0.24 0.00 -0.81 0.00 0.00 59.98 58.36 2x3x h ARG 63 Cb 0.91 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 2x3x h ARG 63 CO 0.05 1.18 -1.36 -1.49 -1.51 0.00 0.00 179.97 176.84 2x3x h TRP 64 N 0.19 0.00 -0.98 2.20 4.06 -1.48 -0.30 115.95 119.64 2x3x h TRP 64 Ca -0.08 0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.04 2x3x h TRP 64 Cb 1.40 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.47 2x3x h TRP 64 CO 0.12 0.96 0.61 0.00 -3.56 0.00 0.00 178.44 176.57 2x3x h ARG 65 N 0.00 0.75 0.29 0.49 3.08 -1.54 0.40 114.38 117.86 2x3x h ARG 65 Ca -0.16 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 2x3x h ARG 65 Cb 1.87 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.75 2x3x h ARG 65 CO 0.10 0.50 -0.14 0.37 -1.07 0.00 0.00 179.97 179.72 2x3x h GLN 66 N 0.77 -0.38 -0.49 0.04 4.15 -1.42 -2.44 115.11 115.35 2x3x h GLN 66 Ca 0.53 0.03 0.10 0.00 0.77 0.00 0.00 58.65 60.07 2x3x h GLN 66 Cb 0.80 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.49 2x3x h GLN 66 CO -0.30 -0.25 -0.11 -0.07 -1.93 0.00 0.00 178.83 176.16 2x3x h LEU 67 N -0.63 -0.43 -0.26 -2.39 3.38 -0.85 -1.83 115.31 112.29 2x3x h LEU 67 Ca -0.04 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2x3x h LEU 67 Cb 0.30 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2x3x h LEU 67 CO 0.07 -0.15 0.02 0.40 0.09 0.00 0.00 178.44 178.86 2x3x h ILE 68 N 0.01 1.24 -0.12 1.22 2.04 -0.33 -3.03 117.51 118.55 2x3x h ILE 68 Ca 0.24 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2x3x h ILE 68 Cb 0.37 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2x3x h ILE 68 CO -0.50 0.27 0.00 1.21 0.00 0.00 0.00 178.15 179.13 2x3x n GLU 69 N -4.65 1.44 0.00 2.37 2.13 -0.88 -3.68 120.64 117.37 2x3x n GLU 69 Ca -0.03 -0.50 0.00 0.00 0.66 0.00 0.00 57.16 57.29 2x3x n GLU 69 Cb 0.23 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.64 2x3x n GLU 69 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2x3x n LYS 70 N -0.04 0.00 -3.82 5.31 4.01 -0.74 -5.00 118.16 117.88 2x3x n LYS 70 Ca 0.05 0.11 -0.04 0.00 -0.51 0.00 0.00 58.31 57.91 2x3x n LYS 70 Cb 0.22 -0.58 0.01 0.00 -0.51 0.00 0.00 35.03 34.17 2x3x n LYS 70 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2x3x s GLY 71 N -2.64 0.02 0.00 0.72 0.00 -1.23 -4.89 107.32 99.29 2x3x s GLY 71 Ca 0.00 -0.24 0.24 0.00 0.00 0.00 0.00 44.72 44.72 2x3x s GLY 71 CO 0.00 0.92 1.28 -1.55 0.00 0.00 0.00 173.10 173.75 2x3x n PRO 72 N -0.57 1.57 -1.84 2.90 -0.04 -1.26 -4.71 135.00 131.05 2x3x n PRO 72 Ca -0.05 -1.23 -0.41 0.00 -0.04 0.00 0.00 63.50 61.77 2x3x n PRO 72 Cb 0.60 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 2x3x n PRO 72 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2x3x s GLN 73 N -2.28 4.15 -0.04 0.54 2.00 -1.26 -5.01 119.66 117.77 2x3x s GLN 73 Ca 0.24 2.51 0.06 0.00 -2.00 0.00 0.00 55.36 56.18 2x3x s GLN 73 Cb 0.19 -3.02 -0.01 0.00 0.80 0.00 0.00 33.01 30.97 2x3x s GLN 73 CO 0.45 -0.54 -0.22 1.52 -0.50 0.00 0.00 175.29 176.00 2x3x s TYR 74 N -0.47 2.13 0.00 1.67 -0.85 -1.26 -4.85 117.35 113.72 2x3x s TYR 74 Ca 0.58 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 56.57 2x3x s TYR 74 Cb -0.46 -1.40 0.00 0.00 0.38 0.00 0.00 41.96 40.48 2x3x s TYR 74 CO 0.53 -0.15 0.00 0.41 -1.52 0.00 0.00 175.55 174.82 2x3x n GLY 75 N 2.86 0.38 0.00 5.49 0.00 -1.26 -4.28 105.19 108.38 2x3x n GLY 75 Ca -0.17 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2x3x n GLY 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x3x n SER 76 N -3.09 0.00 -0.19 1.61 3.41 -1.26 -0.48 113.62 113.62 2x3x n SER 76 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2x3x n SER 76 Cb 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 2x3x n SER 76 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2x3x h LEU 77 N 0.00 0.26 -0.46 1.04 7.12 -1.89 0.42 115.31 121.80 2x3x h LEU 77 Ca 0.00 0.06 0.06 0.00 0.13 0.00 0.00 57.88 58.13 2x3x h LEU 77 Cb 0.00 0.03 -0.09 0.00 -0.53 0.00 0.00 40.66 40.07 2x3x h LEU 77 CO 0.00 0.17 -0.51 -0.08 -0.13 0.00 0.00 178.44 177.88 2x3x h GLU 78 N 0.43 -0.33 -0.47 1.25 4.22 -0.96 -1.05 114.58 117.67 2x3x h GLU 78 Ca 0.28 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.74 2x3x h GLU 78 Cb 0.29 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2x3x h GLU 78 CO -0.26 -0.22 0.29 0.00 -2.18 0.00 0.00 179.01 176.64 2x3x h ARG 79 N -0.34 0.63 0.44 1.92 3.08 -0.19 1.33 114.38 121.25 2x3x h ARG 79 Ca 0.11 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2x3x h ARG 79 Cb 0.58 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2x3x h ARG 79 CO -0.62 0.44 -0.21 0.00 -1.07 0.00 0.00 179.97 178.51 2x3x h ALA 80 N 1.67 -0.59 -0.96 0.04 0.00 -0.54 0.08 119.26 118.96 2x3x h ALA 80 Ca 0.17 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.07 2x3x h ALA 80 Cb -0.03 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 2x3x h ALA 80 CO -0.03 -0.69 0.61 2.35 0.00 0.00 0.00 179.25 181.48 2x3x h TRP 81 N -0.88 0.89 -0.75 0.00 7.01 -0.58 -0.83 115.95 120.82 2x3x h TRP 81 Ca -0.06 0.03 0.02 0.00 2.11 0.00 0.00 58.89 60.99 2x3x h TRP 81 Cb 0.57 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 27.31 2x3x h TRP 81 CO 0.01 0.26 0.49 0.78 -2.79 0.00 0.00 178.44 177.18 2x3x h GLY 82 N 0.69 1.07 0.50 2.65 0.00 0.21 -2.01 103.07 106.19 2x3x h GLY 82 Ca 0.51 -0.37 0.16 0.00 0.00 0.00 0.00 47.33 47.62 2x3x h GLY 82 CO -0.27 0.34 0.57 0.00 0.00 0.00 0.00 176.54 177.17 2x3x h ALA 83 N 1.30 1.95 -1.08 3.60 0.00 0.52 0.11 119.26 125.67 2x3x h ALA 83 Ca 0.29 0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.51 2x3x h ALA 83 Cb -0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 2x3x h ALA 83 CO -0.09 -0.20 0.71 1.98 0.00 0.00 0.00 179.25 181.65 2x3x h MET 84 N 0.58 0.31 -0.50 0.00 -1.53 -1.26 1.00 114.93 113.53 2x3x h MET 84 Ca 0.44 -0.02 -0.08 0.00 -3.44 0.00 0.00 59.70 56.60 2x3x h MET 84 Cb 0.84 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.80 2x3x h MET 84 CO -0.19 0.20 -0.01 0.52 0.14 0.00 0.00 176.91 177.58 2x3x h MET 85 N 0.32 0.89 -0.54 0.39 2.86 -0.87 -3.18 114.93 114.80 2x3x h MET 85 Ca 0.61 -0.29 0.08 0.00 -2.06 0.00 0.00 59.70 58.04 2x3x h MET 85 Cb 1.70 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 33.22 2x3x h MET 85 CO -0.28 0.93 0.20 1.15 1.06 0.00 0.00 176.91 179.97 2x3x h THR 86 N 0.75 0.81 -0.12 2.22 2.02 0.11 -0.00 112.91 118.70 2x3x h THR 86 Ca 0.14 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2x3x h THR 86 Cb 0.53 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2x3x h THR 86 CO 0.03 0.07 0.02 1.05 0.37 0.00 0.00 175.52 177.06 2x3x h GLU 87 N 0.38 0.19 -0.90 6.66 -0.00 -1.57 -0.17 114.58 119.17 2x3x h GLU 87 Ca 0.27 -0.05 0.18 0.00 -0.00 0.00 0.00 59.36 59.76 2x3x h GLU 87 Cb 0.30 -0.02 -0.07 0.00 -0.00 0.00 0.00 28.75 28.96 2x3x h GLU 87 CO -0.27 0.38 0.59 0.00 -0.00 0.00 0.00 179.01 179.71 2x3x h ALA 88 N 0.80 2.05 -0.25 1.06 0.00 -1.39 0.27 119.26 121.81 2x3x h ALA 88 Ca 0.04 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 2x3x h ALA 88 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2x3x h ALA 88 CO 0.00 -0.33 -0.61 -0.44 0.00 0.00 0.00 179.25 177.87 2x3x h ASP 89 N 0.51 0.94 -0.00 0.00 3.45 -0.60 -3.09 116.42 117.63 2x3x h ASP 89 Ca 0.47 -0.53 -0.06 0.00 0.43 0.00 0.00 57.03 57.34 2x3x h ASP 89 Cb 1.01 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.51 2x3x h ASP 89 CO -0.20 1.33 -0.23 0.11 -1.57 0.00 0.00 179.24 178.68 2x3x h LYS 90 N 0.62 0.16 -0.95 3.56 1.57 0.12 -3.00 116.57 118.65 2x3x h LYS 90 Ca -0.00 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2x3x h LYS 90 Cb 1.22 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.53 2x3x h LYS 90 CO 0.13 0.91 0.63 -0.39 -0.57 0.00 0.00 179.45 180.16 2x3x h VAL 91 N -0.53 1.22 -0.34 0.50 -1.51 -0.85 0.25 116.25 114.98 2x3x h VAL 91 Ca -0.03 -0.43 0.04 0.00 -1.23 0.00 0.00 66.70 65.05 2x3x h VAL 91 Cb 0.99 -0.16 -0.08 0.00 -2.13 0.00 0.00 31.29 29.92 2x3x h VAL 91 CO 0.05 0.23 -0.54 -1.28 -1.23 0.00 0.00 177.57 174.80 2x3x h SER 92 N 1.27 -1.78 -0.95 4.19 0.87 -1.58 0.73 113.55 116.29 2x3x h SER 92 Ca 0.36 0.23 0.16 0.00 -1.23 0.00 0.00 61.79 61.31 2x3x h SER 92 Cb -0.10 0.72 -0.10 0.00 -0.44 0.00 0.00 62.40 62.49 2x3x h SER 92 CO -0.09 -0.41 0.56 -0.08 -0.53 0.00 0.00 176.83 176.28 2x3x h GLU 93 N -0.42 0.75 -0.66 2.24 4.81 -1.21 0.36 114.58 120.45 2x3x h GLU 93 Ca 0.06 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2x3x h GLU 93 Cb 0.59 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 2x3x h GLU 93 CO -0.55 0.50 0.27 1.25 -0.73 0.00 0.00 179.01 179.75 2x3x h LEU 94 N 0.78 0.91 -0.79 1.64 5.85 0.27 -1.33 115.31 122.64 2x3x h LEU 94 Ca 0.52 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 59.00 2x3x h LEU 94 Cb 0.71 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2x3x h LEU 94 CO -0.35 0.83 -0.35 0.45 -0.34 0.00 0.00 178.44 178.69 2x3x h HIS 95 N 0.93 0.00 0.00 1.25 3.86 0.11 -2.66 115.15 118.64 2x3x h HIS 95 Ca 0.22 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.34 2x3x h HIS 95 Cb 0.20 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 2x3x h HIS 95 CO 0.01 0.35 -0.42 1.96 0.86 0.00 0.00 177.93 180.69 2x3x h GLN 96 N 0.00 0.00 -0.27 2.45 1.08 -0.35 0.80 115.11 118.82 2x3x h GLN 96 Ca -0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 2x3x h GLN 96 Cb 0.95 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 2x3x h GLN 96 CO 0.05 0.42 -0.01 0.93 -0.95 0.00 0.00 178.83 179.27 2x3x h GLU 97 N 0.00 0.47 -0.37 1.46 5.08 -0.96 -1.42 114.58 118.85 2x3x h GLU 97 Ca -0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2x3x h GLU 97 Cb 0.83 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2x3x h GLU 97 CO 0.05 0.64 0.22 0.28 -1.00 0.00 0.00 179.01 179.20 2x3x h VAL 98 N 0.25 1.11 0.54 3.13 2.07 -1.11 -1.92 116.25 120.33 2x3x h VAL 98 Ca 0.07 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2x3x h VAL 98 Cb 0.43 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2x3x h VAL 98 CO 0.01 0.12 -0.26 0.50 0.02 0.00 0.00 177.57 177.96 2x3x h LYS 99 N 0.51 -0.70 -0.12 1.57 3.64 -0.61 -3.09 116.57 117.77 2x3x h LYS 99 Ca 0.13 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2x3x h LYS 99 Cb -0.01 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 2x3x h LYS 99 CO -0.02 -0.47 -0.29 -0.91 -2.27 0.00 0.00 179.45 175.49 2x3x h ASN 100 N -0.85 -0.88 0.00 4.20 2.35 -1.06 -0.41 115.58 118.92 2x3x h ASN 100 Ca -0.07 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2x3x h ASN 100 Cb 0.56 0.38 0.00 0.00 0.05 0.00 0.00 38.32 39.31 2x3x h ASN 100 CO 0.12 -0.33 0.00 -1.54 -1.65 0.00 0.00 177.43 174.03 2x3x n SER 101 N -5.39 0.00 -0.10 5.81 3.41 -0.74 0.19 113.62 116.79 2x3x n SER 101 Ca -0.03 -1.47 -0.13 0.00 -0.26 0.00 0.00 58.87 56.98 2x3x n SER 101 Cb 0.31 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.14 2x3x n SER 101 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2x3x n LEU 102 N -0.53 1.81 -0.09 1.04 7.94 -0.26 -3.48 117.00 123.44 2x3x n LEU 102 Ca 0.01 -0.07 -0.13 0.00 -1.11 0.00 0.00 56.01 54.71 2x3x n LEU 102 Cb 0.01 -0.30 -0.06 0.00 0.53 0.00 0.00 43.42 43.59 2x3x n LEU 102 CO 0.01 0.70 -0.47 0.18 -1.11 0.00 0.00 177.39 176.70 2x3x n LEU 103 N -2.94 1.84 0.14 -1.96 4.77 -0.28 -1.39 117.00 117.18 2x3x n LEU 103 Ca -0.35 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2x3x n LEU 103 Cb 0.97 -0.91 0.26 0.00 -2.33 0.00 0.00 43.42 41.42 2x3x n LEU 103 CO 0.28 -0.12 0.63 0.78 -1.33 0.00 0.00 177.39 177.63 2x3x h ASN 104 N -1.00 0.08 0.00 -1.43 2.35 0.18 -3.27 115.58 112.49 2x3x h ASN 104 Ca -0.17 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2x3x h ASN 104 Cb 0.90 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.25 2x3x h ASN 104 CO -0.10 0.52 -0.40 1.21 -1.65 0.00 0.00 177.43 177.01 2x3x n GLU 105 N -3.99 0.21 0.10 0.81 2.13 -1.23 -4.55 120.64 114.12 2x3x n GLU 105 Ca -0.02 0.08 -0.13 0.00 0.66 0.00 0.00 57.16 57.76 2x3x n GLU 105 Cb 0.49 -0.82 -0.08 0.00 0.27 0.00 0.00 31.44 31.30 2x3x n GLU 105 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2x3x h ASP 106 N -0.40 -0.24 -0.04 4.31 3.32 -1.61 -2.49 116.42 119.27 2x3x h ASP 106 Ca 0.00 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 56.83 2x3x h ASP 106 Cb 0.40 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 2x3x h ASP 106 CO 0.00 0.17 -0.34 0.25 -1.72 0.00 0.00 179.24 177.60 2x3x h LEU 107 N -0.71 -1.04 -2.05 1.55 6.46 -1.35 -2.44 115.31 115.74 2x3x h LEU 107 Ca -0.03 0.14 0.05 0.00 -0.12 0.00 0.00 57.88 57.91 2x3x h LEU 107 Cb 0.49 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 2x3x h LEU 107 CO 0.05 -0.39 0.12 -0.33 -0.62 0.00 0.00 178.44 177.27 2x3x h GLU 108 N -0.47 0.00 -0.14 1.25 4.39 -1.60 -0.51 114.58 117.50 2x3x h GLU 108 Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2x3x h GLU 108 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2x3x h GLU 108 CO -0.30 0.00 0.09 -0.22 -1.16 0.00 0.00 179.01 177.42 2x3x h LYS 109 N 0.00 0.19 -0.61 2.33 3.64 -0.96 -0.77 116.57 120.39 2x3x h LYS 109 Ca 0.08 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2x3x h LYS 109 Cb 0.32 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2x3x h LYS 109 CO -0.00 0.16 0.08 0.28 -2.27 0.00 0.00 179.45 177.70 2x3x h VAL 110 N 0.17 1.25 -0.36 2.00 2.07 -1.02 -2.15 116.25 118.20 2x3x h VAL 110 Ca 0.05 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 2x3x h VAL 110 Cb 0.02 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2x3x h VAL 110 CO -0.01 0.37 0.09 0.50 0.02 0.00 0.00 177.57 178.54 2x3x h LYS 111 N 0.94 0.59 -0.05 1.57 3.64 -1.08 -1.70 116.57 120.47 2x3x h LYS 111 Ca 0.19 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2x3x h LYS 111 Cb 0.43 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2x3x h LYS 111 CO 0.01 0.63 0.01 -0.91 -2.27 0.00 0.00 179.45 176.93 2x3x h ASN 112 N 0.44 0.08 -0.89 4.20 2.35 -1.06 -2.52 115.58 118.18 2x3x h ASN 112 Ca 0.11 -0.24 0.16 0.00 -0.55 0.00 0.00 56.30 55.78 2x3x h ASN 112 Cb 0.31 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 38.59 2x3x h ASN 112 CO 0.00 0.30 0.58 -0.25 -1.65 0.00 0.00 177.43 176.41 2x3x h TRP 113 N -0.15 0.73 -0.13 1.19 7.01 -1.38 -0.03 115.95 123.19 2x3x h TRP 113 Ca 0.02 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 60.90 2x3x h TRP 113 Cb 0.26 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 2x3x h TRP 113 CO 0.01 0.24 -0.51 0.37 -2.79 0.00 0.00 178.44 175.76 2x3x h GLN 114 N 0.59 0.36 0.00 2.65 4.15 -0.99 0.41 115.11 122.28 2x3x h GLN 114 Ca 0.46 -0.21 -0.14 0.00 0.77 0.00 0.00 58.65 59.52 2x3x h GLN 114 Cb 0.87 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 2x3x h GLN 114 CO -0.20 0.79 -0.86 1.57 -1.93 0.00 0.00 178.83 178.20 2x3x h LYS 115 N 0.29 0.00 -0.35 1.69 2.10 -1.00 -2.18 116.57 117.12 2x3x h LYS 115 Ca 0.01 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.53 2x3x h LYS 115 Cb 1.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.32 2x3x h LYS 115 CO 0.09 0.49 -0.31 -0.44 -2.00 0.00 0.00 179.45 177.27 2x3x h ASP 116 N 0.00 0.79 0.09 7.07 3.32 -0.71 -3.36 116.42 123.63 2x3x h ASP 116 Ca -0.06 -0.32 -0.25 0.00 0.02 0.00 0.00 57.03 56.42 2x3x h ASP 116 Cb 1.50 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2x3x h ASP 116 CO 0.07 1.04 -1.28 0.00 -1.72 0.00 0.00 179.24 177.35 2x3x h ALA 117 N 1.01 0.17 -3.30 3.45 0.00 -0.26 -3.47 119.26 116.85 2x3x h ALA 117 Ca 0.07 -1.05 -0.68 0.00 0.00 0.00 0.00 54.91 53.26 2x3x h ALA 117 Cb 0.84 0.46 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 2x3x h ALA 117 CO 0.07 0.74 -0.62 0.71 0.00 0.00 0.00 179.25 180.15 2x3x s TYR 118 N -2.44 3.16 -0.09 0.00 2.02 -0.82 -4.96 117.35 114.22 2x3x s TYR 118 Ca -0.21 0.18 -0.02 0.00 -0.37 0.00 0.00 57.07 56.66 2x3x s TYR 118 Cb 0.04 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 39.86 2x3x s TYR 118 CO 0.74 0.48 0.02 -1.01 -1.57 0.00 0.00 175.55 174.21 2x3x s HIS 119 N -0.94 0.59 0.61 2.71 3.76 -1.26 -4.54 115.29 116.22 2x3x s HIS 119 Ca 0.15 -0.18 -0.14 0.00 -0.15 0.00 0.00 55.06 54.74 2x3x s HIS 119 Cb -0.11 -0.77 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 2x3x s HIS 119 CO 0.04 -0.35 1.04 0.15 -0.85 0.00 0.00 174.74 174.77 2x3x s LYS 120 N 2.00 3.41 0.45 1.40 3.01 -1.26 -0.89 119.74 127.86 2x3x s LYS 120 Ca 0.04 0.99 0.06 0.00 -1.01 0.00 0.00 55.97 56.05 2x3x s LYS 120 Cb -0.13 -2.05 -0.04 0.00 -1.01 0.00 0.00 37.83 34.60 2x3x s LYS 120 CO -0.05 -0.72 0.12 -0.65 0.51 0.00 0.00 175.35 174.55 2x3x s GLN 121 N -4.55 2.15 0.00 1.68 -0.21 -0.06 -4.73 119.66 113.93 2x3x s GLN 121 Ca 0.59 -2.07 0.00 0.00 0.02 0.00 0.00 55.36 53.91 2x3x s GLN 121 Cb -0.13 -1.80 0.00 0.00 1.00 0.00 0.00 33.01 32.08 2x3x s GLN 121 CO 0.44 -0.21 0.31 1.51 -2.12 0.00 0.00 175.29 175.22 2x3x n ILE 122 N -1.23 0.24 -2.66 1.08 0.00 -1.26 -2.32 119.36 113.21 2x3x n ILE 122 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 62.75 62.67 2x3x n ILE 122 Cb 0.66 -0.50 0.10 0.00 0.00 0.00 0.00 39.64 39.89 2x3x n ILE 122 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 2x3x n MET 123 N 0.62 1.33 0.00 9.51 1.56 -1.26 -5.05 117.12 123.83 2x3x n MET 123 Ca 0.00 -1.72 0.00 0.00 -0.27 0.00 0.00 57.70 55.71 2x3x n MET 123 Cb 0.15 -0.02 0.00 0.00 2.15 0.00 0.00 33.22 35.50 2x3x n MET 123 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2x3x n GLY 124 N -1.20 1.98 3.61 -5.12 0.00 -0.98 -5.01 105.19 98.47 2x3x n GLY 124 Ca -0.13 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 2x3x n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x3x n GLY 125 N 0.00 -0.42 3.68 -0.02 0.00 -1.26 -4.34 105.19 102.84 2x3x n GLY 125 Ca 0.00 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2x3x n GLY 125 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x3x s PHE 126 N -1.67 3.47 0.33 1.61 0.40 -1.26 -0.88 117.98 119.97 2x3x s PHE 126 Ca 0.75 1.28 0.09 0.00 -0.60 0.00 0.00 56.93 58.44 2x3x s PHE 126 Cb -0.38 -2.97 0.96 0.00 0.51 0.00 0.00 43.02 41.14 2x3x s PHE 126 CO 0.48 -0.15 1.59 -0.22 0.70 0.00 0.00 175.22 177.63 2x3x h LYS 127 N 7.17 0.05 -0.24 0.44 3.64 -1.30 0.42 116.57 126.75 2x3x h LYS 127 Ca -0.33 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 2x3x h LYS 127 Cb 1.15 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2x3x h LYS 127 CO 0.81 0.03 0.04 0.93 -2.27 0.00 0.00 179.45 178.99 2x3x h GLU 128 N 0.05 0.34 0.05 1.90 3.07 -1.93 -0.49 114.58 117.58 2x3x h GLU 128 Ca 0.68 -0.05 -0.25 0.00 -0.50 0.00 0.00 59.36 59.25 2x3x h GLU 128 Cb 1.56 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.39 2x3x h GLU 128 CO -0.82 0.33 -1.20 1.15 -1.40 0.00 0.00 179.01 177.07 2x3x h THR 129 N 0.33 1.50 -0.01 1.13 2.02 -0.57 -3.22 112.91 114.10 2x3x h THR 129 Ca 0.08 -3.18 -0.00 0.00 0.77 0.00 0.00 66.41 64.08 2x3x h THR 129 Cb 0.16 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2x3x h THR 129 CO -0.00 0.89 -0.00 0.11 0.37 0.00 0.00 175.52 176.88 2x3x h LYS 130 N 0.03 0.02 -0.20 6.66 1.79 -0.85 -2.93 116.57 121.09 2x3x h LYS 130 Ca -0.10 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2x3x h LYS 130 Cb 1.88 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.52 2x3x h LYS 130 CO 0.15 0.39 0.14 0.93 -1.08 0.00 0.00 179.45 179.98 2x3x h GLU 131 N -0.35 0.03 0.06 3.15 5.08 -1.19 0.48 114.58 121.83 2x3x h GLU 131 Ca 0.00 -0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 2x3x h GLU 131 Cb 0.38 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2x3x h GLU 131 CO 0.00 0.02 -1.11 0.00 -1.00 0.00 0.00 179.01 176.92 2x3x h ALA 132 N 1.90 0.17 0.09 3.43 0.00 -1.64 -2.28 119.26 120.93 2x3x h ALA 132 Ca 0.09 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 2x3x h ALA 132 Cb 0.35 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2x3x h ALA 132 CO -0.00 0.79 -0.04 0.93 0.00 0.00 0.00 179.25 180.92 2x3x h GLU 133 N 0.24 -0.11 -0.52 0.00 4.39 -0.53 0.74 114.58 118.78 2x3x h GLU 133 Ca -0.13 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2x3x h GLU 133 Cb 1.77 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.42 2x3x h GLU 133 CO 0.20 0.10 0.29 -0.44 -1.16 0.00 0.00 179.01 178.00 2x3x h ASP 134 N -0.32 0.65 -0.52 1.42 3.45 -0.30 0.19 116.42 120.99 2x3x h ASP 134 Ca -0.01 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.33 2x3x h ASP 134 Cb 0.27 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 2x3x h ASP 134 CO 0.02 0.56 0.24 1.23 -1.57 0.00 0.00 179.24 179.71 2x3x h GLY 135 N 0.70 0.81 1.33 2.75 0.00 -1.38 -0.05 103.07 107.23 2x3x h GLY 135 Ca 0.18 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 2x3x h GLY 135 CO -0.03 0.39 0.10 0.74 0.00 0.00 0.00 176.54 177.74 2x3x h PHE 136 N 0.69 0.87 -0.22 5.60 0.05 -0.59 -1.91 116.94 121.43 2x3x h PHE 136 Ca 0.18 -0.09 -0.02 0.00 3.82 0.00 0.00 57.97 61.85 2x3x h PHE 136 Cb 0.15 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 37.84 2x3x h PHE 136 CO -0.00 0.75 0.05 0.00 -0.18 0.00 0.00 178.31 178.93 2x3x h ARG 137 N 0.80 0.36 -0.12 1.51 3.08 -0.63 -2.25 114.38 117.13 2x3x h ARG 137 Ca 0.17 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.15 2x3x h ARG 137 Cb 0.34 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2x3x h ARG 137 CO 0.00 0.47 0.02 -0.22 -1.07 0.00 0.00 179.97 179.17 2x3x h LYS 138 N 0.18 0.06 0.00 0.04 3.64 -0.79 0.22 116.57 119.92 2x3x h LYS 138 Ca 0.07 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2x3x h LYS 138 Cb 0.27 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2x3x h LYS 138 CO 0.00 0.04 0.00 0.00 -2.27 0.00 0.00 179.45 177.22 2x3x h ALA 139 N 1.09 1.00 0.00 5.00 0.00 -1.33 -3.05 119.26 121.97 2x3x h ALA 139 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2x3x h ALA 139 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2x3x h ALA 139 CO -0.08 0.00 -2.04 0.94 0.00 0.00 0.00 179.25 178.07 2x3x n GLN 140 N -2.92 0.70 -0.33 0.00 7.27 -0.57 -4.70 117.38 116.83 2x3x n GLN 140 Ca -0.01 -0.14 0.13 0.00 0.07 0.00 0.00 57.00 57.06 2x3x n GLN 140 Cb 0.19 -1.49 0.27 0.00 2.41 0.00 0.00 30.24 31.63 2x3x n GLN 140 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2x3x h LYS 141 N 0.00 0.04 0.02 3.69 3.64 -0.50 0.21 116.57 123.66 2x3x h LYS 141 Ca -0.15 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 2x3x h LYS 141 Cb 1.28 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2x3x h LYS 141 CO 0.01 0.03 -0.19 -1.35 -2.27 0.00 0.00 179.45 175.67 2x3x h PRO 142 N 0.04 0.10 -0.80 1.90 0.11 -1.84 -2.86 132.00 128.65 2x3x h PRO 142 Ca 0.57 -0.13 0.09 0.00 0.11 0.00 0.00 66.00 66.64 2x3x h PRO 142 Cb 1.16 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 2x3x h PRO 142 CO -0.86 0.96 0.52 2.35 -0.21 0.00 0.00 178.00 180.76 2x3x h TRP 143 N -0.70 0.80 -0.43 0.65 2.91 -1.76 0.25 115.95 117.67 2x3x h TRP 143 Ca -0.03 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.10 2x3x h TRP 143 Cb 1.04 -0.26 -0.09 0.00 -0.51 0.00 0.00 29.16 29.34 2x3x h TRP 143 CO 0.22 0.38 -0.16 0.00 -1.03 0.00 0.00 178.44 177.85 2x3x h ALA 144 N 1.59 0.19 -0.25 2.65 0.00 -0.62 -2.75 119.26 120.07 2x3x h ALA 144 Ca 0.37 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2x3x h ALA 144 Cb 0.43 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2x3x h ALA 144 CO -0.14 -0.51 0.16 -0.22 0.00 0.00 0.00 179.25 178.54 2x3x h LYS 145 N -0.07 0.33 -0.99 0.00 3.64 -0.32 -2.57 116.57 116.60 2x3x h LYS 145 Ca 0.21 -0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.73 2x3x h LYS 145 Cb 0.39 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.03 2x3x h LYS 145 CO -0.48 0.24 0.60 0.87 -2.27 0.00 0.00 179.45 178.41 2x3x h LYS 146 N 0.33 0.79 -0.27 1.90 6.56 -1.05 -1.32 116.57 123.50 2x3x h LYS 146 Ca 0.09 -0.05 -0.17 0.00 -1.06 0.00 0.00 60.65 59.46 2x3x h LYS 146 Cb -0.02 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.46 2x3x h LYS 146 CO -0.02 0.52 -0.50 0.52 -2.06 0.00 0.00 179.45 177.91 2x3x h MET 147 N 0.82 0.82 -0.21 3.15 2.86 -1.17 2.76 114.93 123.96 2x3x h MET 147 Ca 0.55 -0.52 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 2x3x h MET 147 Cb 0.76 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 2x3x h MET 147 CO -0.35 1.15 -0.24 0.87 1.06 0.00 0.00 176.91 179.40 2x3x h LYS 148 N 0.59 0.38 0.00 1.72 1.57 -1.49 -1.20 116.57 118.14 2x3x h LYS 148 Ca 0.01 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 2x3x h LYS 148 Cb 1.11 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2x3x h LYS 148 CO 0.11 0.60 -0.20 1.49 -0.57 0.00 0.00 179.45 180.88 2x3x h GLU 149 N 0.34 0.00 0.00 3.15 4.81 -0.52 -0.18 114.58 122.18 2x3x h GLU 149 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2x3x h GLU 149 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2x3x h GLU 149 CO 0.04 0.20 -0.03 1.25 -0.73 0.00 0.00 179.01 179.74 2x3x h LEU 150 N 0.00 0.03 -1.60 1.64 7.12 0.50 -3.25 115.31 119.74 2x3x h LEU 150 Ca -0.00 -0.81 -0.03 0.00 0.13 0.00 0.00 57.88 57.17 2x3x h LEU 150 Cb 1.13 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 41.25 2x3x h LEU 150 CO 0.03 0.83 -0.13 -0.08 -0.13 0.00 0.00 178.44 178.96 2x3x h GLU 151 N -0.77 0.00 -0.32 1.25 4.57 -1.23 -0.81 114.58 117.27 2x3x h GLU 151 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2x3x h GLU 151 Cb 0.84 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 2x3x h GLU 151 CO 0.01 0.13 0.13 0.00 -1.18 0.00 0.00 179.01 178.09 2x3x h ALA 152 N 1.87 1.63 0.00 2.92 0.00 -1.10 -0.60 119.26 123.98 2x3x h ALA 152 Ca -0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 2x3x h ALA 152 Cb 0.50 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2x3x h ALA 152 CO 0.02 0.30 -1.77 0.00 0.00 0.00 0.00 179.25 177.79 2x3x n ALA 153 N -2.48 1.71 0.04 0.00 0.00 -0.58 -2.90 120.51 116.30 2x3x n ALA 153 Ca 0.02 -0.80 -0.13 0.00 0.00 0.00 0.00 53.44 52.53 2x3x n ALA 153 Cb 0.13 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 2x3x n ALA 153 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2x3x h LYS 154 N 0.00 -0.12 -0.85 0.00 3.64 -1.14 0.42 116.57 118.52 2x3x h LYS 154 Ca -0.29 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.16 2x3x h LYS 154 Cb 1.87 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.66 2x3x h LYS 154 CO 0.05 0.25 0.56 0.87 -2.27 0.00 0.00 179.45 178.91 2x3x h LYS 155 N -0.51 0.93 -0.45 1.90 1.57 -1.28 0.21 116.57 118.94 2x3x h LYS 155 Ca -0.01 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 2x3x h LYS 155 Cb 0.43 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2x3x h LYS 155 CO 0.02 0.61 -0.14 0.00 -0.57 0.00 0.00 179.45 179.38 2x3x h ALA 156 N 1.54 0.62 0.16 3.86 0.00 -1.39 -1.59 119.26 122.45 2x3x h ALA 156 Ca 0.36 -0.35 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 2x3x h ALA 156 Cb 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 17.79 17.86 2x3x h ALA 156 CO -0.13 0.54 -1.31 -0.92 0.00 0.00 0.00 179.25 177.42 2x3x h TYR 157 N 0.72 0.94 0.00 0.00 5.03 -0.65 -2.38 116.97 120.63 2x3x h TYR 157 Ca 0.11 -0.63 -0.01 0.00 2.58 0.00 0.00 58.73 60.78 2x3x h TYR 157 Cb 0.69 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.91 2x3x h TYR 157 CO 0.05 1.47 -0.04 0.45 -1.32 0.00 0.00 178.16 178.77 2x3x h HIS 158 N 0.22 0.00 0.05 -3.82 3.86 -0.62 -1.78 115.15 113.05 2x3x h HIS 158 Ca -0.20 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.93 2x3x h HIS 158 Cb 1.99 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.47 2x3x h HIS 158 CO 0.11 0.04 -0.32 1.25 0.86 0.00 0.00 177.93 179.88 2x3x h LEU 159 N 0.00 0.20 -1.21 2.43 5.85 -1.22 -3.25 115.31 118.11 2x3x h LEU 159 Ca -0.00 -0.94 -0.03 0.00 0.84 0.00 0.00 57.88 57.74 2x3x h LEU 159 Cb 0.16 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2x3x h LEU 159 CO 0.01 1.12 0.16 0.00 -0.34 0.00 0.00 178.44 179.39 2x3x h ALA 160 N 0.08 1.37 0.00 1.25 0.00 -1.21 -0.76 119.26 119.99 2x3x h ALA 160 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2x3x h ALA 160 Cb 1.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2x3x h ALA 160 CO 0.06 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2x3x h LYS 162 N 0.00 0.32 -0.51 0.00 3.64 -1.47 -3.18 116.57 115.36 2x3x h LYS 162 Ca 0.00 -0.54 0.03 0.00 -1.27 0.00 0.00 60.65 58.87 2x3x h LYS 162 Cb 0.65 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 2x3x h LYS 162 CO 0.00 1.20 0.34 1.49 -2.27 0.00 0.00 179.45 180.21 2x3x h GLU 163 N 0.09 0.57 0.00 1.90 4.57 -0.72 -2.04 114.58 118.95 2x3x h GLU 163 Ca -0.28 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 57.74 2x3x h GLU 163 Cb 2.06 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 30.50 2x3x h GLU 163 CO 0.17 0.38 -1.13 1.49 -1.18 0.00 0.00 179.01 178.74 2x3x h GLU 164 N 0.59 0.00 0.69 1.92 4.81 -1.55 -3.11 114.58 117.94 2x3x h GLU 164 Ca 0.20 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2x3x h GLU 164 Cb 0.09 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.47 2x3x h GLU 164 CO -0.05 0.26 -0.33 -0.09 -0.73 0.00 0.00 179.01 178.07 2x3x h ARG 165 N 0.00 -0.90 -0.03 1.92 9.65 -1.35 -1.98 114.38 121.69 2x3x h ARG 165 Ca -0.10 0.06 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 2x3x h ARG 165 Cb 1.42 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 30.19 2x3x h ARG 165 CO 0.04 -0.58 -0.29 1.25 2.80 0.00 0.00 179.97 183.19 2x3x h LEU 166 N -1.01 0.04 0.00 3.80 6.46 -1.66 -2.34 115.31 120.60 2x3x h LEU 166 Ca -0.10 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 2x3x h LEU 166 Cb 0.74 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 2x3x h LEU 166 CO 0.16 0.34 0.00 0.00 -0.62 0.00 0.00 178.44 178.32 2x3x n ALA 167 N -2.48 1.84 0.89 1.25 0.00 -1.10 -1.84 120.51 119.07 2x3x n ALA 167 Ca -0.02 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.47 2x3x n ALA 167 Cb 0.35 -1.25 0.21 0.00 0.00 0.00 0.00 19.45 18.75 2x3x n ALA 167 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2x3x n MET 168 N -1.31 2.25 0.22 0.00 0.00 -0.76 -4.13 117.12 113.39 2x3x n MET 168 Ca 0.07 -1.85 0.11 0.00 -0.00 0.00 0.00 57.70 56.03 2x3x n MET 168 Cb 0.13 -1.47 0.29 0.00 0.00 0.00 0.00 33.22 32.17 2x3x n MET 168 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2x3x h THR 169 N 4.18 0.24 0.12 1.12 2.02 -1.48 -3.52 112.91 115.58 2x3x h THR 169 Ca 0.00 -1.14 -0.17 0.00 0.77 0.00 0.00 66.41 65.86 2x3x h THR 169 Cb 0.90 1.94 0.02 0.00 -1.74 0.00 0.00 68.15 69.27 2x3x h THR 169 CO 0.00 0.12 -0.79 0.17 0.37 0.00 0.00 175.52 175.39 2x3x h LEU 188 N 0.00 0.40 -0.83 2.58 8.10 -2.04 -3.53 115.31 119.98 2x3x h LEU 188 Ca -0.00 -0.94 -0.01 0.00 0.11 0.00 0.00 57.88 57.04 2x3x h LEU 188 Cb 0.93 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 41.02 2x3x h LEU 188 CO 0.02 1.37 -0.03 0.58 -4.11 0.00 0.00 178.44 176.27 2x3x h VAL 189 N -0.45 0.06 -0.22 0.15 2.07 -1.99 -3.03 116.25 112.85 2x3x h VAL 189 Ca -0.15 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2x3x h VAL 189 Cb 1.58 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2x3x h VAL 189 CO 0.12 0.03 0.00 0.47 0.02 0.00 0.00 177.57 178.21 2x3x n ASP 190 N -3.12 1.80 0.13 0.57 10.43 -1.26 -3.08 116.55 122.02 2x3x n ASP 190 Ca 0.02 -2.12 -0.02 0.00 2.57 0.00 0.00 54.79 55.24 2x3x n ASP 190 Cb 0.41 -0.32 0.17 0.00 1.84 0.00 0.00 41.12 43.22 2x3x n ASP 190 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 2x3x h LYS 191 N 1.36 0.04 -1.94 -1.24 1.79 -1.82 -1.44 116.57 113.32 2x3x h LYS 191 Ca 0.00 -0.03 -0.60 0.00 -2.18 0.00 0.00 60.65 57.84 2x3x h LYS 191 Cb 0.59 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.84 2x3x h LYS 191 CO 0.07 0.63 -0.56 0.28 -1.08 0.00 0.00 179.45 178.78 2x3x n VAL 192 N -3.84 2.91 0.15 0.50 0.31 -1.18 -4.18 118.33 113.00 2x3x n VAL 192 Ca -0.01 -5.28 0.00 0.00 -0.01 0.00 0.00 64.34 59.04 2x3x n VAL 192 Cb 0.60 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2x3x n VAL 192 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2x3x n ASP 193 N -0.35 -2.65 0.18 4.52 2.03 -1.23 -4.58 116.55 114.46 2x3x n ASP 193 Ca 0.36 0.57 0.04 0.00 0.52 0.00 0.00 54.79 56.28 2x3x n ASP 193 Cb 0.50 2.65 0.45 0.00 -0.72 0.00 0.00 41.12 43.99 2x3x n ASP 193 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2x3x h LYS 194 N 0.00 0.09 0.10 -0.67 1.63 -1.55 -0.83 116.57 115.33 2x3x h LYS 194 Ca 0.00 -0.02 -0.34 0.00 -0.85 0.00 0.00 60.65 59.44 2x3x h LYS 194 Cb 0.00 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 2x3x h LYS 194 CO 0.00 0.27 -1.84 0.00 -3.45 0.00 0.00 179.45 174.44 2x3x h ARG 196 N 0.05 0.82 0.00 0.00 2.43 -1.76 -1.32 114.38 114.61 2x3x h ARG 196 Ca -0.36 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.70 2x3x h ARG 196 Cb 2.03 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.39 2x3x h ARG 196 CO 0.10 0.54 -0.31 0.37 -1.51 0.00 0.00 179.97 179.17 2x3x h GLN 197 N 0.84 0.00 -0.04 0.20 4.15 -1.31 -2.97 115.11 115.98 2x3x h GLN 197 Ca 0.28 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.56 2x3x h GLN 197 Cb 0.03 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 2x3x h GLN 197 CO -0.11 0.31 -0.65 0.22 -1.93 0.00 0.00 178.83 176.67 2x3x h ASP 198 N 0.00 0.17 1.70 -0.69 1.82 -1.32 -3.09 116.42 115.01 2x3x h ASP 198 Ca -0.00 -0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 2x3x h ASP 198 Cb 0.57 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 2x3x h ASP 198 CO 0.04 0.77 -0.31 0.58 -1.61 0.00 0.00 179.24 178.71 2x3x h VAL 199 N 0.10 0.13 0.06 2.25 2.07 -1.17 -2.95 116.25 116.73 2x3x h VAL 199 Ca -0.01 -1.19 -0.29 0.00 0.82 0.00 0.00 66.70 66.03 2x3x h VAL 199 Cb 1.16 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.86 2x3x h VAL 199 CO 0.09 0.07 -1.57 0.06 0.02 0.00 0.00 177.57 176.25 2x3x h GLN 200 N 0.00 0.12 -0.00 1.57 3.07 -1.58 -3.13 115.11 115.16 2x3x h GLN 200 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 58.65 58.53 2x3x h GLN 200 Cb 1.07 0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.70 2x3x h GLN 200 CO 0.01 0.87 -0.26 1.17 0.09 0.00 0.00 178.83 180.71 2x3x n LYS 201 N -3.28 0.01 0.10 0.06 4.81 -1.17 -1.89 118.16 116.79 2x3x n LYS 201 Ca -0.16 -0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.36 2x3x n LYS 201 Cb 1.03 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.57 2x3x n LYS 201 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2x3x h THR 202 N 0.01 0.15 0.00 3.15 1.03 -1.64 -3.25 112.91 112.36 2x3x h THR 202 Ca 0.00 -1.29 -0.07 0.00 -0.01 0.00 0.00 66.41 65.05 2x3x h THR 202 Cb 0.50 1.70 -0.01 0.00 -1.07 0.00 0.00 68.15 69.27 2x3x h THR 202 CO 0.00 0.09 -0.53 -0.61 -0.01 0.00 0.00 175.52 174.46 2x3x h GLN 203 N 0.00 0.00 -0.03 0.00 4.15 -1.46 -2.70 115.11 115.08 2x3x h GLN 203 Ca -0.04 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.22 2x3x h GLN 203 Cb 1.16 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 2x3x h GLN 203 CO 0.01 0.24 -0.70 1.49 -1.93 0.00 0.00 178.83 177.95 2x3x h GLU 204 N 0.00 0.14 0.10 1.69 4.81 -1.47 -1.80 114.58 118.05 2x3x h GLU 204 Ca -0.02 -0.11 -0.26 0.00 -0.13 0.00 0.00 59.36 58.83 2x3x h GLU 204 Cb 1.23 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.64 2x3x h GLU 204 CO 0.03 0.78 -1.18 -0.22 -0.73 0.00 0.00 179.01 177.70 2x3x h LYS 205 N 0.09 0.32 0.11 1.92 1.63 -1.61 -2.91 116.57 116.12 2x3x h LYS 205 Ca -0.02 -0.48 -0.01 0.00 -0.85 0.00 0.00 60.65 59.30 2x3x h LYS 205 Cb 1.24 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.04 2x3x h LYS 205 CO 0.10 1.20 -0.05 -0.92 -3.45 0.00 0.00 179.45 176.33 2x3x h TYR 206 N 0.12 -0.14 -0.64 1.91 -0.00 -1.49 -2.34 116.97 114.39 2x3x h TYR 206 Ca -0.13 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.56 2x3x h TYR 206 Cb 1.88 0.05 -0.03 0.00 -0.00 0.00 0.00 36.73 38.63 2x3x h TYR 206 CO 0.07 0.23 0.24 0.93 -0.00 0.00 0.00 178.16 179.63 2x3x h GLU 207 N -0.54 0.97 -0.39 1.82 5.08 -1.46 0.18 114.58 120.24 2x3x h GLU 207 Ca -0.02 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 2x3x h GLU 207 Cb 0.43 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2x3x h GLU 207 CO 0.03 0.83 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.51 2x3x h LYS 208 N 0.91 0.78 -0.00 2.33 3.64 -1.60 0.16 116.57 122.79 2x3x h LYS 208 Ca 0.21 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2x3x h LYS 208 Cb 0.23 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2x3x h LYS 208 CO -0.01 0.93 0.00 0.28 -2.27 0.00 0.00 179.45 178.38 2x3x h VAL 209 N 0.58 1.20 -0.80 2.00 2.07 -1.37 -2.78 116.25 117.16 2x3x h VAL 209 Ca 0.09 -0.59 0.11 0.00 0.82 0.00 0.00 66.70 67.14 2x3x h VAL 209 Cb 0.67 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.98 2x3x h VAL 209 CO 0.05 0.15 0.53 0.25 0.02 0.00 0.00 177.57 178.56 2x3x h LEU 210 N -0.25 0.62 0.15 2.57 5.85 -0.50 -0.98 115.31 122.76 2x3x h LEU 210 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2x3x h LEU 210 Cb 0.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2x3x h LEU 210 CO 0.00 0.35 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.30 2x3x h GLU 211 N 0.67 -0.19 -0.12 1.25 4.81 -0.65 -3.17 114.58 117.18 2x3x h GLU 211 Ca 0.38 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.58 2x3x h GLU 211 Cb 0.56 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2x3x h GLU 211 CO -0.15 0.04 -0.12 0.22 -0.73 0.00 0.00 179.01 178.26 2x3x h ASP 212 N -0.39 0.18 -0.94 1.04 -0.00 -1.11 -1.84 116.42 113.36 2x3x h ASP 212 Ca -0.02 -0.03 0.08 0.00 -0.00 0.00 0.00 57.03 57.06 2x3x h ASP 212 Cb 0.31 -0.05 -0.07 0.00 -0.00 0.00 0.00 39.33 39.53 2x3x h ASP 212 CO 0.03 0.33 0.61 0.58 -0.00 0.00 0.00 179.24 180.79 2x3x h VAL 213 N 0.18 1.03 0.03 2.25 2.07 -1.18 -2.03 116.25 118.60 2x3x h VAL 213 Ca 0.04 -0.35 -0.22 0.00 0.82 0.00 0.00 66.70 66.99 2x3x h VAL 213 Cb 0.34 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2x3x h VAL 213 CO 0.02 0.19 -1.02 1.23 0.02 0.00 0.00 177.57 178.01 2x3x h GLY 214 N 1.03 0.07 1.53 2.17 0.00 -1.33 -3.02 103.07 103.52 2x3x h GLY 214 Ca 0.42 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.46 2x3x h GLY 214 CO -0.18 0.16 -0.31 0.50 0.00 0.00 0.00 176.54 176.71 2x3x h LYS 215 N 0.02 0.53 0.00 4.80 1.57 -1.15 -2.99 116.57 119.36 2x3x h LYS 215 Ca -0.04 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2x3x h LYS 215 Cb 1.76 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.05 2x3x h LYS 215 CO 0.14 0.78 -0.10 0.25 -0.57 0.00 0.00 179.45 179.96 2x3x n THR 216 N -4.08 0.19 -0.13 -0.16 -2.24 -0.79 -4.33 114.28 102.75 2x3x n THR 216 Ca -0.01 -0.10 -0.05 0.00 -2.27 0.00 0.00 64.05 61.62 2x3x n THR 216 Cb 0.45 -0.42 0.04 0.00 -2.10 0.00 0.00 70.33 68.30 2x3x n THR 216 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2x3x h THR 217 N 0.00 0.83 -0.25 4.28 2.02 -1.38 -2.45 112.91 115.95 2x3x h THR 217 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2x3x h THR 217 Cb 0.58 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2x3x h THR 217 CO 0.00 0.05 0.16 -0.65 0.37 0.00 0.00 175.52 175.44 2x3x h PRO 218 N 0.26 0.33 -0.68 6.66 0.11 -1.78 0.52 132.00 137.42 2x3x h PRO 218 Ca 0.20 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.41 2x3x h PRO 218 Cb 0.21 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 2x3x h PRO 218 CO -0.23 0.24 0.46 0.37 -0.21 0.00 0.00 178.00 178.63 2x3x h GLN 219 N 0.32 0.38 0.14 1.05 4.15 -1.82 -0.46 115.11 118.87 2x3x h GLN 219 Ca 0.09 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2x3x h GLN 219 Cb -0.01 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2x3x h GLN 219 CO -0.02 0.25 -0.07 -0.92 -1.93 0.00 0.00 178.83 176.15 2x3x h TYR 220 N 0.40 -0.17 0.46 3.99 3.20 -0.46 -1.14 116.97 123.25 2x3x h TYR 220 Ca 0.33 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 2x3x h TYR 220 Cb 0.73 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.06 2x3x h TYR 220 CO -0.00 0.09 -0.22 0.52 -1.64 0.00 0.00 178.16 176.91 2x3x h MET 221 N -0.43 -0.60 -0.75 1.82 2.86 -0.83 -1.61 114.93 115.39 2x3x h MET 221 Ca -0.02 0.04 0.17 0.00 -2.06 0.00 0.00 59.70 57.83 2x3x h MET 221 Cb 0.34 0.14 -0.11 0.00 0.06 0.00 0.00 31.60 32.02 2x3x h MET 221 CO 0.03 -0.34 0.17 1.49 1.06 0.00 0.00 176.91 179.33 2x3x h GLU 222 N -0.75 0.25 -0.70 1.72 4.81 -1.15 1.06 114.58 119.82 2x3x h GLU 222 Ca -0.06 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 2x3x h GLU 222 Cb 0.54 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2x3x h GLU 222 CO 0.10 0.16 0.29 0.78 -0.73 0.00 0.00 179.01 179.61 2x3x h GLY 223 N 0.25 1.10 0.62 1.92 0.00 -1.07 -0.38 103.07 105.51 2x3x h GLY 223 Ca 0.43 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 2x3x h GLY 223 CO -0.54 0.54 -0.50 -0.33 0.00 0.00 0.00 176.54 175.71 2x3x h MET 224 N 1.00 0.29 -0.81 4.80 2.86 0.23 -3.00 114.93 120.32 2x3x h MET 224 Ca 0.24 -0.35 0.17 0.00 -2.06 0.00 0.00 59.70 57.70 2x3x h MET 224 Cb 0.18 0.11 -0.11 0.00 0.06 0.00 0.00 31.60 31.84 2x3x h MET 224 CO -0.02 1.07 0.31 0.93 1.06 0.00 0.00 176.91 180.25 2x3x h GLU 225 N -0.33 0.38 0.00 1.72 4.39 0.11 0.18 114.58 121.04 2x3x h GLU 225 Ca -0.07 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 2x3x h GLU 225 Cb 1.27 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2x3x h GLU 225 CO 0.10 0.25 -0.50 1.96 -1.16 0.00 0.00 179.01 179.66 2x3x h GLN 226 N 0.39 0.00 0.10 2.33 4.20 -1.10 -0.69 115.11 120.34 2x3x h GLN 226 Ca 0.47 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.17 2x3x h GLN 226 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2x3x h GLN 226 CO -0.47 0.50 -0.05 0.28 -0.67 0.00 0.00 178.83 178.42 2x3x h VAL 227 N 0.00 0.94 -0.77 -0.54 2.07 -1.16 -3.32 116.25 113.47 2x3x h VAL 227 Ca -0.00 -1.37 0.18 0.00 0.82 0.00 0.00 66.70 66.33 2x3x h VAL 227 Cb 0.91 1.66 -0.13 0.00 -1.52 0.00 0.00 31.29 32.21 2x3x h VAL 227 CO 0.06 0.27 0.08 0.15 0.02 0.00 0.00 177.57 178.16 2x3x h PHE 228 N -0.90 0.09 -0.54 1.57 3.04 -0.60 -1.36 116.94 118.24 2x3x h PHE 228 Ca -0.01 0.05 0.11 0.00 3.98 0.00 0.00 57.97 62.10 2x3x h PHE 228 Cb 0.55 0.08 -0.09 0.00 2.56 0.00 0.00 35.95 39.05 2x3x h PHE 228 CO 0.11 -0.20 -0.03 1.49 -2.02 0.00 0.00 178.31 177.66 2x3x h GLU 229 N 0.15 0.08 -0.61 1.11 4.57 -1.25 0.36 114.58 119.00 2x3x h GLU 229 Ca 0.44 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.76 2x3x h GLU 229 Cb 0.79 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 2x3x h GLU 229 CO -0.63 0.06 0.42 1.96 -1.18 0.00 0.00 179.01 179.64 2x3x h GLN 230 N 0.09 0.15 -0.09 1.92 4.20 -1.34 -0.58 115.11 119.46 2x3x h GLN 230 Ca 0.27 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.80 2x3x h GLN 230 Cb 0.42 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.18 2x3x h GLN 230 CO -0.48 0.10 -0.61 0.00 -0.67 0.00 0.00 178.83 177.17 2x3x h GLN 232 N 0.19 0.96 -0.16 0.00 1.08 -0.49 0.15 115.11 116.85 2x3x h GLN 232 Ca -0.05 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 2x3x h GLN 232 Cb 1.26 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.47 2x3x h GLN 232 CO 0.12 0.63 0.02 1.96 -0.95 0.00 0.00 178.83 180.62 2x3x h GLN 233 N 0.98 0.27 -0.14 1.46 1.08 -1.08 0.21 115.11 117.89 2x3x h GLN 233 Ca 0.42 -0.08 -0.17 0.00 -1.45 0.00 0.00 58.65 57.38 2x3x h GLN 233 Cb 0.33 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2x3x h GLN 233 CO -0.18 0.46 -0.62 0.35 -0.95 0.00 0.00 178.83 177.89 2x3x h PHE 234 N 0.05 0.65 -0.32 2.96 -0.00 -1.11 -2.39 116.94 116.78 2x3x h PHE 234 Ca 0.05 -0.25 -0.07 0.00 -0.00 0.00 0.00 57.97 57.69 2x3x h PHE 234 Cb 0.33 -0.11 -0.02 0.00 -0.00 0.00 0.00 35.95 36.15 2x3x h PHE 234 CO 0.02 0.99 -0.12 1.49 -0.00 0.00 0.00 178.31 180.70 2x3x h GLU 235 N 0.37 0.54 -0.24 1.11 4.57 -0.68 -2.91 114.58 117.34 2x3x h GLU 235 Ca -0.01 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 2x3x h GLU 235 Cb 1.18 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2x3x h GLU 235 CO 0.11 0.66 0.08 1.49 -1.18 0.00 0.00 179.01 180.17 2x3x h GLU 236 N 0.50 0.37 -1.07 1.92 4.81 -0.77 -2.57 114.58 117.77 2x3x h GLU 236 Ca 0.09 -0.08 0.29 0.00 -0.13 0.00 0.00 59.36 59.53 2x3x h GLU 236 Cb 0.51 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.75 2x3x h GLU 236 CO 0.03 0.45 0.71 0.87 -0.73 0.00 0.00 179.01 180.33 2x3x h LYS 237 N 0.22 0.29 -0.06 1.92 6.56 -1.24 0.12 116.57 124.39 2x3x h LYS 237 Ca 0.08 -0.02 -0.20 0.00 -1.06 0.00 0.00 60.65 59.45 2x3x h LYS 237 Cb 0.23 -0.07 0.01 0.00 -0.57 0.00 0.00 32.23 31.84 2x3x h LYS 237 CO -0.00 0.19 -0.76 -0.09 -2.06 0.00 0.00 179.45 176.73 2x3x h ARG 238 N 0.30 0.61 -0.16 3.15 2.43 -1.40 -2.92 114.38 116.40 2x3x h ARG 238 Ca 0.59 -0.59 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2x3x h ARG 238 Cb 1.68 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.37 2x3x h ARG 238 CO -0.25 1.20 0.00 -0.07 -1.51 0.00 0.00 179.97 179.35 2x3x h LEU 239 N 0.24 0.27 -0.72 3.80 3.38 -0.45 0.77 115.31 122.60 2x3x h LEU 239 Ca -0.08 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.64 2x3x h LEU 239 Cb 1.42 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.05 2x3x h LEU 239 CO 0.15 0.51 0.43 -0.37 0.09 0.00 0.00 178.44 179.25 2x3x h VAL 240 N 0.02 1.02 -0.29 1.22 -1.51 -1.22 -0.77 116.25 114.71 2x3x h VAL 240 Ca 0.04 -0.27 -0.06 0.00 -1.23 0.00 0.00 66.70 65.18 2x3x h VAL 240 Cb 0.37 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.68 2x3x h VAL 240 CO 0.01 0.14 -0.04 0.15 -1.23 0.00 0.00 177.57 176.60 2x3x h PHE 241 N 0.79 0.61 -0.35 5.19 3.04 -1.28 -2.76 116.94 122.18 2x3x h PHE 241 Ca 0.31 -0.12 0.04 0.00 3.98 0.00 0.00 57.97 62.18 2x3x h PHE 241 Cb 0.14 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.46 2x3x h PHE 241 CO -0.06 0.72 0.14 1.25 -2.02 0.00 0.00 178.31 178.34 2x3x h LEU 242 N 0.32 0.17 -1.30 0.59 5.85 0.86 -2.09 115.31 119.71 2x3x h LEU 242 Ca 0.08 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2x3x h LEU 242 Cb 0.51 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2x3x h LEU 242 CO 0.02 0.13 0.29 0.50 -0.34 0.00 0.00 178.44 179.04 2x3x h LYS 243 N 0.30 0.76 -0.12 1.25 3.64 -1.11 -0.62 116.57 120.67 2x3x h LYS 243 Ca 0.16 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 2x3x h LYS 243 Cb 0.11 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2x3x h LYS 243 CO -0.14 0.58 -0.46 1.49 -2.27 0.00 0.00 179.45 178.64 2x3x h GLU 244 N 0.77 0.30 0.04 1.90 4.81 -1.21 -2.36 114.58 118.83 2x3x h GLU 244 Ca 0.20 -0.16 -0.23 0.00 -0.13 0.00 0.00 59.36 59.04 2x3x h GLU 244 Cb 0.05 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2x3x h GLU 244 CO -0.03 0.71 -1.07 0.28 -0.73 0.00 0.00 179.01 178.17 2x3x h VAL 245 N 0.24 1.62 -0.26 0.32 2.07 -0.62 -1.12 116.25 118.51 2x3x h VAL 245 Ca 0.02 -3.22 -0.09 0.00 0.82 0.00 0.00 66.70 64.22 2x3x h VAL 245 Cb 0.91 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 2x3x h VAL 245 CO 0.08 0.93 -0.23 -0.07 0.02 0.00 0.00 177.57 178.29 2x3x h LEU 246 N 0.03 0.49 0.10 2.57 3.38 -1.15 -1.22 115.31 119.52 2x3x h LEU 246 Ca -0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2x3x h LEU 246 Cb 1.81 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2x3x h LEU 246 CO 0.15 0.72 -0.05 -0.07 0.09 0.00 0.00 178.44 179.29 2x3x h LEU 247 N 0.44 -0.12 -0.87 1.67 3.38 -1.38 -1.74 115.31 116.69 2x3x h LEU 247 Ca 0.07 -0.29 0.16 0.00 0.09 0.00 0.00 57.88 57.91 2x3x h LEU 247 Cb 0.64 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.32 2x3x h LEU 247 CO 0.05 0.24 0.45 0.44 0.09 0.00 0.00 178.44 179.70 2x3x h ASP 248 N -0.49 0.53 -0.48 -0.43 3.45 -1.12 -1.48 116.42 116.40 2x3x h ASP 248 Ca -0.01 0.10 -0.12 0.00 0.43 0.00 0.00 57.03 57.42 2x3x h ASP 248 Cb 0.40 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 2x3x h ASP 248 CO 0.02 0.20 -0.18 0.40 -1.57 0.00 0.00 179.24 178.11 2x3x h ILE 249 N 0.61 1.27 0.14 0.35 2.04 -1.20 -2.29 117.51 118.43 2x3x h ILE 249 Ca 0.49 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 65.02 2x3x h ILE 249 Cb 0.73 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 2x3x h ILE 249 CO -0.38 0.46 -0.29 0.50 0.00 0.00 0.00 178.15 178.44 2x3x h LYS 250 N 0.83 -0.50 -0.72 2.37 3.64 -0.34 -1.42 116.57 120.43 2x3x h LYS 250 Ca 0.11 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 2x3x h LYS 250 Cb 0.76 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.62 2x3x h LYS 250 CO 0.06 -0.34 0.37 0.00 -2.27 0.00 0.00 179.45 177.27 2x3x h ARG 251 N -0.52 0.61 0.00 1.90 3.08 -1.33 -0.82 114.38 117.29 2x3x h ARG 251 Ca 0.03 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2x3x h ARG 251 Cb 0.54 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2x3x h ARG 251 CO -0.16 0.40 -0.12 0.45 -1.07 0.00 0.00 179.97 179.48 2x3x h HIS 252 N 0.63 0.00 0.00 3.04 3.86 -1.02 -2.83 115.15 118.83 2x3x h HIS 252 Ca 0.35 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.53 2x3x h HIS 252 Cb 0.35 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2x3x h HIS 252 CO -0.10 0.12 -1.09 1.28 0.86 0.00 0.00 177.93 179.00 2x3x n LEU 253 N -3.38 0.84 -4.42 2.43 4.77 -0.39 -4.69 117.00 112.16 2x3x n LEU 253 Ca -0.01 0.33 -0.40 0.00 -0.03 0.00 0.00 56.01 55.90 2x3x n LEU 253 Cb 0.30 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 2x3x n LEU 253 CO 0.30 -0.13 2.01 -3.20 -1.33 0.00 0.00 177.39 175.03 2x3x n ASN 254 N -2.71 4.36 0.15 -1.43 5.15 -0.77 -4.75 115.26 115.27 2x3x n ASN 254 Ca -0.02 -2.86 0.13 0.00 -0.60 0.00 0.00 54.58 51.23 2x3x n ASN 254 Cb 0.60 -1.71 0.50 0.00 -0.53 0.00 0.00 39.78 38.64 2x3x n ASN 254 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2x3x h LEU 255 N 13.15 0.00 -0.28 1.20 3.38 -1.88 -3.26 115.31 127.62 2x3x h LEU 255 Ca 0.43 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.40 2x3x h LEU 255 Cb 0.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2x3x h LEU 255 CO 1.50 0.00 0.18 0.00 0.09 0.00 0.00 178.44 180.21 2x3x h ALA 256 N 2.26 0.35 -0.00 1.53 0.00 -1.99 -2.40 119.26 119.01 2x3x h ALA 256 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2x3x h ALA 256 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2x3x h ALA 256 CO 0.00 -0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.45 2x3x n GLU 257 N -4.91 1.14 -2.31 0.00 1.02 -1.23 -4.86 120.64 109.49 2x3x n GLU 257 Ca -0.02 -0.20 -0.42 0.00 -0.02 0.00 0.00 57.16 56.50 2x3x n GLU 257 Cb 0.03 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 2x3x n GLU 257 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2x3x s ASN 258 N -1.98 6.96 0.02 1.62 3.84 -0.90 -4.94 114.94 119.56 2x3x s ASN 258 Ca 0.45 2.14 -0.18 0.00 0.21 0.00 0.00 52.86 55.48 2x3x s ASN 258 Cb 0.21 -2.58 -0.22 0.00 -0.55 0.00 0.00 41.25 38.12 2x3x s ASN 258 CO 0.36 -0.56 1.15 0.77 -2.79 0.00 0.00 177.10 176.03 2x3x h SER 259 N 6.88 0.61 -0.48 -4.21 4.64 -1.89 -2.96 113.55 116.14 2x3x h SER 259 Ca -0.41 -0.72 0.12 0.00 -0.47 0.00 0.00 61.79 60.31 2x3x h SER 259 Cb 1.21 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 2x3x h SER 259 CO 0.84 1.24 0.34 -1.28 -0.87 0.00 0.00 176.83 177.10 2x3x h SER 260 N 0.02 0.08 0.24 4.97 0.87 -1.96 -0.55 113.55 117.23 2x3x h SER 260 Ca -0.07 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2x3x h SER 260 Cb 1.31 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2x3x h SER 260 CO 0.12 0.05 -0.11 0.22 -0.53 0.00 0.00 176.83 176.58 2x3x h TYR 261 N 0.09 -0.30 -0.94 2.24 5.03 -1.86 -2.71 116.97 118.53 2x3x h TYR 261 Ca 0.23 -0.01 0.27 0.00 2.58 0.00 0.00 58.73 61.81 2x3x h TYR 261 Cb 0.79 0.10 -0.15 0.00 1.55 0.00 0.00 36.73 39.02 2x3x h TYR 261 CO -0.00 0.08 0.38 0.52 -1.32 0.00 0.00 178.16 177.82 2x3x h MET 262 N -0.86 0.25 -0.48 1.82 2.86 -1.22 -1.20 114.93 116.10 2x3x h MET 262 Ca -0.03 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 2x3x h MET 262 Cb 0.51 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2x3x h MET 262 CO 0.05 0.17 -0.09 1.25 1.06 0.00 0.00 176.91 179.35 2x3x h HIS 263 N 0.26 1.02 -0.85 -0.22 -0.00 -1.15 -1.63 115.15 112.58 2x3x h HIS 263 Ca 0.63 -0.21 0.19 0.00 -0.00 0.00 0.00 60.37 60.98 2x3x h HIS 263 Cb 1.36 -0.25 -0.11 0.00 -0.00 0.00 0.00 27.41 28.40 2x3x h HIS 263 CO -0.16 0.98 0.35 0.28 -0.00 0.00 0.00 177.93 179.39 2x3x h VAL 264 N 0.76 0.54 0.00 5.26 2.07 -0.87 0.76 116.25 124.77 2x3x h VAL 264 Ca 0.12 -0.14 -0.18 0.00 0.82 0.00 0.00 66.70 67.32 2x3x h VAL 264 Cb 0.64 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2x3x h VAL 264 CO 0.04 0.08 -1.59 -1.22 0.02 0.00 0.00 177.57 174.90 2x3x n TYR 265 N -5.04 0.78 0.02 1.57 4.01 -1.17 -1.87 117.16 115.47 2x3x n TYR 265 Ca 0.19 0.26 -0.01 0.00 -0.16 0.00 0.00 57.90 58.18 2x3x n TYR 265 Cb 0.56 -1.03 0.28 0.00 -0.31 0.00 0.00 39.34 38.85 2x3x n TYR 265 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2x3x h ARG 266 N 0.00 0.46 -0.12 -0.72 3.08 -0.96 -2.32 114.38 113.81 2x3x h ARG 266 Ca -0.20 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 59.61 2x3x h ARG 266 Cb 1.62 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.62 2x3x h ARG 266 CO 0.04 0.57 -0.39 1.49 -1.07 0.00 0.00 179.97 180.60 2x3x h GLU 267 N 0.43 0.48 0.00 0.04 4.81 -0.88 -3.08 114.58 116.39 2x3x h GLU 267 Ca 0.08 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 2x3x h GLU 267 Cb 0.44 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 2x3x h GLU 267 CO 0.02 0.98 -0.16 1.25 -0.73 0.00 0.00 179.01 180.37 2x3x h LEU 268 N 0.08 0.00 -0.32 1.64 7.12 -1.31 -2.02 115.31 120.49 2x3x h LEU 268 Ca -0.01 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.94 2x3x h LEU 268 Cb 1.02 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.13 2x3x h LEU 268 CO 0.08 0.16 0.00 -0.08 -0.13 0.00 0.00 178.44 178.47 2x3x h GLU 269 N 0.00 0.57 0.30 1.25 4.81 -1.41 -2.80 114.58 117.30 2x3x h GLU 269 Ca -0.00 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2x3x h GLU 269 Cb 0.28 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2x3x h GLU 269 CO 0.02 0.70 -0.27 1.96 -0.73 0.00 0.00 179.01 180.69 2x3x h GLN 270 N 0.37 -0.54 -0.95 1.92 4.20 -1.34 0.40 115.11 119.18 2x3x h GLN 270 Ca 0.09 0.04 0.21 0.00 0.06 0.00 0.00 58.65 59.05 2x3x h GLN 270 Cb 0.44 0.12 -0.18 0.00 0.30 0.00 0.00 27.48 28.17 2x3x h GLN 270 CO 0.02 -0.36 -0.15 0.00 -0.67 0.00 0.00 178.83 177.67 2x3x n ALA 271 N -2.53 0.31 0.39 3.87 0.00 -0.81 0.49 120.51 122.24 2x3x n ALA 271 Ca -0.07 1.03 -0.16 0.00 0.00 0.00 0.00 53.44 54.25 2x3x n ALA 271 Cb 0.25 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 2x3x n ALA 271 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2x3x h ILE 272 N 0.00 0.03 -0.78 0.00 2.04 -1.34 -3.13 117.51 114.33 2x3x h ILE 272 Ca 0.50 -0.25 0.21 0.00 1.00 0.00 0.00 64.86 66.31 2x3x h ILE 272 Cb 0.86 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2x3x h ILE 272 CO -0.95 0.00 0.55 0.03 0.00 0.00 0.00 178.15 177.79 2x3x h ARG 273 N -1.25 0.12 0.00 2.37 3.08 0.17 0.12 114.38 118.99 2x3x h ARG 273 Ca -0.10 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2x3x h ARG 273 Cb 0.78 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 2x3x h ARG 273 CO 0.17 0.08 -0.10 0.78 -1.07 0.00 0.00 179.97 179.83 2x3x h GLY 274 N 0.13 0.00 -5.28 0.04 0.00 0.10 -3.44 103.07 94.62 2x3x h GLY 274 Ca 0.38 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.14 2x3x h GLY 274 CO -0.05 0.00 1.02 0.00 0.00 0.00 0.00 176.54 177.51 2x3x n ALA 275 N -2.24 1.46 -3.05 3.60 0.00 0.41 -4.96 120.51 115.74 2x3x n ALA 275 Ca -0.02 0.34 -0.35 0.00 0.00 0.00 0.00 53.44 53.41 2x3x n ALA 275 Cb 0.23 -2.49 -0.12 0.00 0.00 0.00 0.00 19.45 17.07 2x3x n ALA 275 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x3x s ASP 276 N 2.76 4.90 0.01 0.00 3.68 -1.26 -5.02 116.67 121.74 2x3x s ASP 276 Ca 0.85 -0.17 -0.24 0.00 2.13 0.00 0.00 52.55 55.12 2x3x s ASP 276 Cb -0.61 -1.83 -0.13 0.00 -1.45 0.00 0.00 42.92 38.89 2x3x s ASP 276 CO 0.43 0.08 1.06 0.00 0.13 0.00 0.00 175.17 176.87 2x3x h ALA 277 N 7.35 -0.94 -0.01 3.66 0.00 -1.99 -3.30 119.26 124.03 2x3x h ALA 277 Ca -0.35 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2x3x h ALA 277 Cb 1.18 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2x3x h ALA 277 CO 0.62 -0.87 0.00 1.96 0.00 0.00 0.00 179.25 180.96 2x3x h GLN 278 N -1.13 0.01 -0.75 0.00 1.08 -1.98 -2.77 115.11 109.57 2x3x h GLN 278 Ca -0.09 -0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.26 2x3x h GLN 278 Cb 0.66 -0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.95 2x3x h GLN 278 CO 0.15 0.23 -0.19 -1.91 -0.95 0.00 0.00 178.83 176.15 2x3x n GLU 279 N -4.98 -0.07 -0.00 1.46 2.13 -1.26 0.16 120.64 118.08 2x3x n GLU 279 Ca -0.08 1.17 -0.10 0.00 0.66 0.00 0.00 57.16 58.82 2x3x n GLU 279 Cb 0.13 -1.75 0.04 0.00 0.27 0.00 0.00 31.44 30.13 2x3x n GLU 279 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2x3x h ASP 280 N 0.00 0.65 -0.09 4.31 3.45 -1.58 -2.41 116.42 120.75 2x3x h ASP 280 Ca 0.36 -0.35 -0.08 0.00 0.43 0.00 0.00 57.03 57.38 2x3x h ASP 280 Cb 0.55 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 2x3x h ASP 280 CO -0.77 1.08 -0.19 -0.07 -1.57 0.00 0.00 179.24 177.71 2x3x h LEU 281 N 0.45 0.48 -0.34 1.55 4.07 0.18 -2.00 115.31 119.69 2x3x h LEU 281 Ca 0.01 -0.14 -0.08 0.00 0.08 0.00 0.00 57.88 57.74 2x3x h LEU 281 Cb 1.11 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 2x3x h LEU 281 CO 0.11 0.68 -0.10 0.03 -1.08 0.00 0.00 178.44 178.08 2x3x h ARG 282 N 0.44 0.67 -0.52 1.13 3.08 -0.49 -2.44 114.38 116.24 2x3x h ARG 282 Ca 0.07 -0.27 0.09 0.00 0.07 0.00 0.00 59.98 59.94 2x3x h ARG 282 Cb 0.58 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2x3x h ARG 282 CO 0.04 0.85 0.35 2.35 -1.07 0.00 0.00 179.97 182.49 2x3x h TRP 283 N 0.45 0.36 0.09 3.04 7.01 -1.10 -2.51 115.95 123.29 2x3x h TRP 283 Ca 0.08 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 2x3x h TRP 283 Cb 0.62 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.56 2x3x h TRP 283 CO 0.05 0.18 -0.04 0.35 -2.79 0.00 0.00 178.44 176.19 2x3x h PHE 284 N 0.35 -0.11 -0.88 2.65 3.04 -1.17 -1.26 116.94 119.56 2x3x h PHE 284 Ca 0.24 -0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.40 2x3x h PHE 284 Cb 0.48 0.04 -0.13 0.00 2.56 0.00 0.00 35.95 38.90 2x3x h PHE 284 CO -0.00 0.38 0.33 -0.09 -2.02 0.00 0.00 178.31 176.91 2x3x h ARG 285 N -0.68 0.32 0.11 1.11 2.43 -1.03 0.23 114.38 116.87 2x3x h ARG 285 Ca -0.01 -0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 58.84 2x3x h ARG 285 Cb 0.54 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2x3x h ARG 285 CO 0.02 0.21 -1.52 0.66 -1.51 0.00 0.00 179.97 177.83 2x3x h SER 286 N 0.33 0.36 0.44 -3.80 4.64 -1.52 0.45 113.55 114.45 2x3x h SER 286 Ca 0.55 -0.50 -0.31 0.00 -0.47 0.00 0.00 61.79 61.06 2x3x h SER 286 Cb 1.06 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 63.04 2x3x h SER 286 CO -0.56 1.42 -1.48 0.71 -0.87 0.00 0.00 176.83 176.04 2x3x h THR 287 N 0.06 1.23 0.00 2.95 1.35 -0.71 -3.24 112.91 114.56 2x3x h THR 287 Ca -0.24 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 62.81 2x3x h THR 287 Cb 2.01 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 71.28 2x3x h THR 287 CO 0.16 0.84 0.00 -1.20 -0.25 0.00 0.00 175.52 175.07 2x3x n SER 288 N -3.53 0.03 0.00 5.36 7.64 0.74 -4.92 113.62 118.94 2x3x n SER 288 Ca -0.15 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.26 2x3x n SER 288 Cb 1.05 0.86 0.00 0.00 -1.01 0.00 0.00 64.21 65.11 2x3x n SER 288 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x3x n GLY 289 N 0.86 7.23 0.48 0.23 0.00 -0.80 -4.97 105.19 108.23 2x3x n GLY 289 Ca 0.00 -1.89 0.21 0.00 0.00 0.00 0.00 46.02 44.35 2x3x n GLY 289 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2x3x h PRO 290 N 0.00 0.00 0.00 1.61 0.11 -1.85 0.11 132.00 131.98 2x3x h PRO 290 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2x3x h PRO 290 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2x3x h PRO 290 CO 0.00 0.00 -0.09 0.78 -0.21 0.00 0.00 178.00 178.48 2x3x h GLY 291 N 0.00 0.00 -2.66 -0.55 0.00 -0.38 -3.46 103.07 96.01 2x3x h GLY 291 Ca 0.37 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.18 2x3x h GLY 291 CO -0.00 0.00 0.52 1.06 0.00 0.00 0.00 176.54 178.11 2x3x s MET 292 N -3.53 3.51 0.57 4.80 -1.94 0.38 -4.83 119.30 118.28 2x3x s MET 292 Ca 0.02 1.90 -0.14 0.00 -1.71 0.00 0.00 55.69 55.76 2x3x s MET 292 Cb 0.08 -2.31 -0.05 0.00 2.01 0.00 0.00 34.83 34.56 2x3x s MET 292 CO 0.61 -0.79 1.02 -1.25 -0.01 0.00 0.00 175.02 174.59 2x3x s PRO 293 N -2.83 3.66 -0.04 2.03 0.04 -1.26 -5.04 135.00 131.56 2x3x s PRO 293 Ca 0.67 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 2x3x s PRO 293 Cb -0.32 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.17 2x3x s PRO 293 CO 0.38 -0.52 0.07 1.41 0.04 0.00 0.00 177.00 178.38 2x3x s MET 294 N -4.48 -0.00 -1.10 4.56 1.75 -1.26 -5.08 119.30 113.70 2x3x s MET 294 Ca 0.58 0.27 -0.22 0.00 -1.25 0.00 0.00 55.69 55.07 2x3x s MET 294 Cb -0.12 -0.25 0.03 0.00 2.84 0.00 0.00 34.83 37.34 2x3x s MET 294 CO 0.41 -0.18 1.65 -0.80 -0.65 0.00 0.00 175.02 175.45 2x3x s ASN 295 N 1.22 6.26 0.55 1.11 0.01 -1.26 -4.98 114.94 117.84 2x3x s ASN 295 Ca -0.08 -1.64 -0.20 0.00 -0.71 0.00 0.00 52.86 50.23 2x3x s ASN 295 Cb -0.12 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 2x3x s ASN 295 CO -0.04 -1.74 1.20 0.26 -1.51 0.00 0.00 177.10 175.27 2x3x s TRP 296 N 6.08 2.53 0.38 2.20 0.52 -1.26 -4.90 118.94 124.49 2x3x s TRP 296 Ca 0.54 1.51 -0.28 0.00 0.02 0.00 0.00 56.10 57.89 2x3x s TRP 296 Cb 0.00 -3.45 -0.11 0.00 -1.15 0.00 0.00 33.47 28.76 2x3x s TRP 296 CO -0.01 -2.02 1.46 -2.30 0.02 0.00 0.00 176.95 174.10 2x3x n PRO 297 N -1.27 2.58 -4.04 4.98 -0.02 -1.26 -5.02 135.00 130.94 2x3x n PRO 297 Ca 0.12 0.91 -0.08 0.00 -2.02 0.00 0.00 63.50 62.43 2x3x n PRO 297 Cb 0.49 -2.62 -0.09 0.00 -0.02 0.00 0.00 33.50 31.26 2x3x n PRO 297 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2x3x s GLN 298 N -2.09 0.70 0.23 -0.52 -2.07 -1.26 -5.13 119.66 109.52 2x3x s GLN 298 Ca 0.54 -1.19 -0.32 0.00 -1.82 0.00 0.00 55.36 52.58 2x3x s GLN 298 Cb -0.49 0.24 -0.13 0.00 -1.09 0.00 0.00 33.01 31.55 2x3x s GLN 298 CO 0.63 -0.17 1.49 0.34 -1.32 0.00 0.00 175.29 176.27 2x3x n PHE 299 N 0.05 2.33 -3.99 9.60 -0.00 -1.26 -4.97 117.46 119.22 2x3x n PHE 299 Ca -0.13 0.35 -0.32 0.00 -0.00 0.00 0.00 57.45 57.35 2x3x n PHE 299 Cb 0.62 -2.51 -0.14 0.00 -0.00 0.00 0.00 39.48 37.44 2x3x n PHE 299 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2x3x s GLU 300 N -0.08 1.83 0.60 -4.13 2.02 -1.26 -5.10 118.70 112.58 2x3x s GLU 300 Ca 0.70 -1.69 -0.19 0.00 0.02 0.00 0.00 54.97 53.81 2x3x s GLU 300 Cb -0.62 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 2x3x s GLU 300 CO 0.46 -0.84 1.17 -0.85 0.02 0.00 0.00 175.26 175.22 2x3x n GLU 301 N 4.38 1.14 -2.57 1.61 0.28 -1.26 -4.95 120.64 119.26 2x3x n GLU 301 Ca -0.03 0.44 -0.43 0.00 -0.16 0.00 0.00 57.16 56.98 2x3x n GLU 301 Cb 0.42 -2.38 -0.02 0.00 1.43 0.00 0.00 31.44 30.89 2x3x n GLU 301 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 2x3x s TRP 302 N -1.41 3.25 0.00 -1.84 -0.00 -1.26 -5.01 118.94 112.67 2x3x s TRP 302 Ca 0.77 1.35 0.00 0.00 -0.00 0.00 0.00 56.10 58.23 2x3x s TRP 302 Cb -0.41 -3.33 0.00 0.00 -0.00 0.00 0.00 33.47 29.73 2x3x s TRP 302 CO 0.45 -0.85 0.00 0.09 -0.00 0.00 0.00 176.95 176.64 2x3x n ASN 303 N 5.77 0.00 -0.12 5.86 4.13 -1.26 -5.37 115.26 124.27 2x3x n ASN 303 Ca 0.11 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.53 2x3x n ASN 303 Cb 0.47 0.00 0.84 0.00 -1.54 0.00 0.00 39.78 39.55 2x3x n ASN 303 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73