#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5h s ASN -1 N 0.00 6.04 0.00 4.04 3.04 -1.26 -5.03 114.94 121.77 2o5h s ASN -1 Ca 0.00 0.25 0.00 0.00 0.04 0.00 0.00 52.86 53.15 2o5h s ASN -1 Cb 0.00 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.17 2o5h s ASN -1 CO 0.00 -1.79 0.11 0.00 -3.04 0.00 0.00 177.10 172.39 2o5h n ALA 0 N 9.88 1.63 0.00 1.71 0.00 -1.26 -2.16 120.51 130.31 2o5h n ALA 0 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2o5h n ALA 0 Cb 0.49 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2o5h n ALA 0 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2o5h n ARG 2 N 1.27 0.00 -0.13 0.00 0.63 -1.26 -0.95 116.66 116.23 2o5h n ARG 2 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 2o5h n ARG 2 Cb 0.04 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.95 2o5h n ARG 2 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2o5h h LYS 3 N 0.00 0.56 -0.28 -0.14 1.57 -1.84 -1.81 116.57 114.62 2o5h h LYS 3 Ca 0.00 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2o5h h LYS 3 Cb 0.00 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.15 2o5h h LYS 3 CO 0.00 0.49 -0.13 1.25 -0.57 0.00 0.00 179.45 180.49 2o5h h LEU 4 N 0.49 -0.44 -1.52 2.94 5.85 -1.33 -1.77 115.31 119.53 2o5h h LEU 4 Ca 0.13 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2o5h h LEU 4 Cb 0.11 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 2o5h h LEU 4 CO -0.02 -0.16 -0.07 0.78 -0.34 0.00 0.00 178.44 178.63 2o5h h ASN 5 N -0.09 0.00 -0.14 1.25 4.21 -1.74 -3.10 115.58 115.98 2o5h h ASN 5 Ca 0.15 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.66 2o5h h ASN 5 Cb 0.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2o5h h ASN 5 CO -0.34 0.07 0.00 0.59 -1.29 0.00 0.00 177.43 176.46 2o5h n ASN 6 N -3.23 2.34 -0.27 5.81 3.02 -0.71 -4.66 115.26 117.56 2o5h n ASN 6 Ca -0.00 -1.67 0.08 0.00 -0.03 0.00 0.00 54.58 52.96 2o5h n ASN 6 Cb 0.32 -0.09 0.22 0.00 -0.61 0.00 0.00 39.78 39.62 2o5h n ASN 6 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2o5h h HIS 7 N 2.25 0.36 -0.35 3.10 -0.00 -1.25 -0.91 115.15 118.36 2o5h h HIS 7 Ca 0.00 0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.33 2o5h h HIS 7 Cb 0.58 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 2o5h h HIS 7 CO 0.09 -0.10 -0.09 0.22 -0.00 0.00 0.00 177.93 178.05 2o5h h ASP 8 N 0.29 0.69 -0.62 3.26 3.58 -1.84 -0.95 116.42 120.82 2o5h h ASP 8 Ca 0.47 -0.37 -0.07 0.00 0.42 0.00 0.00 57.03 57.48 2o5h h ASP 8 Cb 0.85 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 2o5h h ASP 8 CO -0.54 0.90 0.10 0.58 -2.88 0.00 0.00 179.24 177.40 2o5h h VAL 9 N 0.47 1.26 -0.36 2.25 2.07 -1.78 -1.03 116.25 119.13 2o5h h VAL 9 Ca 0.09 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.64 2o5h h VAL 9 Cb 0.60 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2o5h h VAL 9 CO 0.04 0.37 0.15 -0.74 0.02 0.00 0.00 177.57 177.41 2o5h h HIS 10 N 0.94 0.27 -0.48 1.57 -0.00 -1.02 1.00 115.15 117.43 2o5h h HIS 10 Ca 0.19 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.55 2o5h h HIS 10 Cb 0.43 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 2o5h h HIS 10 CO 0.03 0.13 0.20 -0.22 -0.00 0.00 0.00 177.93 178.08 2o5h h LYS 11 N 0.32 0.71 -0.32 5.26 3.64 -0.89 -2.95 116.57 122.34 2o5h h LYS 11 Ca 0.16 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2o5h h LYS 11 Cb 0.11 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2o5h h LYS 11 CO -0.14 0.63 -0.15 0.00 -2.27 0.00 0.00 179.45 177.51 2o5h h ARG 12 N 0.63 0.56 0.00 1.90 3.08 -0.80 -2.89 114.38 116.86 2o5h h ARG 12 Ca 0.16 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2o5h h ARG 12 Cb 0.17 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2o5h h ARG 12 CO -0.02 0.69 -0.36 -0.92 -1.07 0.00 0.00 179.97 178.30 2o5h h TYR 13 N 0.51 0.00 -1.02 3.04 3.20 -0.73 -3.20 116.97 118.77 2o5h h TYR 13 Ca 0.09 0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.20 2o5h h TYR 13 Cb 0.56 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.72 2o5h h TYR 13 CO 0.02 0.36 0.63 0.37 -1.64 0.00 0.00 178.16 177.89 2o5h h GLN 14 N 0.00 0.52 -0.83 1.82 5.75 -1.34 -1.04 115.11 120.00 2o5h h GLN 14 Ca -0.00 -0.03 0.20 0.00 -0.15 0.00 0.00 58.65 58.66 2o5h h GLN 14 Cb 0.73 -0.12 -0.15 0.00 1.07 0.00 0.00 27.48 29.01 2o5h h GLN 14 CO 0.05 0.35 -0.02 0.22 -2.65 0.00 0.00 178.83 176.77 2o5h h ASP 15 N 0.54 -0.45 -0.08 -0.69 3.58 -1.71 -3.03 116.42 114.58 2o5h h ASP 15 Ca 0.61 0.23 0.00 0.00 0.42 0.00 0.00 57.03 58.29 2o5h h ASP 15 Cb 1.27 0.41 0.00 0.00 1.72 0.00 0.00 39.33 42.73 2o5h h ASP 15 CO -0.39 -0.24 0.00 -2.11 -2.88 0.00 0.00 179.24 173.63 2o5h n ARG 16 N -5.41 1.48 -0.14 0.28 1.85 -0.42 -4.66 116.66 109.65 2o5h n ARG 16 Ca 0.16 -1.59 -0.04 0.00 -1.00 0.00 0.00 57.85 55.38 2o5h n ARG 16 Cb 0.53 -1.33 0.04 0.00 -1.05 0.00 0.00 32.46 30.66 2o5h n ARG 16 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2o5h h LEU 17 N 3.21 0.12 -0.40 2.89 5.85 -1.36 -1.64 115.31 123.98 2o5h h LEU 17 Ca 0.00 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 2o5h h LEU 17 Cb 0.71 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2o5h h LEU 17 CO 0.00 0.10 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.82 2o5h h GLU 18 N 0.30 0.74 -0.61 1.25 4.39 -1.83 0.15 114.58 118.97 2o5h h GLU 18 Ca 0.21 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.66 2o5h h GLU 18 Cb 0.22 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 2o5h h GLU 18 CO -0.23 0.86 0.39 1.49 -1.16 0.00 0.00 179.01 180.36 2o5h h GLU 19 N 0.56 0.76 -0.44 2.33 4.81 -1.85 0.19 114.58 120.94 2o5h h GLU 19 Ca 0.11 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 2o5h h GLU 19 Cb 0.56 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2o5h h GLU 19 CO 0.03 0.50 -0.30 -0.44 -0.73 0.00 0.00 179.01 178.08 2o5h h ASP 20 N 0.79 1.02 0.08 1.04 3.32 -0.81 -0.82 116.42 121.04 2o5h h ASP 20 Ca 0.24 -0.43 0.02 0.00 0.02 0.00 0.00 57.03 56.88 2o5h h ASP 20 Cb -0.04 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.20 2o5h h ASP 20 CO -0.08 1.23 -0.17 0.58 -1.72 0.00 0.00 179.24 179.08 2o5h h VAL 21 N 0.82 0.60 -0.02 -1.35 2.07 -0.43 -1.88 116.25 116.07 2o5h h VAL 21 Ca 0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 2o5h h VAL 21 Cb 0.89 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2o5h h VAL 21 CO 0.08 0.00 -0.38 -0.33 0.02 0.00 0.00 177.57 176.96 2o5h h GLU 22 N -0.32 0.04 0.13 1.57 4.39 -0.52 -0.92 114.58 118.95 2o5h h GLU 22 Ca 0.03 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2o5h h GLU 22 Cb 0.35 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2o5h h GLU 22 CO -0.11 0.42 -0.06 0.35 -1.16 0.00 0.00 179.01 178.45 2o5h h PHE 23 N 0.04 -0.16 -0.17 4.33 3.57 -1.05 -1.59 116.94 121.90 2o5h h PHE 23 Ca 0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 2o5h h PHE 23 Cb 0.69 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 2o5h h PHE 23 CO 0.00 0.02 -0.51 1.79 -2.23 0.00 0.00 178.31 177.39 2o5h h THR 24 N -0.31 1.33 -0.36 4.41 1.35 -1.14 -2.72 112.91 115.46 2o5h h THR 24 Ca -0.02 -1.74 -0.02 0.00 -0.55 0.00 0.00 66.41 64.08 2o5h h THR 24 Cb 0.25 1.75 -0.02 0.00 -1.73 0.00 0.00 68.15 68.41 2o5h h THR 24 CO 0.03 0.54 0.15 0.40 -0.25 0.00 0.00 175.52 176.39 2o5h h ILE 25 N 0.36 1.18 -1.00 6.82 2.04 -1.22 -0.76 117.51 124.94 2o5h h ILE 25 Ca 0.01 -0.56 0.07 0.00 1.00 0.00 0.00 64.86 65.39 2o5h h ILE 25 Cb 1.01 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 2o5h h ILE 25 CO 0.09 0.20 0.65 -1.13 0.00 0.00 0.00 178.15 177.96 2o5h h ASN 26 N 0.44 1.03 -0.02 1.72 -1.24 -0.97 -3.00 115.58 113.53 2o5h h ASN 26 Ca 0.12 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.15 2o5h h ASN 26 Cb 0.17 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.02 2o5h h ASN 26 CO -0.01 0.64 -0.03 -1.22 -1.29 0.00 0.00 177.43 175.52 2o5h n TYR 27 N -4.52 0.00 -3.76 0.67 4.01 -1.12 -5.00 117.16 107.45 2o5h n TYR 27 Ca 0.16 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.59 2o5h n TYR 27 Cb 0.20 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.26 2o5h n TYR 27 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2o5h n GLU 28 N 0.75 -1.77 -2.63 -0.72 1.02 -0.30 -4.91 120.64 112.09 2o5h n GLU 28 Ca 0.09 0.43 -0.40 0.00 -0.02 0.00 0.00 57.16 57.26 2o5h n GLU 28 Cb 0.38 -4.18 -0.05 0.00 -0.02 0.00 0.00 31.44 27.57 2o5h n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2o5h s LEU 29 N -6.63 4.61 0.91 -4.62 1.43 -1.17 -4.98 118.68 108.23 2o5h s LEU 29 Ca 0.36 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 55.43 2o5h s LEU 29 Cb -0.13 -3.62 0.14 0.00 0.03 0.00 0.00 46.19 42.61 2o5h s LEU 29 CO 0.87 0.03 1.11 -2.16 0.23 0.00 0.00 176.35 176.43 2o5h s PRO 30 N -1.27 1.09 0.40 1.29 0.04 -1.26 -4.77 135.00 130.50 2o5h s PRO 30 Ca 0.43 1.27 0.09 0.00 0.04 0.00 0.00 61.00 62.82 2o5h s PRO 30 Cb -0.28 -1.76 0.87 0.00 0.04 0.00 0.00 34.50 33.37 2o5h s PRO 30 CO 0.36 -2.49 1.98 -0.07 0.04 0.00 0.00 177.00 176.82 2o5h h LEU 31 N -1.75 0.52 -1.58 -3.56 3.38 -1.95 -0.49 115.31 109.88 2o5h h LEU 31 Ca -0.46 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.59 2o5h h LEU 31 Cb 1.27 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 2o5h h LEU 31 CO 0.47 0.34 0.40 -1.28 0.09 0.00 0.00 178.44 178.45 2o5h h SER 32 N 0.59 0.43 1.77 -0.43 0.87 -1.85 -1.03 113.55 113.90 2o5h h SER 32 Ca 0.28 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2o5h h SER 32 Cb 0.32 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2o5h h SER 32 CO -0.08 0.27 -0.17 0.00 -0.53 0.00 0.00 176.83 176.31 2o5h h LEU 34 N 0.00 1.03 -0.06 0.00 4.07 -0.78 -0.50 115.31 119.07 2o5h h LEU 34 Ca 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.74 2o5h h LEU 34 Cb 0.97 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 2o5h h LEU 34 CO 0.00 0.98 0.02 -0.25 -1.08 0.00 0.00 178.44 178.12 2o5h h TRP 35 N 1.03 0.04 -0.84 1.13 2.91 -1.18 -2.90 115.95 116.14 2o5h h TRP 35 Ca 0.22 0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.31 2o5h h TRP 35 Cb 0.34 -0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 28.92 2o5h h TRP 35 CO 0.03 0.03 0.55 0.77 -1.03 0.00 0.00 178.44 178.78 2o5h h SER 36 N 0.06 0.80 -0.72 2.65 0.02 -1.26 -2.08 113.55 113.02 2o5h h SER 36 Ca 0.02 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2o5h h SER 36 Cb 0.01 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 2o5h h SER 36 CO -0.02 0.51 0.47 0.74 -1.14 0.00 0.00 176.83 177.39 2o5h h THR 37 N 0.91 1.08 -0.01 -2.27 2.02 -0.93 -2.59 112.91 111.12 2o5h h THR 37 Ca 0.37 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2o5h h THR 37 Cb 0.27 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2o5h h THR 37 CO -0.14 0.15 -0.42 2.30 0.37 0.00 0.00 175.52 177.79 2o5h n ILE 38 N -4.46 0.00 -0.33 3.11 -6.64 -0.84 -4.45 119.36 105.75 2o5h n ILE 38 Ca 0.09 -0.13 0.10 0.00 -1.77 0.00 0.00 62.75 61.05 2o5h n ILE 38 Cb 0.15 0.65 0.31 0.00 -1.44 0.00 0.00 39.64 39.31 2o5h n ILE 38 CO 0.00 0.00 0.00 0.11 -1.77 0.00 0.00 176.55 174.89 2o5h h LYS 39 N 1.22 0.81 0.00 6.28 1.79 -0.99 0.14 116.57 125.83 2o5h h LYS 39 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2o5h h LYS 39 Cb 0.57 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2o5h h LYS 39 CO 0.00 0.54 0.00 -0.40 -1.08 0.00 0.00 179.45 178.51 2o5h n ASP 40 N -4.63 0.00 0.04 0.86 5.75 -1.26 -3.40 116.55 113.91 2o5h n ASP 40 Ca 0.19 0.41 -0.04 0.00 -0.01 0.00 0.00 54.79 55.35 2o5h n ASP 40 Cb 0.45 -0.47 0.18 0.00 -1.03 0.00 0.00 41.12 40.25 2o5h n ASP 40 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2o5h h PHE 41 N 0.00 0.48 -2.33 2.11 3.57 -1.27 -3.46 116.94 116.04 2o5h h PHE 41 Ca 0.00 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.32 2o5h h PHE 41 Cb 0.35 -0.11 -0.17 0.00 2.79 0.00 0.00 35.95 38.81 2o5h h PHE 41 CO 0.00 0.73 0.15 0.45 -2.23 0.00 0.00 178.31 177.41 2o5h s SER 42 N -6.85 -0.59 0.03 0.41 0.15 -1.22 -5.01 113.70 100.62 2o5h s SER 42 Ca -0.06 0.49 0.26 0.00 0.70 0.00 0.00 55.95 57.34 2o5h s SER 42 Cb 0.13 0.53 0.71 0.00 -1.71 0.00 0.00 66.02 65.69 2o5h s SER 42 CO 0.79 -0.68 1.57 -1.54 1.20 0.00 0.00 173.24 174.58 2o5h n SER 43 N 0.62 0.40 -4.72 5.45 3.41 -1.26 -4.82 113.62 112.70 2o5h n SER 43 Ca -0.19 0.07 -0.40 0.00 -0.26 0.00 0.00 58.87 58.10 2o5h n SER 43 Cb 0.59 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.45 2o5h n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2o5h s ASP 44 N -3.27 7.00 0.09 4.04 2.15 -1.26 -5.00 116.67 120.42 2o5h s ASP 44 Ca 0.11 1.20 -0.23 0.00 0.43 0.00 0.00 52.55 54.07 2o5h s ASP 44 Cb 0.17 -2.42 -0.14 0.00 -0.30 0.00 0.00 42.92 40.24 2o5h s ASP 44 CO 0.65 -0.11 1.73 0.15 -0.17 0.00 0.00 175.17 177.43 2o5h h PHE 45 N 6.69 -0.02 -0.31 -5.34 3.57 -1.99 -1.00 116.94 118.53 2o5h h PHE 45 Ca -0.41 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.13 2o5h h PHE 45 Cb 1.20 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 2o5h h PHE 45 CO 0.65 -0.02 0.09 1.49 -2.23 0.00 0.00 178.31 178.30 2o5h h GLU 46 N -0.01 0.22 -0.85 1.11 4.81 -1.98 -0.62 114.58 117.25 2o5h h GLU 46 Ca 0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2o5h h GLU 46 Cb 0.03 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2o5h h GLU 46 CO -0.02 0.14 0.48 0.93 -0.73 0.00 0.00 179.01 179.81 2o5h h GLU 47 N 0.22 1.17 -0.39 1.92 5.08 -1.94 -0.77 114.58 119.87 2o5h h GLU 47 Ca 0.14 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2o5h h GLU 47 Cb 0.12 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2o5h h GLU 47 CO -0.15 0.85 0.18 0.87 -1.00 0.00 0.00 179.01 179.76 2o5h h LYS 48 N 1.18 0.58 -0.68 2.33 1.57 -0.97 -1.76 116.57 118.82 2o5h h LYS 48 Ca 0.30 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 59.02 2o5h h LYS 48 Cb 0.01 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 2o5h h LYS 48 CO -0.05 0.52 0.41 1.15 -0.57 0.00 0.00 179.45 180.91 2o5h h THR 49 N 0.50 1.05 -0.69 -0.16 2.02 -0.82 0.22 112.91 115.03 2o5h h THR 49 Ca 0.13 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 2o5h h THR 49 Cb 0.15 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 2o5h h THR 49 CO -0.01 0.14 0.30 -0.33 0.37 0.00 0.00 175.52 175.99 2o5h h GLU 50 N 0.79 1.01 -0.19 6.66 4.39 -0.96 -1.97 114.58 124.31 2o5h h GLU 50 Ca 0.28 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2o5h h GLU 50 Cb 0.07 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2o5h h GLU 50 CO -0.13 0.82 0.11 0.00 -1.16 0.00 0.00 179.01 178.65 2o5h h ALA 51 N 1.14 0.25 -0.39 3.43 0.00 -0.76 -1.97 119.26 120.95 2o5h h ALA 51 Ca 0.23 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2o5h h ALA 51 Cb 0.17 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 2o5h h ALA 51 CO -0.02 -0.22 -0.11 0.35 0.00 0.00 0.00 179.25 179.25 2o5h h PHE 52 N 0.21 -0.23 0.00 0.00 3.57 -0.37 -1.62 116.94 118.49 2o5h h PHE 52 Ca 0.07 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 2o5h h PHE 52 Cb 0.07 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2o5h h PHE 52 CO -0.04 -0.18 -0.39 0.74 -2.23 0.00 0.00 178.31 176.21 2o5h h PHE 53 N -0.01 0.00 -0.43 0.41 0.04 -1.17 0.18 116.94 115.95 2o5h h PHE 53 Ca 0.19 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.86 2o5h h PHE 53 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2o5h h PHE 53 CO -0.35 0.39 -0.12 0.82 -0.60 0.00 0.00 178.31 178.44 2o5h h ILE 54 N 0.00 1.27 0.01 -0.55 2.04 -0.84 -0.74 117.51 118.70 2o5h h ILE 54 Ca -0.00 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.62 2o5h h ILE 54 Cb 0.70 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2o5h h ILE 54 CO 0.05 0.42 -0.00 0.25 0.00 0.00 0.00 178.15 178.87 2o5h h LEU 55 N 0.67 -0.01 -0.34 1.44 5.85 -0.94 -1.11 115.31 120.87 2o5h h LEU 55 Ca 0.11 -0.47 0.07 0.00 0.84 0.00 0.00 57.88 58.42 2o5h h LEU 55 Cb 0.67 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 2o5h h LEU 55 CO 0.05 0.47 -0.34 0.15 -0.34 0.00 0.00 178.44 178.43 2o5h h PHE 56 N -0.49 -0.95 -0.56 1.25 3.57 -1.00 -1.24 116.94 117.52 2o5h h PHE 56 Ca -0.00 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2o5h h PHE 56 Cb 0.48 0.47 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2o5h h PHE 56 CO 0.09 -0.39 0.12 0.87 -2.23 0.00 0.00 178.31 176.76 2o5h h LYS 57 N -0.30 0.87 -0.38 1.11 1.57 -1.09 -1.81 116.57 116.55 2o5h h LYS 57 Ca 0.15 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 2o5h h LYS 57 Cb 0.55 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2o5h h LYS 57 CO -0.50 0.80 -0.23 1.49 -0.57 0.00 0.00 179.45 180.44 2o5h h GLU 58 N 0.84 0.76 -0.48 3.15 4.57 -0.61 0.80 114.58 123.60 2o5h h GLU 58 Ca 0.18 -0.31 -0.07 0.00 -1.18 0.00 0.00 59.36 57.99 2o5h h GLU 58 Cb 0.33 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 2o5h h GLU 58 CO 0.00 0.91 0.04 -0.07 -1.18 0.00 0.00 179.01 178.71 2o5h h LEU 59 N 0.66 0.81 -0.22 1.64 3.38 -1.07 -1.05 115.31 119.46 2o5h h LEU 59 Ca 0.09 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2o5h h LEU 59 Cb 0.73 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2o5h h LEU 59 CO 0.06 0.89 0.11 -0.07 0.09 0.00 0.00 178.44 179.52 2o5h h LEU 60 N 0.69 0.28 -1.18 1.67 3.38 -1.11 -1.65 115.31 117.39 2o5h h LEU 60 Ca 0.14 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2o5h h LEU 60 Cb 0.46 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2o5h h LEU 60 CO 0.02 0.30 0.07 -0.09 0.09 0.00 0.00 178.44 178.82 2o5h h ARG 61 N 0.23 0.64 -0.00 1.13 1.12 -0.69 -1.51 114.38 115.30 2o5h h ARG 61 Ca 0.08 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 2o5h h ARG 61 Cb 0.09 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 2o5h h ARG 61 CO -0.01 0.61 -0.02 0.54 -3.11 0.00 0.00 179.97 177.98 2o5h n ARG 62 N -4.29 0.86 -1.05 0.20 1.74 -0.41 -4.92 116.66 108.78 2o5h n ARG 62 Ca 0.02 -0.14 -0.02 0.00 -0.77 0.00 0.00 57.85 56.95 2o5h n ARG 62 Cb 0.22 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 2o5h n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2o5h n GLY 63 N 1.14 0.54 0.09 -0.13 0.00 -0.57 -4.91 105.19 101.36 2o5h n GLY 63 Ca 0.19 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 2o5h n GLY 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2o5h h HIS 64 N 0.00 0.32 -4.25 1.61 3.86 -1.53 -3.42 115.15 111.74 2o5h h HIS 64 Ca -0.04 -0.24 -0.69 0.00 -1.16 0.00 0.00 60.37 58.24 2o5h h HIS 64 Cb 0.22 -0.01 -0.26 0.00 1.06 0.00 0.00 27.41 28.42 2o5h h HIS 64 CO 0.11 1.18 -0.82 -1.17 0.86 0.00 0.00 177.93 178.10 2o5h s LEU 65 N -7.00 2.46 0.13 2.43 2.96 -1.11 -0.31 118.68 118.23 2o5h s LEU 65 Ca -0.02 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2o5h s LEU 65 Cb 0.08 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 2o5h s LEU 65 CO 0.86 0.33 -0.08 -0.54 -1.32 0.00 0.00 176.35 175.60 2o5h s LYS 66 N -0.74 0.98 0.01 1.98 1.02 0.48 -4.41 119.74 119.06 2o5h s LYS 66 Ca 0.11 -1.41 0.08 0.00 0.02 0.00 0.00 55.97 54.76 2o5h s LYS 66 Cb -0.10 -0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 36.75 2o5h s LYS 66 CO 0.00 0.02 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.71 2o5h s LEU 67 N -3.12 2.10 0.05 3.17 1.43 -1.26 -0.60 118.68 120.45 2o5h s LEU 67 Ca 0.15 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 2o5h s LEU 67 Cb 0.04 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 2o5h s LEU 67 CO -0.01 0.25 -0.16 -1.58 0.23 0.00 0.00 176.35 175.08 2o5h s GLN 68 N -0.84 1.01 -0.00 1.70 -0.44 -0.22 -1.67 119.66 119.20 2o5h s GLN 68 Ca 0.09 -0.88 0.01 0.00 -2.50 0.00 0.00 55.36 52.08 2o5h s GLN 68 Cb -0.09 -1.07 -0.00 0.00 -1.64 0.00 0.00 33.01 30.20 2o5h s GLN 68 CO 0.00 0.26 -0.02 0.50 0.50 0.00 0.00 175.29 176.53 2o5h s ARG 69 N -1.37 0.16 -1.42 1.67 3.52 -0.45 -0.63 118.95 120.43 2o5h s ARG 69 Ca 0.02 -0.09 -0.03 0.00 -0.13 0.00 0.00 55.73 55.51 2o5h s ARG 69 Cb -0.09 -0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.17 2o5h s ARG 69 CO 0.02 0.04 0.25 -0.25 -0.81 0.00 0.00 175.30 174.55 2o5h n ASP 70 N 2.98 -5.00 0.00 -2.12 8.00 -1.26 -2.25 116.55 116.90 2o5h n ASP 70 Ca -0.13 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.28 2o5h n ASP 70 Cb 0.59 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 2o5h n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2o5h n GLY 71 N -1.12 0.47 2.83 0.44 0.00 -1.26 -5.04 105.19 101.51 2o5h n GLY 71 Ca -0.14 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.03 2o5h n GLY 71 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2o5h s GLN 72 N -1.29 0.21 0.28 1.61 0.74 -0.95 -5.13 119.66 115.12 2o5h s GLN 72 Ca 0.00 0.06 -0.30 0.00 0.05 0.00 0.00 55.36 55.18 2o5h s GLN 72 Cb 0.00 -0.37 -0.10 0.00 1.10 0.00 0.00 33.01 33.64 2o5h s GLN 72 CO 0.00 -0.10 1.42 0.42 -0.55 0.00 0.00 175.29 176.48 2o5h s ILE 73 N 0.78 2.62 -0.14 -2.34 1.01 -1.26 -1.34 121.20 120.53 2o5h s ILE 73 Ca -0.07 0.55 -0.03 0.00 0.00 0.00 0.00 60.65 61.09 2o5h s ILE 73 Cb -0.11 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 2o5h s ILE 73 CO -0.02 0.10 -0.02 -0.63 0.00 0.00 0.00 174.94 174.37 2o5h s ILE 74 N -0.34 4.04 -0.20 2.92 1.01 -0.67 -4.92 121.20 123.04 2o5h s ILE 74 Ca 0.57 -0.31 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 2o5h s ILE 74 Cb -0.42 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 2o5h s ILE 74 CO 0.47 0.52 0.86 -0.83 0.00 0.00 0.00 174.94 175.96 2o5h s GLY 75 N 0.04 1.95 0.05 6.18 0.00 -1.26 -4.56 107.32 109.72 2o5h s GLY 75 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 2o5h s GLY 75 CO 0.02 1.79 -0.03 0.30 0.00 0.00 0.00 173.10 175.18 2o5h s HIS 76 N 2.50 0.54 0.78 1.90 3.76 -1.26 -5.11 115.29 118.39 2o5h s HIS 76 Ca 0.38 -1.06 -0.11 0.00 -0.15 0.00 0.00 55.06 54.12 2o5h s HIS 76 Cb -0.16 -0.40 0.06 0.00 1.11 0.00 0.00 32.58 33.19 2o5h s HIS 76 CO 0.10 -0.37 1.08 0.95 -0.85 0.00 0.00 174.74 175.66 2o5h s THR 77 N -3.91 3.34 0.29 1.30 -4.23 -1.26 -4.86 115.64 106.32 2o5h s THR 77 Ca 0.07 0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 61.00 2o5h s THR 77 Cb 0.08 -3.04 0.27 0.00 1.34 0.00 0.00 72.50 71.14 2o5h s THR 77 CO -0.10 -0.57 1.94 -0.65 -0.54 0.00 0.00 174.62 174.71 2o5h h PRO 78 N -1.09 1.11 -0.35 3.99 0.11 -1.92 -1.16 132.00 132.69 2o5h h PRO 78 Ca -0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2o5h h PRO 78 Cb 1.24 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2o5h h PRO 78 CO 0.55 0.73 0.14 0.93 -0.21 0.00 0.00 178.00 180.15 2o5h h GLU 79 N 1.14 0.52 -0.78 1.05 3.07 -1.95 -0.99 114.58 116.64 2o5h h GLU 79 Ca 0.35 -0.09 0.03 0.00 -0.50 0.00 0.00 59.36 59.15 2o5h h GLU 79 Cb -0.02 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 27.75 2o5h h GLU 79 CO -0.10 0.51 0.50 0.93 -1.40 0.00 0.00 179.01 179.45 2o5h h GLU 80 N 0.42 0.94 -0.35 2.33 5.08 -1.81 -2.16 114.58 119.03 2o5h h GLU 80 Ca 0.12 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.26 2o5h h GLU 80 Cb 0.18 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2o5h h GLU 80 CO -0.01 0.62 -0.40 -1.49 -1.00 0.00 0.00 179.01 176.73 2o5h h TRP 81 N 0.97 1.04 -0.72 4.33 -0.00 -1.08 -2.03 115.95 118.46 2o5h h TRP 81 Ca 0.31 -0.31 0.09 0.00 -0.00 0.00 0.00 58.89 58.98 2o5h h TRP 81 Cb 0.02 -0.22 -0.07 0.00 -0.00 0.00 0.00 29.16 28.89 2o5h h TRP 81 CO -0.03 1.12 0.38 1.49 -0.00 0.00 0.00 178.44 181.40 2o5h h GLU 82 N 0.70 0.64 -0.41 0.49 4.81 -0.87 -1.91 114.58 118.03 2o5h h GLU 82 Ca 0.05 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 2o5h h GLU 82 Cb 0.98 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2o5h h GLU 82 CO 0.09 0.42 -0.26 0.37 -0.73 0.00 0.00 179.01 178.90 2o5h h GLN 83 N 0.65 0.86 -0.18 1.92 5.75 -1.02 0.19 115.11 123.29 2o5h h GLN 83 Ca 0.35 -0.38 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2o5h h GLN 83 Cb 0.33 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 2o5h h GLN 83 CO -0.25 1.02 0.11 0.82 -2.65 0.00 0.00 178.83 177.89 2o5h h ILE 84 N 0.74 1.07 -0.17 2.39 2.04 -1.11 -1.19 117.51 121.27 2o5h h ILE 84 Ca 0.09 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 2o5h h ILE 84 Cb 0.81 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2o5h h ILE 84 CO 0.07 0.06 -0.09 -0.26 0.00 0.00 0.00 178.15 177.93 2o5h h PHE 85 N 0.22 0.42 -0.92 1.37 -1.00 -1.08 -3.16 116.94 112.79 2o5h h PHE 85 Ca 0.06 -0.11 0.13 0.00 2.81 0.00 0.00 57.97 60.87 2o5h h PHE 85 Cb 0.01 -0.10 -0.07 0.00 3.61 0.00 0.00 35.95 39.40 2o5h h PHE 85 CO -0.06 0.68 0.59 0.00 -1.61 0.00 0.00 178.31 177.91 2o5h h ARG 86 N 0.04 0.76 0.00 1.51 3.08 -0.54 -1.10 114.38 118.12 2o5h h ARG 86 Ca 0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2o5h h ARG 86 Cb 0.58 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2o5h h ARG 86 CO 0.03 0.50 -0.03 0.93 -1.07 0.00 0.00 179.97 180.32 2o5h h GLU 87 N 0.78 0.00 0.00 0.04 5.08 -1.17 -2.72 114.58 116.59 2o5h h GLU 87 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2o5h h GLU 87 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2o5h h GLU 87 CO -0.22 0.03 0.00 1.33 -1.00 0.00 0.00 179.01 179.15 2o5h n VAL 88 N -3.60 0.54 -1.79 3.13 0.24 -0.89 -5.05 118.33 110.90 2o5h n VAL 88 Ca -0.03 -0.69 -0.42 0.00 -2.04 0.00 0.00 64.34 61.17 2o5h n VAL 88 Cb 0.13 0.79 -0.02 0.00 -1.47 0.00 0.00 33.84 33.27 2o5h n VAL 88 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2o5h s TRP 89 N -0.54 2.86 0.60 6.34 -0.11 -0.47 -4.92 118.94 122.69 2o5h s TRP 89 Ca 0.00 0.63 -0.18 0.00 1.22 0.00 0.00 56.10 57.77 2o5h s TRP 89 Cb 0.00 -4.06 -0.06 0.00 -1.50 0.00 0.00 33.47 27.85 2o5h s TRP 89 CO 0.00 -3.76 0.82 -2.30 -4.62 0.00 0.00 176.95 167.10 2o5h n PRO 90 N 2.99 0.75 0.23 5.86 -0.02 -1.26 -4.91 135.00 138.63 2o5h n PRO 90 Ca 0.11 0.29 0.12 0.00 -2.02 0.00 0.00 63.50 62.01 2o5h n PRO 90 Cb 0.37 -2.02 0.39 0.00 -0.02 0.00 0.00 33.50 32.22 2o5h n PRO 90 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2o5h h GLU 91 N 0.37 0.00 -3.90 -0.52 5.08 -1.99 -3.45 114.58 110.16 2o5h h GLU 91 Ca -0.48 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.74 2o5h h GLU 91 Cb 1.38 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.43 2o5h h GLU 91 CO 0.49 0.12 -0.62 0.71 -1.00 0.00 0.00 179.01 178.72 2o5h s TYR 92 N -3.44 0.25 0.31 4.33 2.02 -1.26 -5.03 117.35 114.52 2o5h s TYR 92 Ca 0.03 -0.54 0.05 0.00 -0.37 0.00 0.00 57.07 56.24 2o5h s TYR 92 Cb 0.08 -0.18 0.51 0.00 -0.40 0.00 0.00 41.96 41.97 2o5h s TYR 92 CO 0.63 -0.27 1.77 1.49 -1.57 0.00 0.00 175.55 177.60 2o5h h GLU 93 N 4.15 0.38 -4.66 -0.62 4.81 -1.95 -3.41 114.58 113.27 2o5h h GLU 93 Ca -0.32 -0.13 -0.58 0.00 -0.13 0.00 0.00 59.36 58.20 2o5h h GLU 93 Cb 1.19 -0.03 -0.35 0.00 0.63 0.00 0.00 28.75 30.19 2o5h h GLU 93 CO 0.47 0.60 -0.83 0.42 -0.73 0.00 0.00 179.01 178.94 2o5h s ILE 94 N -4.49 1.45 0.09 2.32 1.01 -1.26 -0.92 121.20 119.39 2o5h s ILE 94 Ca -0.06 -0.60 -0.35 0.00 0.00 0.00 0.00 60.65 59.64 2o5h s ILE 94 Cb 0.14 -1.35 -0.14 0.00 0.01 0.00 0.00 42.46 41.12 2o5h s ILE 94 CO 0.77 0.43 1.56 1.21 0.00 0.00 0.00 174.94 178.91 2o5h n GLU 95 N 4.40 1.83 -1.37 2.79 2.13 0.23 -4.90 120.64 125.75 2o5h n GLU 95 Ca -0.18 0.66 -0.35 0.00 0.66 0.00 0.00 57.16 57.96 2o5h n GLU 95 Cb 0.51 -2.40 0.10 0.00 0.27 0.00 0.00 31.44 29.92 2o5h n GLU 95 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2o5h s PRO 96 N 1.31 2.01 0.00 5.31 0.02 -1.26 -4.66 135.00 137.72 2o5h s PRO 96 Ca 0.83 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.71 2o5h s PRO 96 Cb -0.77 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 31.94 2o5h s PRO 96 CO 0.43 -1.96 0.00 0.09 -0.33 0.00 0.00 177.00 175.23 2o5h n ASN 97 N -2.76 0.00 -2.09 2.53 3.02 -1.26 -5.06 115.26 109.65 2o5h n ASN 97 Ca 0.14 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.43 2o5h n ASN 97 Cb 0.50 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.70 2o5h n ASN 97 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2o5h n PRO 104 N 0.00 3.42 -2.44 3.52 -0.04 -1.26 -5.37 135.00 132.82 2o5h n PRO 104 Ca 0.00 -3.98 -0.41 0.00 -0.04 0.00 0.00 63.50 59.07 2o5h n PRO 104 Cb 0.00 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.14 2o5h n PRO 104 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2o5h s PHE 105 N -3.65 3.49 0.33 0.54 5.36 -1.26 -4.88 117.98 117.90 2o5h s PHE 105 Ca 0.54 1.43 0.04 0.00 -0.96 0.00 0.00 56.93 57.98 2o5h s PHE 105 Cb 0.43 -3.37 -0.04 0.00 -0.34 0.00 0.00 43.02 39.70 2o5h s PHE 105 CO 0.03 -1.02 0.15 0.16 -1.46 0.00 0.00 175.22 173.08 2o5h s ASP 106 N 0.45 1.86 0.19 6.13 1.47 -1.26 0.78 116.67 126.29 2o5h s ASP 106 Ca 0.54 -1.58 -0.12 0.00 1.18 0.00 0.00 52.55 52.57 2o5h s ASP 106 Cb -0.30 0.38 0.18 0.00 -0.34 0.00 0.00 42.92 42.84 2o5h s ASP 106 CO 0.33 -0.88 1.76 0.40 0.68 0.00 0.00 175.17 177.46 2o5h h ILE 107 N 2.12 0.87 0.00 2.11 1.08 -1.32 -1.62 117.51 120.75 2o5h h ILE 107 Ca -0.34 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2o5h h ILE 107 Cb 1.25 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.41 2o5h h ILE 107 CO 0.53 0.08 0.00 0.61 -0.69 0.00 0.00 178.15 178.68 2o5h n GLY 108 N -1.26 0.00 2.18 5.37 0.00 -1.26 -1.07 105.19 109.14 2o5h n GLY 108 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2o5h n GLY 108 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2o5h n TRP 110 N 0.12 0.00 0.30 1.61 -0.00 -0.61 -1.94 117.44 116.92 2o5h n TRP 110 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.50 57.68 2o5h n TRP 110 Cb 0.00 0.00 0.79 0.00 -0.00 0.00 0.00 31.31 32.10 2o5h n TRP 110 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2o5h h LEU 111 N 0.00 0.00 0.18 5.87 3.38 -1.38 0.19 115.31 123.55 2o5h h LEU 111 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2o5h h LEU 111 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2o5h h LEU 111 CO 0.00 0.00 -1.68 0.74 0.09 0.00 0.00 178.44 177.59 2o5h h THR 112 N 0.00 0.97 0.00 0.22 2.02 -1.65 -3.40 112.91 111.08 2o5h h THR 112 Ca 0.00 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.67 2o5h h THR 112 Cb 0.33 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 2o5h h THR 112 CO 0.00 0.84 0.00 1.33 0.37 0.00 0.00 175.52 178.06 2o5h n VAL 113 N -3.66 0.00 -1.11 3.16 0.24 -1.12 -4.82 118.33 111.03 2o5h n VAL 113 Ca -0.24 -0.36 0.01 0.00 -2.04 0.00 0.00 64.34 61.71 2o5h n VAL 113 Cb 1.05 1.01 0.01 0.00 -1.47 0.00 0.00 33.84 34.45 2o5h n VAL 113 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2o5h n GLU 114 N -0.67 0.59 -1.74 7.34 1.02 0.54 -5.06 120.64 122.65 2o5h n GLU 114 Ca 0.00 -0.97 -0.38 0.00 -0.02 0.00 0.00 57.16 55.79 2o5h n GLU 114 Cb 0.00 -0.67 0.05 0.00 -0.02 0.00 0.00 31.44 30.81 2o5h n GLU 114 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2o5h n ALA 115 N -0.20 1.50 -0.23 0.62 0.00 -0.48 -4.92 120.51 116.81 2o5h n ALA 115 Ca 0.01 0.09 0.19 0.00 0.00 0.00 0.00 53.44 53.74 2o5h n ALA 115 Cb 0.52 -2.35 0.52 0.00 0.00 0.00 0.00 19.45 18.14 2o5h n ALA 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2o5h h PRO 116 N 1.21 0.38 -3.08 0.00 0.11 -1.93 -3.46 132.00 125.23 2o5h h PRO 116 Ca -0.51 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.60 2o5h h PRO 116 Cb 1.31 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2o5h h PRO 116 CO 0.56 0.25 0.21 0.00 -0.21 0.00 0.00 178.00 178.81 2o5h s ALA 117 N -5.41 -0.94 0.07 -0.75 0.00 -1.26 -4.78 121.76 108.69 2o5h s ALA 117 Ca -0.08 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2o5h s ALA 117 Cb 0.22 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 24.13 2o5h s ALA 117 CO 0.78 -1.00 -0.10 0.71 0.00 0.00 0.00 175.76 176.14 2o5h s TYR 118 N -3.39 0.96 0.09 0.00 2.02 0.20 -4.85 117.35 112.38 2o5h s TYR 118 Ca 0.14 -0.56 -0.31 0.00 -0.37 0.00 0.00 57.07 55.97 2o5h s TYR 118 Cb -0.05 -0.54 -0.07 0.00 -0.40 0.00 0.00 41.96 40.90 2o5h s TYR 118 CO 0.09 -0.02 1.29 0.00 -1.57 0.00 0.00 175.55 175.33 2o5h s ALA 119 N -1.81 3.48 -0.12 3.71 0.00 -1.26 -1.05 121.76 124.72 2o5h s ALA 119 Ca -0.02 0.98 0.03 0.00 0.00 0.00 0.00 51.96 52.95 2o5h s ALA 119 Cb -0.07 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2o5h s ALA 119 CO 0.01 -0.51 -0.22 0.08 0.00 0.00 0.00 175.76 175.11 2o5h s VAL 120 N 0.99 1.99 -0.17 0.00 1.01 0.23 -4.72 120.40 119.73 2o5h s VAL 120 Ca 0.61 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 2o5h s VAL 120 Cb -0.33 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2o5h s VAL 120 CO 0.30 0.54 0.06 0.26 0.00 0.00 0.00 175.10 176.26 2o5h s TRP 121 N 0.59 3.24 -0.26 5.22 0.52 -0.60 -0.39 118.94 127.26 2o5h s TRP 121 Ca -0.13 0.07 -0.09 0.00 0.02 0.00 0.00 56.10 55.97 2o5h s TRP 121 Cb -0.17 -2.05 -0.04 0.00 -1.15 0.00 0.00 33.47 30.06 2o5h s TRP 121 CO 0.04 0.18 0.13 0.42 0.02 0.00 0.00 176.95 177.74 2o5h s ILE 122 N 0.27 4.87 0.16 2.03 -1.09 0.58 -0.60 121.20 127.41 2o5h s ILE 122 Ca 0.03 0.02 -0.31 0.00 -2.23 0.00 0.00 60.65 58.16 2o5h s ILE 122 Cb -0.12 -3.30 -0.10 0.00 -1.58 0.00 0.00 42.46 37.36 2o5h s ILE 122 CO 0.00 0.30 1.58 -0.62 -1.23 0.00 0.00 174.94 174.97 2o5h s ASP 123 N 1.63 6.58 0.36 3.58 -1.08 -0.02 -4.76 116.67 122.96 2o5h s ASP 123 Ca 0.07 2.61 0.09 0.00 -0.52 0.00 0.00 52.55 54.80 2o5h s ASP 123 Cb -0.15 -2.59 0.68 0.00 -1.46 0.00 0.00 42.92 39.40 2o5h s ASP 123 CO 0.07 -0.84 1.85 -0.65 0.52 0.00 0.00 175.17 176.13 2o5h h PRO 124 N 6.95 0.23 0.18 4.34 0.11 -1.96 -1.92 132.00 139.94 2o5h h PRO 124 Ca -0.43 -0.07 -0.33 0.00 0.11 0.00 0.00 66.00 65.29 2o5h h PRO 124 Cb 1.20 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.30 2o5h h PRO 124 CO 0.92 0.45 -1.62 0.93 -0.21 0.00 0.00 178.00 178.47 2o5h h GLU 125 N 0.21 0.38 0.00 1.05 3.07 -1.98 -3.41 114.58 113.91 2o5h h GLU 125 Ca 0.04 -0.66 -0.10 0.00 -0.50 0.00 0.00 59.36 58.14 2o5h h GLU 125 Cb 0.51 0.24 -0.22 0.00 -0.84 0.00 0.00 28.75 28.45 2o5h h GLU 125 CO 0.03 1.31 -0.77 -0.40 -1.40 0.00 0.00 179.01 177.79 2o5h n ASP 126 N -3.70 0.97 -0.67 1.42 5.75 -1.25 -5.04 116.55 114.03 2o5h n ASP 126 Ca -0.23 -2.36 0.00 0.00 -0.01 0.00 0.00 54.79 52.18 2o5h n ASP 126 Cb 1.04 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 2o5h n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2o5h n GLY 127 N 0.01 0.00 3.79 6.12 0.00 -0.72 -4.94 105.19 109.45 2o5h n GLY 127 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2o5h n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2o5h s SER 128 N -0.67 5.09 -0.08 1.61 1.04 -1.26 -4.56 113.70 114.87 2o5h s SER 128 Ca 0.00 1.83 -0.02 0.00 0.48 0.00 0.00 55.95 58.24 2o5h s SER 128 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 2o5h s SER 128 CO 0.00 -1.64 0.02 -1.61 0.98 0.00 0.00 173.24 170.99 2o5h s GLU 129 N -4.54 3.02 -0.22 4.02 2.02 -1.26 -0.84 118.70 120.90 2o5h s GLU 129 Ca 0.63 -0.39 -0.04 0.00 0.02 0.00 0.00 54.97 55.19 2o5h s GLU 129 Cb -0.17 -2.83 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 2o5h s GLU 129 CO 0.48 0.71 -0.03 -0.47 0.02 0.00 0.00 175.26 175.96 2o5h s TYR 130 N -0.91 2.97 -2.43 1.61 5.04 0.24 -4.95 117.35 118.90 2o5h s TYR 130 Ca 0.14 -0.85 0.19 0.00 -2.44 0.00 0.00 57.07 54.11 2o5h s TYR 130 Cb -0.11 -2.11 0.15 0.00 0.35 0.00 0.00 41.96 40.24 2o5h s TYR 130 CO 0.03 -0.50 1.12 0.91 -1.34 0.00 0.00 175.55 175.77