#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1s s THR 2 N 0.00 3.58 0.09 -0.99 2.01 -0.48 -0.37 115.64 119.48 1g1s s THR 2 Ca 0.00 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1g1s s THR 2 Cb 0.00 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1g1s s THR 2 CO 0.00 0.54 0.23 -0.31 -0.69 0.00 0.00 174.62 174.40 1g1s s TYR 3 N -0.12 3.50 0.08 4.92 2.02 -1.26 -1.60 117.35 124.89 1g1s s TYR 3 Ca 0.01 0.20 -0.04 0.00 -0.37 0.00 0.00 57.07 56.87 1g1s s TYR 3 Cb -0.13 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 1g1s s TYR 3 CO 0.03 0.56 0.08 -1.01 -1.57 0.00 0.00 175.55 173.64 1g1s s HIS 4 N -1.59 0.42 0.08 2.71 3.76 -0.40 -4.96 115.29 115.30 1g1s s HIS 4 Ca 0.35 -0.89 -0.12 0.00 -0.15 0.00 0.00 55.06 54.25 1g1s s HIS 4 Cb -0.12 -0.26 0.01 0.00 1.11 0.00 0.00 32.58 33.32 1g1s s HIS 4 CO 0.28 -0.48 0.27 1.52 -0.85 0.00 0.00 174.74 175.48 1g1s s TYR 5 N -3.92 -0.01 0.18 1.40 1.13 -1.26 -0.49 117.35 114.39 1g1s s TYR 5 Ca 0.09 -0.29 -0.14 0.00 -1.41 0.00 0.00 57.07 55.31 1g1s s TYR 5 Cb 0.06 0.05 -0.07 0.00 -1.10 0.00 0.00 41.96 40.91 1g1s s TYR 5 CO -0.08 -0.55 0.58 -1.54 -2.51 0.00 0.00 175.55 171.44 1g1s s SER 6 N -2.54 6.81 0.30 -0.18 1.04 -0.79 -4.97 113.70 113.37 1g1s s SER 6 Ca 0.01 1.09 0.16 0.00 0.48 0.00 0.00 55.95 57.69 1g1s s SER 6 Cb 0.02 -2.29 0.17 0.00 0.10 0.00 0.00 66.02 64.02 1g1s s SER 6 CO -0.08 0.05 1.49 0.71 0.98 0.00 0.00 173.24 176.39 1g1s h THR 7 N 2.62 0.84 -2.08 2.02 1.35 -2.00 -3.41 112.91 112.25 1g1s h THR 7 Ca -0.48 -2.09 -0.49 0.00 -0.55 0.00 0.00 66.41 62.80 1g1s h THR 7 Cb 1.19 2.34 -0.04 0.00 -1.73 0.00 0.00 68.15 69.92 1g1s h THR 7 CO 0.66 0.46 -0.48 -0.54 -0.25 0.00 0.00 175.52 175.38 1g1s s LYS 8 N -3.06 2.97 -0.12 4.72 3.01 -1.26 -5.06 119.74 120.95 1g1s s LYS 8 Ca 0.03 -1.06 -0.07 0.00 -1.01 0.00 0.00 55.97 53.86 1g1s s LYS 8 Cb 0.08 -2.61 -0.04 0.00 -1.01 0.00 0.00 37.83 34.25 1g1s s LYS 8 CO 0.73 0.31 0.13 0.00 0.51 0.00 0.00 175.35 177.03 1g1s s ALA 9 N -2.15 3.83 0.26 5.17 0.00 -1.26 -4.50 121.76 123.10 1g1s s ALA 9 Ca 0.36 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1g1s s ALA 9 Cb -0.08 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 1g1s s ALA 9 CO 0.26 0.61 0.17 0.71 0.00 0.00 0.00 175.76 177.52 1g1s s TYR 10 N -1.00 1.41 0.94 0.00 2.02 0.28 -4.64 117.35 116.36 1g1s s TYR 10 Ca 0.15 -1.45 -0.11 0.00 -0.37 0.00 0.00 57.07 55.28 1g1s s TYR 10 Cb -0.12 -0.67 0.16 0.00 -0.40 0.00 0.00 41.96 40.93 1g1s s TYR 10 CO 0.04 -0.67 1.09 -1.54 -1.57 0.00 0.00 175.55 172.90 1g1s s SER 11 N -3.26 2.98 0.21 2.29 1.04 -1.26 -0.91 113.70 114.79 1g1s s SER 11 Ca 0.39 1.61 -0.09 0.00 0.48 0.00 0.00 55.95 58.33 1g1s s SER 11 Cb 0.05 -2.26 0.22 0.00 0.10 0.00 0.00 66.02 64.13 1g1s s SER 11 CO 0.17 -2.97 1.83 -0.25 0.98 0.00 0.00 173.24 173.01 1g1s h TRP 12 N -1.78 0.78 -0.41 5.02 7.01 -1.49 0.48 115.95 125.56 1g1s h TRP 12 Ca -0.50 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.49 1g1s h TRP 12 Cb 1.29 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 28.08 1g1s h TRP 12 CO 0.41 0.41 0.14 -0.91 -2.79 0.00 0.00 178.44 175.70 1g1s h ASN 13 N 0.79 0.59 0.36 2.65 2.35 -1.92 -0.14 115.58 120.26 1g1s h ASN 13 Ca 0.30 -0.20 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 1g1s h ASN 13 Cb 0.10 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1g1s h ASN 13 CO -0.14 0.63 -0.44 0.40 -1.65 0.00 0.00 177.43 176.22 1g1s h ILE 14 N 0.52 1.32 -0.47 2.81 1.08 -1.87 -1.49 117.51 119.41 1g1s h ILE 14 Ca 0.13 -1.56 -0.11 0.00 -0.39 0.00 0.00 64.86 62.94 1g1s h ILE 14 Cb 0.24 1.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 1g1s h ILE 14 CO -0.01 0.45 -0.12 0.28 -0.69 0.00 0.00 178.15 178.06 1g1s h SER 15 N 0.09 0.93 -0.41 1.72 0.02 -0.55 0.33 113.55 115.68 1g1s h SER 15 Ca 0.00 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.52 1g1s h SER 15 Cb 0.82 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1g1s h SER 15 CO 0.06 1.08 0.00 -0.09 -1.14 0.00 0.00 176.83 176.74 1g1s h ARG 16 N 0.76 0.80 -0.62 3.45 2.43 -0.72 -1.35 114.38 119.13 1g1s h ARG 16 Ca 0.12 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1g1s h ARG 16 Cb 0.68 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1g1s h ARG 16 CO 0.05 0.81 0.12 -0.22 -1.51 0.00 0.00 179.97 179.22 1g1s h LYS 17 N 0.75 1.01 -0.50 0.20 3.64 -0.97 -0.84 116.57 119.87 1g1s h LYS 17 Ca 0.15 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1g1s h LYS 17 Cb 0.45 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 1g1s h LYS 17 CO 0.02 0.94 0.23 -0.92 -2.27 0.00 0.00 179.45 177.45 1g1s h TYR 18 N 0.93 0.42 -0.48 1.91 5.03 -0.53 0.40 116.97 124.65 1g1s h TYR 18 Ca 0.19 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.44 1g1s h TYR 18 Cb 0.40 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 1g1s h TYR 18 CO 0.03 0.19 -0.03 0.00 -1.32 0.00 0.00 178.16 177.04 1g1s h GLN 20 N 0.71 0.00 0.08 0.00 4.20 -0.89 0.35 115.11 119.57 1g1s h GLN 20 Ca 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1g1s h GLN 20 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1g1s h GLN 20 CO 0.03 0.49 -0.04 -0.97 -0.67 0.00 0.00 178.83 177.67 1g1s h ASN 21 N 0.00 -0.10 0.56 1.46 -0.73 -0.79 -3.38 115.58 112.61 1g1s h ASN 21 Ca -0.00 -0.49 -0.28 0.00 1.87 0.00 0.00 56.30 57.39 1g1s h ASN 21 Cb 0.96 0.02 -0.05 0.00 0.27 0.00 0.00 38.32 39.53 1g1s h ASN 21 CO 0.06 0.51 -1.60 0.03 -0.37 0.00 0.00 177.43 176.06 1g1s h ARG 22 N -0.77 0.01 0.00 6.67 2.47 -1.44 -3.49 114.38 117.84 1g1s h ARG 22 Ca -0.01 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1g1s h ARG 22 Cb 0.58 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1g1s h ARG 22 CO 0.02 0.60 0.00 0.66 0.56 0.00 0.00 179.97 181.81 1g1s n TYR 23 N -3.11 0.00 -0.08 3.04 4.01 0.12 -5.09 117.16 116.05 1g1s n TYR 23 Ca -0.14 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.47 1g1s n TYR 23 Cb 1.03 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.02 1g1s n TYR 23 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1g1s n THR 24 N 0.00 1.40 -3.91 -0.72 -1.04 -0.56 -4.55 114.28 104.89 1g1s n THR 24 Ca 0.00 0.05 -0.01 0.00 -2.04 0.00 0.00 64.05 62.04 1g1s n THR 24 Cb 0.00 -2.10 0.02 0.00 -1.82 0.00 0.00 70.33 66.42 1g1s n THR 24 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1g1s s ASP 25 N -6.24 0.01 0.57 8.00 -1.08 -1.23 -4.13 116.67 112.56 1g1s s ASP 25 Ca -0.26 -0.52 -0.19 0.00 -0.52 0.00 0.00 52.55 51.05 1g1s s ASP 25 Cb 0.06 0.39 -0.05 0.00 -1.46 0.00 0.00 42.92 41.86 1g1s s ASP 25 CO 0.37 -0.77 1.19 -0.76 0.52 0.00 0.00 175.17 175.72 1g1s s LEU 26 N -3.53 3.73 0.48 -1.34 1.43 -1.26 -1.98 118.68 116.20 1g1s s LEU 26 Ca 0.24 2.34 -0.22 0.00 -1.03 0.00 0.00 54.13 55.46 1g1s s LEU 26 Cb -0.02 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.58 1g1s s LEU 26 CO 0.03 -1.43 1.18 0.68 0.23 0.00 0.00 176.35 177.04 1g1s s VAL 27 N -1.62 3.00 -0.38 -1.59 -7.23 -0.31 -4.53 120.40 107.75 1g1s s VAL 27 Ca 0.75 0.74 -0.01 0.00 -1.81 0.00 0.00 61.98 61.64 1g1s s VAL 27 Cb -0.29 -3.37 0.10 0.00 0.56 0.00 0.00 36.38 33.38 1g1s s VAL 27 CO 0.32 -0.02 0.14 0.00 -0.31 0.00 0.00 175.10 175.23 1g1s s ALA 28 N -1.54 3.05 -0.13 1.32 0.00 -1.26 -0.38 121.76 122.81 1g1s s ALA 28 Ca 0.65 -2.39 -0.29 0.00 0.00 0.00 0.00 51.96 49.94 1g1s s ALA 28 Cb -0.29 -2.25 -0.06 0.00 0.00 0.00 0.00 23.12 20.52 1g1s s ALA 28 CO 0.35 -1.68 2.10 0.42 0.00 0.00 0.00 175.76 176.96 1g1s s ILE 29 N 1.12 3.05 -0.03 0.00 -1.09 -1.26 -4.88 121.20 118.10 1g1s s ILE 29 Ca 0.06 0.05 0.12 0.00 -2.23 0.00 0.00 60.65 58.65 1g1s s ILE 29 Cb -0.22 -3.05 -0.22 0.00 -1.58 0.00 0.00 42.46 37.39 1g1s s ILE 29 CO -0.04 -0.02 0.72 1.56 -1.23 0.00 0.00 174.94 175.93 1g1s h GLN 30 N 13.34 0.00 -2.95 2.79 4.20 -1.97 -3.50 115.11 127.02 1g1s h GLN 30 Ca -0.44 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.31 1g1s h GLN 30 Cb 1.23 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.99 1g1s h GLN 30 CO 0.96 0.53 0.28 0.54 -0.67 0.00 0.00 178.83 180.46 1g1s s ASN 31 N -6.13 -0.12 0.37 1.46 2.20 -1.26 -5.03 114.94 106.43 1g1s s ASN 31 Ca -0.04 -0.85 0.14 0.00 -0.94 0.00 0.00 52.86 51.18 1g1s s ASN 31 Cb 0.08 0.76 0.72 0.00 -2.00 0.00 0.00 41.25 40.81 1g1s s ASN 31 CO 0.82 -1.47 1.80 0.11 -2.94 0.00 0.00 177.10 175.43 1g1s h LYS 32 N 2.00 0.00 -0.76 3.55 1.57 -1.96 -2.85 116.57 118.12 1g1s h LYS 32 Ca -0.26 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.48 1g1s h LYS 32 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 1g1s h LYS 32 CO 0.32 0.39 0.30 -0.91 -0.57 0.00 0.00 179.45 178.97 1g1s h ASN 33 N 0.00 1.05 -0.54 0.86 2.35 -1.99 0.32 115.58 117.63 1g1s h ASN 33 Ca -0.00 -0.16 -0.08 0.00 -0.55 0.00 0.00 56.30 55.50 1g1s h ASN 33 Cb 0.74 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1g1s h ASN 33 CO 0.05 0.94 0.02 -0.33 -1.65 0.00 0.00 177.43 176.46 1g1s h GLU 34 N 1.11 0.94 -0.46 0.81 5.08 -1.92 -1.76 114.58 118.38 1g1s h GLU 34 Ca 0.25 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1g1s h GLU 34 Cb 0.22 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1g1s h GLU 34 CO -0.02 0.94 0.24 0.82 -1.00 0.00 0.00 179.01 179.99 1g1s h ILE 35 N 0.82 1.18 -0.62 3.13 2.04 -1.21 -0.95 117.51 121.89 1g1s h ILE 35 Ca 0.16 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.57 1g1s h ILE 35 Cb 0.51 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1g1s h ILE 35 CO 0.02 0.19 0.38 -0.78 0.00 0.00 0.00 178.15 177.96 1g1s h ASP 36 N 0.61 0.61 0.21 1.72 -0.00 -0.76 0.17 116.42 118.97 1g1s h ASP 36 Ca 0.16 0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 57.19 1g1s h ASP 36 Cb 0.09 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.30 1g1s h ASP 36 CO -0.02 0.42 -0.11 0.22 -0.00 0.00 0.00 179.24 179.75 1g1s h TYR 37 N 0.74 -0.28 -0.78 0.28 3.20 -0.95 -2.16 116.97 117.03 1g1s h TYR 37 Ca 0.25 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1g1s h TYR 37 Cb 0.04 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1g1s h TYR 37 CO -0.06 -0.17 0.41 -0.07 -1.64 0.00 0.00 178.16 176.64 1g1s h LEU 38 N -0.29 0.98 -1.60 2.82 3.38 -0.85 -0.38 115.31 119.35 1g1s h LEU 38 Ca -0.03 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1g1s h LEU 38 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1g1s h LEU 38 CO 0.04 0.79 -0.13 -1.13 0.09 0.00 0.00 178.44 178.10 1g1s h ASN 39 N 1.09 0.08 0.19 -0.43 -1.24 -0.73 -1.23 115.58 113.31 1g1s h ASN 39 Ca 0.27 -0.01 -0.33 0.00 0.71 0.00 0.00 56.30 56.94 1g1s h ASN 39 Cb 0.04 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.09 1g1s h ASN 39 CO -0.04 0.23 -1.59 0.11 -1.29 0.00 0.00 177.43 174.85 1g1s h LYS 40 N 0.09 0.40 0.00 6.67 1.57 -0.68 -3.40 116.57 121.21 1g1s h LYS 40 Ca 0.02 -0.68 -0.17 0.00 -1.87 0.00 0.00 60.65 57.95 1g1s h LYS 40 Cb 0.29 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1g1s h LYS 40 CO 0.02 1.33 -1.14 -0.24 -0.57 0.00 0.00 179.45 178.85 1g1s h VAL 41 N 0.02 0.75 -3.72 0.50 3.04 -0.99 -3.47 116.25 112.38 1g1s h VAL 41 Ca -0.31 -2.26 -0.49 0.00 -1.01 0.00 0.00 66.70 62.62 1g1s h VAL 41 Cb 2.04 2.26 -0.03 0.00 -2.01 0.00 0.00 31.29 33.55 1g1s h VAL 41 CO 0.18 0.43 0.21 -0.76 -1.01 0.00 0.00 177.57 176.62 1g1s s LEU 42 N -6.09 4.31 0.49 3.16 1.43 -0.48 -5.04 118.68 116.46 1g1s s LEU 42 Ca -0.01 1.59 -0.22 0.00 -1.03 0.00 0.00 54.13 54.46 1g1s s LEU 42 Cb 0.08 -3.83 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 1g1s s LEU 42 CO 0.79 -0.04 1.16 -2.84 0.23 0.00 0.00 176.35 175.65 1g1s s PRO 43 N -2.12 3.58 0.18 1.29 0.02 -1.26 -4.89 135.00 131.79 1g1s s PRO 43 Ca 0.47 1.73 -0.30 0.00 0.02 0.00 0.00 61.00 62.92 1g1s s PRO 43 Cb -0.17 -2.25 -0.08 0.00 0.02 0.00 0.00 34.50 32.03 1g1s s PRO 43 CO 0.21 -0.69 1.09 -0.47 -0.33 0.00 0.00 177.00 176.81 1g1s s TYR 44 N -1.62 3.62 -0.02 6.54 5.04 -1.26 -4.96 117.35 124.68 1g1s s TYR 44 Ca 0.67 1.62 0.00 0.00 -2.44 0.00 0.00 57.07 56.93 1g1s s TYR 44 Cb -0.27 -3.25 0.03 0.00 0.35 0.00 0.00 41.96 38.81 1g1s s TYR 44 CO 0.32 -0.53 0.02 0.71 -1.34 0.00 0.00 175.55 174.74 1g1s s TYR 45 N -0.28 0.14 0.62 4.97 2.02 -1.26 -5.04 117.35 118.52 1g1s s TYR 45 Ca 0.49 0.09 0.36 0.00 -0.37 0.00 0.00 57.07 57.63 1g1s s TYR 45 Cb -0.29 -0.31 2.06 0.00 -0.40 0.00 0.00 41.96 43.02 1g1s s TYR 45 CO 0.35 -0.11 2.30 0.66 -1.57 0.00 0.00 175.55 177.18 1g1s h SER 46 N 7.33 0.00 0.76 2.29 4.64 -1.96 -0.16 113.55 126.46 1g1s h SER 46 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1g1s h SER 46 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1g1s h SER 46 CO 0.46 0.00 -0.28 -1.54 -0.87 0.00 0.00 176.83 174.60 1g1s n SER 47 N -3.55 0.31 -0.08 4.97 3.41 -1.26 -5.04 113.62 112.38 1g1s n SER 47 Ca -0.03 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1g1s n SER 47 Cb 0.08 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1g1s n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1g1s n TYR 48 N -1.56 -0.95 -4.43 7.33 4.01 -0.08 -4.67 117.16 116.82 1g1s n TYR 48 Ca 0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.60 1g1s n TYR 48 Cb 0.35 0.18 -0.14 0.00 -0.31 0.00 0.00 39.34 39.41 1g1s n TYR 48 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1g1s s TYR 49 N 0.00 1.10 0.25 -0.72 1.51 -1.22 -1.88 117.35 116.38 1g1s s TYR 49 Ca 0.00 -0.27 -0.28 0.00 -1.01 0.00 0.00 57.07 55.51 1g1s s TYR 49 Cb 0.00 -0.68 -0.09 0.00 -0.11 0.00 0.00 41.96 41.08 1g1s s TYR 49 CO 0.00 0.00 0.90 -1.58 -1.11 0.00 0.00 175.55 173.77 1g1s s TRP 50 N -0.55 3.89 0.36 2.71 0.23 -0.12 -0.62 118.94 124.84 1g1s s TRP 50 Ca 0.03 1.82 0.05 0.00 -2.03 0.00 0.00 56.10 55.97 1g1s s TRP 50 Cb -0.06 -2.91 -0.07 0.00 0.03 0.00 0.00 33.47 30.45 1g1s s TRP 50 CO 0.00 0.40 0.03 0.96 0.96 0.00 0.00 176.95 179.31 1g1s s ILE 51 N -1.30 1.54 0.00 2.03 -4.36 -0.60 -3.35 121.20 115.17 1g1s s ILE 51 Ca 0.42 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.77 1g1s s ILE 51 Cb -0.23 -2.87 -0.19 0.00 1.25 0.00 0.00 42.46 40.42 1g1s s ILE 51 CO 0.29 -0.01 2.72 0.61 0.24 0.00 0.00 174.94 178.79 1g1s n GLY 52 N -0.80 2.44 2.94 6.27 0.00 0.48 -4.57 105.19 111.96 1g1s n GLY 52 Ca -0.03 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 1g1s n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g1s s ILE 53 N 1.47 0.75 -0.00 -0.61 1.01 -1.26 -1.14 121.20 121.42 1g1s s ILE 53 Ca 0.46 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.75 1g1s s ILE 53 Cb 0.22 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.97 1g1s s ILE 53 CO 0.00 0.27 0.23 -0.60 0.00 0.00 0.00 174.94 174.84 1g1s s ARG 54 N 0.81 0.58 -0.14 2.79 3.52 -0.46 -2.47 118.95 123.58 1g1s s ARG 54 Ca -0.13 -0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 54.88 1g1s s ARG 54 Cb -0.15 0.25 -0.01 0.00 -1.56 0.00 0.00 34.95 33.48 1g1s s ARG 54 CO 0.01 -0.15 1.08 0.21 -0.81 0.00 0.00 175.30 175.64 1g1s s LYS 55 N -1.37 4.34 -0.27 5.12 2.20 0.45 -1.33 119.74 128.88 1g1s s LYS 55 Ca -0.14 1.46 -0.05 0.00 -0.36 0.00 0.00 55.97 56.88 1g1s s LYS 55 Cb -0.06 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 1g1s s LYS 55 CO 0.03 -0.47 0.03 1.21 -0.36 0.00 0.00 175.35 175.78 1g1s s ASN 56 N 1.29 4.79 1.37 1.43 2.47 0.66 -4.84 114.94 122.11 1g1s s ASN 56 Ca 0.49 -0.63 0.00 0.00 0.42 0.00 0.00 52.86 53.14 1g1s s ASN 56 Cb -0.19 -1.81 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 1g1s s ASN 56 CO 0.15 -0.13 0.00 0.59 -3.72 0.00 0.00 177.10 173.99 1g1s n ASN 57 N 4.82 0.00 -0.45 -4.21 3.02 -1.26 -0.76 115.26 116.41 1g1s n ASN 57 Ca -0.16 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.45 1g1s n ASN 57 Cb 0.49 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.75 1g1s n ASN 57 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1g1s n LYS 58 N 1.84 0.82 -4.33 3.52 0.00 -1.26 -5.03 118.16 113.72 1g1s n LYS 58 Ca 0.00 -2.19 -0.33 0.00 -0.00 0.00 0.00 58.31 55.79 1g1s n LYS 58 Cb 0.00 -1.06 -0.16 0.00 -0.00 0.00 0.00 35.03 33.81 1g1s n LYS 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1g1s s THR 59 N -1.79 2.22 0.20 0.58 2.01 0.06 -5.09 115.64 113.84 1g1s s THR 59 Ca 0.24 -0.90 -0.32 0.00 0.31 0.00 0.00 61.69 61.02 1g1s s THR 59 Cb 0.23 -1.92 -0.11 0.00 0.01 0.00 0.00 72.50 70.70 1g1s s THR 59 CO -0.02 0.53 1.66 0.26 -0.69 0.00 0.00 174.62 176.36 1g1s s TRP 60 N 1.10 2.95 -0.01 4.92 0.52 -1.26 -0.24 118.94 126.91 1g1s s TRP 60 Ca 0.00 0.48 -0.01 0.00 0.02 0.00 0.00 56.10 56.59 1g1s s TRP 60 Cb -0.14 -4.06 -0.00 0.00 -1.15 0.00 0.00 33.47 28.12 1g1s s TRP 60 CO -0.07 -3.94 0.03 0.99 0.02 0.00 0.00 176.95 173.97 1g1s s THR 61 N 1.05 0.03 -0.15 2.01 2.01 -0.44 -1.31 115.64 118.83 1g1s s THR 61 Ca 0.72 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.19 1g1s s THR 61 Cb -0.48 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 71.89 1g1s s THR 61 CO 0.33 -0.13 1.35 0.26 -0.69 0.00 0.00 174.62 175.74 1g1s s TRP 62 N -0.38 2.66 -0.28 4.92 0.52 -0.38 -1.35 118.94 124.65 1g1s s TRP 62 Ca -0.04 0.83 0.28 0.00 0.02 0.00 0.00 56.10 57.19 1g1s s TRP 62 Cb -0.03 -3.60 0.99 0.00 -1.15 0.00 0.00 33.47 29.68 1g1s s TRP 62 CO -0.00 -2.16 1.81 -0.39 0.02 0.00 0.00 176.95 176.23 1g1s h VAL 63 N 5.53 0.00 0.12 4.03 -1.51 -1.46 0.18 116.25 123.14 1g1s h VAL 63 Ca -0.29 -0.53 -0.01 0.00 -1.23 0.00 0.00 66.70 64.65 1g1s h VAL 63 Cb 1.12 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1g1s h VAL 63 CO 0.97 0.00 -0.06 1.23 -1.23 0.00 0.00 177.57 178.48 1g1s h GLY 64 N 2.84 -0.17 0.73 5.19 0.00 -1.91 -3.35 103.07 106.40 1g1s h GLY 64 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1g1s h GLY 64 CO 0.00 -0.06 -0.86 -1.30 0.00 0.00 0.00 176.54 174.32 1g1s n THR 65 N -4.87 0.16 -1.19 4.70 -2.24 -1.23 -4.96 114.28 104.66 1g1s n THR 65 Ca -0.08 -0.19 -0.06 0.00 -2.27 0.00 0.00 64.05 61.45 1g1s n THR 65 Cb 0.27 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 1g1s n THR 65 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1g1s n LYS 66 N -1.88 -0.70 -3.66 -0.78 5.02 0.63 -5.01 118.16 111.79 1g1s n LYS 66 Ca 0.03 0.65 -0.36 0.00 -2.02 0.00 0.00 58.31 56.60 1g1s n LYS 66 Cb 0.41 -4.46 -0.06 0.00 -0.02 0.00 0.00 35.03 30.90 1g1s n LYS 66 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1g1s s LYS 67 N -2.22 3.71 0.51 1.97 1.02 -1.23 -4.80 119.74 118.69 1g1s s LYS 67 Ca 0.00 0.14 -0.23 0.00 0.02 0.00 0.00 55.97 55.89 1g1s s LYS 67 Cb 0.00 -3.13 -0.06 0.00 -0.52 0.00 0.00 37.83 34.11 1g1s s LYS 67 CO 0.00 0.67 1.38 0.00 -0.92 0.00 0.00 175.35 176.48 1g1s n ALA 68 N 1.49 1.74 -2.24 5.17 0.00 -1.26 -1.25 120.51 124.15 1g1s n ALA 68 Ca -0.13 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1g1s n ALA 68 Cb 0.53 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 1g1s n ALA 68 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1g1s s LEU 69 N -3.10 4.33 0.41 0.00 2.96 -0.43 -4.81 118.68 118.04 1g1s s LEU 69 Ca 0.68 2.14 0.01 0.00 -0.22 0.00 0.00 54.13 56.74 1g1s s LEU 69 Cb -0.43 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.68 1g1s s LEU 69 CO 0.52 -0.67 0.61 0.42 -1.32 0.00 0.00 176.35 175.92 1g1s s THR 70 N 1.93 4.21 -0.22 3.68 -4.23 -1.26 -4.96 115.64 114.80 1g1s s THR 70 Ca 0.63 -0.58 0.27 0.00 -1.18 0.00 0.00 61.69 60.83 1g1s s THR 70 Cb -0.32 -3.54 0.29 0.00 1.34 0.00 0.00 72.50 70.28 1g1s s THR 70 CO 0.27 -0.34 1.82 0.78 -0.54 0.00 0.00 174.62 176.61 1g1s h ASN 71 N 0.55 0.00 0.45 3.99 -0.26 -1.97 -2.49 115.58 115.86 1g1s h ASN 71 Ca -0.47 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.06 1g1s h ASN 71 Cb 1.25 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.50 1g1s h ASN 71 CO 0.57 0.00 -0.90 -0.33 -1.06 0.00 0.00 177.43 175.71 1g1s h GLU 72 N 0.00 0.31 0.15 0.81 5.08 -2.01 -3.32 114.58 115.59 1g1s h GLU 72 Ca 0.00 -0.33 -0.34 0.00 -1.00 0.00 0.00 59.36 57.69 1g1s h GLU 72 Cb 0.33 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1g1s h GLU 72 CO 0.00 1.02 -1.72 0.00 -1.00 0.00 0.00 179.01 177.31 1g1s h ALA 73 N 0.86 0.25 -0.38 3.43 0.00 -1.88 -3.48 119.26 118.06 1g1s h ALA 73 Ca -0.06 -1.18 -0.29 0.00 0.00 0.00 0.00 54.91 53.38 1g1s h ALA 73 Cb 1.53 0.44 0.02 0.00 0.00 0.00 0.00 17.79 19.78 1g1s h ALA 73 CO 0.15 1.12 -0.02 -1.91 0.00 0.00 0.00 179.25 178.58 1g1s n GLU 74 N -3.51 0.00 -2.57 0.00 0.00 -0.97 -4.92 120.64 108.66 1g1s n GLU 74 Ca -0.23 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 56.93 1g1s n GLU 74 Cb 1.06 -0.54 0.06 0.00 0.00 0.00 0.00 31.44 32.02 1g1s n GLU 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1g1s n ASN 75 N 0.62 0.81 -4.76 4.31 5.15 -1.26 -5.05 115.26 115.07 1g1s n ASN 75 Ca 0.08 -2.06 -0.39 0.00 -0.60 0.00 0.00 54.58 51.61 1g1s n ASN 75 Cb 0.04 -0.20 0.01 0.00 -0.53 0.00 0.00 39.78 39.11 1g1s n ASN 75 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1g1s s TRP 76 N -2.43 2.56 0.75 1.20 0.52 -1.26 -0.69 118.94 119.58 1g1s s TRP 76 Ca 0.23 1.33 -0.11 0.00 0.02 0.00 0.00 56.10 57.58 1g1s s TRP 76 Cb 0.34 -3.81 0.04 0.00 -1.15 0.00 0.00 33.47 28.89 1g1s s TRP 76 CO -0.07 -2.62 1.08 0.00 0.02 0.00 0.00 176.95 175.35 1g1s s ALA 77 N -1.25 2.43 0.29 0.98 0.00 -0.36 -4.67 121.76 119.18 1g1s s ALA 77 Ca 0.61 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 1g1s s ALA 77 Cb -0.41 -3.18 -0.13 0.00 0.00 0.00 0.00 23.12 19.40 1g1s s ALA 77 CO 0.52 -1.52 1.35 -0.25 0.00 0.00 0.00 175.76 175.86 1g1s n ASP 78 N -3.33 2.77 0.00 0.00 8.00 -1.26 -1.77 116.55 120.96 1g1s n ASP 78 Ca 0.08 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.75 1g1s n ASP 78 Cb 0.54 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1g1s n ASP 78 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1g1s n ASN 79 N 1.45 -1.54 -4.51 -2.24 5.03 -1.26 -5.01 115.26 107.18 1g1s n ASN 79 Ca 0.08 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.27 1g1s n ASN 79 Cb 0.34 -0.80 -0.10 0.00 -1.02 0.00 0.00 39.78 38.20 1g1s n ASN 79 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1g1s s GLU 80 N -0.31 1.84 0.41 3.52 0.41 -0.73 -4.03 118.70 119.81 1g1s s GLU 80 Ca 0.00 -1.49 -0.24 0.00 -0.41 0.00 0.00 54.97 52.83 1g1s s GLU 80 Cb 0.00 -1.97 -0.09 0.00 -1.78 0.00 0.00 34.13 30.29 1g1s s GLU 80 CO 0.00 0.39 1.07 -1.25 -0.49 0.00 0.00 175.26 174.98 1g1s s PRO 81 N -3.07 4.08 0.00 0.39 0.04 -1.26 -4.63 135.00 130.55 1g1s s PRO 81 Ca 0.26 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1g1s s PRO 81 Cb -0.07 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1g1s s PRO 81 CO 0.14 -0.23 0.50 0.27 0.04 0.00 0.00 177.00 177.73 1g1s n ASN 82 N -0.18 0.98 -3.68 6.66 0.23 -1.26 -5.01 115.26 113.00 1g1s n ASN 82 Ca 0.06 -1.15 -0.25 0.00 -0.53 0.00 0.00 54.58 52.71 1g1s n ASN 82 Cb 0.49 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.13 1g1s n ASN 82 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1g1s n ASN 83 N -0.07 -0.14 -0.16 0.53 4.05 -1.26 -4.80 115.26 113.41 1g1s n ASN 83 Ca 0.00 -0.87 -0.08 0.00 0.45 0.00 0.00 54.58 54.08 1g1s n ASN 83 Cb 0.09 -1.09 0.01 0.00 1.23 0.00 0.00 39.78 40.01 1g1s n ASN 83 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 1g1s h LYS 84 N -0.78 0.66 -0.00 1.20 3.64 -1.95 -2.39 116.57 116.95 1g1s h LYS 84 Ca -0.43 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1g1s h LYS 84 Cb 0.96 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1g1s h LYS 84 CO 0.54 0.55 -0.12 -2.13 -2.27 0.00 0.00 179.45 176.03 1g1s n ARG 85 N -4.65 0.24 -0.23 1.90 0.63 -1.26 -5.02 116.66 108.27 1g1s n ARG 85 Ca 0.01 -0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1g1s n ARG 85 Cb 0.11 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.52 1g1s n ARG 85 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1g1s n ASN 86 N -1.33 -1.37 -1.76 6.15 5.15 -0.90 -4.88 115.26 116.32 1g1s n ASN 86 Ca 0.10 0.27 -0.16 0.00 -0.60 0.00 0.00 54.58 54.18 1g1s n ASN 86 Cb 0.31 0.10 -0.02 0.00 -0.53 0.00 0.00 39.78 39.64 1g1s n ASN 86 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1g1s n ASN 87 N -1.58 -4.85 -4.36 1.20 3.02 -1.26 -4.83 115.26 102.60 1g1s n ASN 87 Ca 0.00 0.05 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 1g1s n ASN 87 Cb 0.06 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 1g1s n ASN 87 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1g1s n GLU 88 N -2.55 3.31 -0.12 3.52 1.02 -1.26 -4.09 120.64 120.46 1g1s n GLU 88 Ca -0.19 -3.54 0.12 0.00 -0.02 0.00 0.00 57.16 53.53 1g1s n GLU 88 Cb 0.63 -3.18 0.23 0.00 -0.02 0.00 0.00 31.44 29.09 1g1s n GLU 88 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1g1s n ASP 89 N 6.24 3.03 -4.38 1.62 8.00 -1.16 -4.23 116.55 125.67 1g1s n ASP 89 Ca 0.42 -1.94 -0.25 0.00 0.71 0.00 0.00 54.79 53.74 1g1s n ASP 89 Cb 0.42 -0.16 -0.12 0.00 -0.02 0.00 0.00 41.12 41.25 1g1s n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g1s s VAL 91 N -1.80 3.94 0.17 0.00 1.01 -1.03 -0.29 120.40 122.40 1g1s s VAL 91 Ca 0.18 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1g1s s VAL 91 Cb -0.07 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1g1s s VAL 91 CO 0.08 0.53 -0.02 -1.83 0.00 0.00 0.00 175.10 173.86 1g1s s GLU 92 N -0.01 2.33 -0.12 2.72 -1.05 -0.48 -1.56 118.70 120.54 1g1s s GLU 92 Ca 0.01 -1.13 0.01 0.00 -0.15 0.00 0.00 54.97 53.71 1g1s s GLU 92 Cb -0.13 -2.32 -0.01 0.00 -0.44 0.00 0.00 34.13 31.23 1g1s s GLU 92 CO 0.03 0.45 -0.17 -1.50 0.95 0.00 0.00 175.26 175.02 1g1s s ILE 93 N -1.70 2.69 -1.09 1.83 2.07 0.21 -1.71 121.20 123.49 1g1s s ILE 93 Ca 0.27 -0.79 -0.11 0.00 -1.41 0.00 0.00 60.65 58.61 1g1s s ILE 93 Cb -0.09 -2.10 -0.07 0.00 0.13 0.00 0.00 42.46 40.33 1g1s s ILE 93 CO 0.18 0.54 2.26 -1.22 -1.91 0.00 0.00 174.94 174.78 1g1s n TYR 94 N 3.56 1.93 -1.67 3.50 4.01 -0.20 -3.43 117.16 124.86 1g1s n TYR 94 Ca -0.18 -2.28 -0.42 0.00 -0.16 0.00 0.00 57.90 54.86 1g1s n TYR 94 Cb 0.53 -1.95 -0.03 0.00 -0.31 0.00 0.00 39.34 37.58 1g1s n TYR 94 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1g1s s ILE 95 N 3.47 2.82 -2.01 -0.72 -1.09 -1.26 -1.64 121.20 120.76 1g1s s ILE 95 Ca 0.50 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 1g1s s ILE 95 Cb 0.13 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 1g1s s ILE 95 CO -0.01 -0.00 0.00 0.29 -1.23 0.00 0.00 174.94 173.99 1g1s n LYS 96 N 6.91 -1.57 -2.10 2.79 5.02 -1.26 -4.65 118.16 123.29 1g1s n LYS 96 Ca 0.19 1.13 -0.40 0.00 -2.02 0.00 0.00 58.31 57.21 1g1s n LYS 96 Cb 0.40 -5.65 -0.02 0.00 -0.02 0.00 0.00 35.03 29.74 1g1s n LYS 96 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1g1s s SER 97 N -2.42 6.65 0.43 4.39 0.15 -0.92 -4.90 113.70 117.08 1g1s s SER 97 Ca 0.00 2.67 0.28 0.00 0.70 0.00 0.00 55.95 59.60 1g1s s SER 97 Cb 0.00 -2.65 0.90 0.00 -1.71 0.00 0.00 66.02 62.56 1g1s s SER 97 CO 0.00 -0.62 1.79 1.55 1.20 0.00 0.00 173.24 177.17 1g1s h PRO 98 N 3.18 0.00 0.00 5.44 0.13 -1.92 -3.20 132.00 135.62 1g1s h PRO 98 Ca -0.49 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.44 1g1s h PRO 98 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1g1s h PRO 98 CO 0.65 0.00 -1.79 -1.13 -0.23 0.00 0.00 178.00 175.50 1g1s n SER 99 N -2.86 2.07 -3.07 1.44 3.41 -1.26 -4.84 113.62 108.51 1g1s n SER 99 Ca 0.03 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.48 1g1s n SER 99 Cb 0.39 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 1g1s n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g1s n ALA 100 N -2.39 1.29 -1.66 7.33 0.00 -1.25 -5.11 120.51 118.72 1g1s n ALA 100 Ca -0.18 -2.90 -0.46 0.00 0.00 0.00 0.00 53.44 49.90 1g1s n ALA 100 Cb 0.83 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.25 1g1s n ALA 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1g1s n PRO 101 N 0.30 1.97 -0.02 0.00 -0.04 -1.21 -2.17 135.00 133.82 1g1s n PRO 101 Ca 0.20 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1g1s n PRO 101 Cb 0.67 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1g1s n PRO 101 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1g1s n GLY 102 N 2.77 2.53 3.80 0.55 0.00 -0.65 -4.98 105.19 109.19 1g1s n GLY 102 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1g1s n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g1s s LYS 103 N -0.00 2.11 0.17 1.61 -0.14 -0.92 -4.63 119.74 117.94 1g1s s LYS 103 Ca 0.00 0.71 0.04 0.00 -1.36 0.00 0.00 55.97 55.37 1g1s s LYS 103 Cb 0.00 -1.92 -0.04 0.00 -1.68 0.00 0.00 37.83 34.20 1g1s s LYS 103 CO 0.00 -1.62 0.19 -1.58 -0.76 0.00 0.00 175.35 171.58 1g1s s TRP 104 N -3.11 3.25 -0.10 3.18 0.51 0.13 -1.03 118.94 121.77 1g1s s TRP 104 Ca 0.61 0.01 -0.11 0.00 -2.12 0.00 0.00 56.10 54.49 1g1s s TRP 104 Cb -0.15 -1.55 0.03 0.00 -0.81 0.00 0.00 33.47 30.99 1g1s s TRP 104 CO 0.55 0.52 0.31 1.21 -0.51 0.00 0.00 176.95 179.02 1g1s s ASN 105 N -3.24 -0.30 0.11 2.95 2.47 -0.69 -1.22 114.94 115.02 1g1s s ASN 105 Ca 0.32 0.53 -0.24 0.00 0.42 0.00 0.00 52.86 53.90 1g1s s ASN 105 Cb -0.10 0.58 -0.07 0.00 -1.45 0.00 0.00 41.25 40.21 1g1s s ASN 105 CO 0.25 -0.16 0.72 1.51 -3.72 0.00 0.00 177.10 175.70 1g1s s ASP 106 N -0.06 7.26 0.04 -4.21 -4.77 -1.26 -1.38 116.67 112.29 1g1s s ASP 106 Ca -0.02 1.49 -0.05 0.00 -3.30 0.00 0.00 52.55 50.67 1g1s s ASP 106 Cb -0.03 -2.45 -0.01 0.00 -1.09 0.00 0.00 42.92 39.33 1g1s s ASP 106 CO 0.01 0.18 0.09 -1.61 0.70 0.00 0.00 175.17 174.54 1g1s s GLU 107 N -0.86 0.61 0.26 2.11 0.41 0.60 -4.84 118.70 116.99 1g1s s GLU 107 Ca 0.35 -0.82 -0.30 0.00 -0.41 0.00 0.00 54.97 53.78 1g1s s GLU 107 Cb -0.22 0.24 -0.11 0.00 -1.78 0.00 0.00 34.13 32.26 1g1s s GLU 107 CO 0.23 -0.15 1.59 -1.58 -0.49 0.00 0.00 175.26 174.86 1g1s s HIS 108 N -2.85 2.84 -0.75 1.61 5.65 -1.26 -2.09 115.29 118.44 1g1s s HIS 108 Ca -0.03 0.74 0.11 0.00 0.25 0.00 0.00 55.06 56.13 1g1s s HIS 108 Cb 0.00 -4.03 0.54 0.00 -1.18 0.00 0.00 32.58 27.92 1g1s s HIS 108 CO -0.06 -3.55 1.36 0.00 -0.65 0.00 0.00 174.74 171.84 1g1s n LEU 110 N -1.77 3.48 -4.84 0.00 4.77 -1.26 -1.70 117.00 115.68 1g1s n LEU 110 Ca 0.01 -1.73 -0.32 0.00 -0.03 0.00 0.00 56.01 53.93 1g1s n LEU 110 Cb 0.08 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1g1s n LEU 110 CO 0.08 0.87 0.69 -0.54 -1.33 0.00 0.00 177.39 177.16 1g1s s LYS 111 N -1.14 3.83 -0.18 3.23 -0.14 -0.83 -4.83 119.74 119.68 1g1s s LYS 111 Ca 0.43 0.98 -0.11 0.00 -1.36 0.00 0.00 55.97 55.92 1g1s s LYS 111 Cb 0.23 -2.12 -0.05 0.00 -1.68 0.00 0.00 37.83 34.21 1g1s s LYS 111 CO 0.30 -0.37 0.18 0.15 -0.76 0.00 0.00 175.35 174.84 1g1s s LYS 112 N -4.14 4.17 0.24 1.68 1.02 -1.26 -4.10 119.74 117.35 1g1s s LYS 112 Ca 0.59 -0.13 -0.05 0.00 0.02 0.00 0.00 55.97 56.40 1g1s s LYS 112 Cb -0.11 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1g1s s LYS 112 CO 0.33 0.31 0.30 0.15 -0.92 0.00 0.00 175.35 175.52 1g1s s LYS 113 N 0.32 1.41 0.28 1.68 1.02 -0.09 -4.68 119.74 119.68 1g1s s LYS 113 Ca 0.11 -1.51 -0.26 0.00 0.02 0.00 0.00 55.97 54.32 1g1s s LYS 113 Cb -0.12 0.36 -0.09 0.00 -0.52 0.00 0.00 37.83 37.46 1g1s s LYS 113 CO -0.00 -0.53 0.91 -1.01 -0.92 0.00 0.00 175.35 173.80 1g1s s HIS 114 N -3.99 3.78 0.22 3.18 3.76 -0.79 -0.56 115.29 120.89 1g1s s HIS 114 Ca 0.32 1.77 -0.30 0.00 -0.15 0.00 0.00 55.06 56.70 1g1s s HIS 114 Cb 0.03 -2.90 -0.08 0.00 1.11 0.00 0.00 32.58 30.74 1g1s s HIS 114 CO 0.12 0.30 0.95 0.00 -0.85 0.00 0.00 174.74 175.26 1g1s s ALA 115 N -1.47 3.33 -0.26 -1.40 0.00 -1.26 -0.94 121.76 119.75 1g1s s ALA 115 Ca 0.46 0.62 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1g1s s ALA 115 Cb -0.21 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.75 1g1s s ALA 115 CO 0.26 0.15 -0.07 -1.17 0.00 0.00 0.00 175.76 174.93 1g1s s LEU 116 N -0.97 3.19 0.51 0.00 2.96 -1.21 -1.88 118.68 121.28 1g1s s LEU 116 Ca 0.42 -1.38 0.02 0.00 -0.22 0.00 0.00 54.13 52.97 1g1s s LEU 116 Cb -0.26 -1.40 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 1g1s s LEU 116 CO 0.32 -0.23 0.08 0.00 -1.32 0.00 0.00 176.35 175.20 1g1s s TYR 118 N -2.85 0.21 0.05 0.00 1.13 -0.84 -1.27 117.35 113.78 1g1s s TYR 118 Ca 0.12 -0.59 0.00 0.00 -1.41 0.00 0.00 57.07 55.19 1g1s s TYR 118 Cb 0.01 0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.85 1g1s s TYR 118 CO 0.07 -0.67 -0.04 0.95 -2.51 0.00 0.00 175.55 173.34 1g1s s THR 119 N -3.91 0.30 0.41 -3.49 -4.23 -0.63 -1.50 115.64 102.59 1g1s s THR 119 Ca 0.11 -1.55 -0.25 0.00 -1.18 0.00 0.00 61.69 58.82 1g1s s THR 119 Cb 0.03 -1.16 -0.08 0.00 1.34 0.00 0.00 72.50 72.63 1g1s s THR 119 CO -0.05 -0.80 1.15 0.00 -0.54 0.00 0.00 174.62 174.37 1g1s s ALA 120 N -3.05 3.12 0.01 3.99 0.00 -1.26 -1.39 121.76 123.18 1g1s s ALA 120 Ca 0.01 0.91 -0.00 0.00 0.00 0.00 0.00 51.96 52.88 1g1s s ALA 120 Cb 0.02 -3.36 -0.26 0.00 0.00 0.00 0.00 23.12 19.51 1g1s s ALA 120 CO -0.06 -0.49 0.86 0.77 0.00 0.00 0.00 175.76 176.84 1g1s h SER 121 N 2.55 0.30 -3.76 0.00 0.02 -1.87 -3.43 113.55 107.36 1g1s h SER 121 Ca -0.49 -0.44 -0.53 0.00 -0.84 0.00 0.00 61.79 59.49 1g1s h SER 121 Cb 1.23 -0.10 0.09 0.00 0.14 0.00 0.00 62.40 63.76 1g1s h SER 121 CO 0.62 1.37 0.77 0.00 -1.14 0.00 0.00 176.83 178.45 1g1s s GLN 123 N -1.56 2.18 0.20 0.00 -1.52 -1.26 -5.02 119.66 112.68 1g1s s GLN 123 Ca 0.55 -2.07 -0.09 0.00 -1.95 0.00 0.00 55.36 51.80 1g1s s GLN 123 Cb -0.45 -1.83 0.13 0.00 -0.22 0.00 0.00 33.01 30.64 1g1s s GLN 123 CO 0.56 -0.27 1.75 0.22 -0.25 0.00 0.00 175.29 177.30 1g1s h ASP 124 N 1.33 1.05 -0.41 5.90 3.58 -2.03 -2.64 116.42 123.21 1g1s h ASP 124 Ca -0.42 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 56.83 1g1s h ASP 124 Cb 1.28 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1g1s h ASP 124 CO 0.71 0.97 0.00 0.23 -2.88 0.00 0.00 179.24 178.26 1g1s n MET 125 N -4.29 2.12 -2.03 0.28 0.00 -1.26 -4.73 117.12 107.21 1g1s n MET 125 Ca 0.06 -1.55 -0.37 0.00 0.00 0.00 0.00 57.70 55.83 1g1s n MET 125 Cb 0.21 -1.40 0.02 0.00 0.00 0.00 0.00 33.22 32.06 1g1s n MET 125 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1g1s s SER 126 N -0.94 5.58 -1.89 7.83 0.01 -1.00 -2.52 113.70 120.78 1g1s s SER 126 Ca 0.29 2.48 0.00 0.00 1.31 0.00 0.00 55.95 60.02 1g1s s SER 126 Cb 0.16 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1g1s s SER 126 CO 0.18 -1.34 0.00 0.00 0.41 0.00 0.00 173.24 172.50 1g1s n SER 128 N -1.60 -2.96 -2.11 0.00 7.64 -1.05 0.39 113.62 113.95 1g1s n SER 128 Ca -0.21 0.25 -0.13 0.00 1.01 0.00 0.00 58.87 59.78 1g1s n SER 128 Cb 0.66 -2.69 -0.02 0.00 -1.01 0.00 0.00 64.21 61.15 1g1s n SER 128 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1g1s n LYS 129 N -2.23 -1.89 -0.14 1.43 5.02 -1.07 -4.76 118.16 114.52 1g1s n LYS 129 Ca -0.11 0.69 0.08 0.00 -2.02 0.00 0.00 58.31 56.95 1g1s n LYS 129 Cb 0.46 -5.18 0.11 0.00 -0.02 0.00 0.00 35.03 30.40 1g1s n LYS 129 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1g1s n GLN 130 N -2.53 1.15 -3.86 1.97 6.02 0.16 -5.04 117.38 115.26 1g1s n GLN 130 Ca -0.15 -2.24 -0.03 0.00 -0.01 0.00 0.00 57.00 54.57 1g1s n GLN 130 Cb 0.56 -1.30 0.01 0.00 1.02 0.00 0.00 30.24 30.53 1g1s n GLN 130 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1g1s s GLY 131 N -2.45 0.03 -0.17 1.08 0.00 -1.16 -1.24 107.32 103.41 1g1s s GLY 131 Ca 0.25 -0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.68 1g1s s GLY 131 CO 0.02 2.07 0.09 1.85 0.00 0.00 0.00 173.10 177.14 1g1s s GLU 132 N -2.35 3.93 -0.13 2.90 2.12 0.88 -4.86 118.70 121.19 1g1s s GLU 132 Ca 0.20 -0.27 -0.25 0.00 0.36 0.00 0.00 54.97 55.01 1g1s s GLU 132 Cb -0.02 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 1g1s s GLU 132 CO 0.04 0.38 0.80 0.00 -0.54 0.00 0.00 175.26 175.94 1g1s s LEU 134 N 1.72 2.94 0.28 0.00 1.43 0.13 -4.95 118.68 120.24 1g1s s LEU 134 Ca 0.39 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 1g1s s LEU 134 Cb -0.17 -1.73 -0.10 0.00 0.03 0.00 0.00 46.19 44.22 1g1s s LEU 134 CO 0.15 0.04 1.28 -1.61 0.23 0.00 0.00 176.35 176.43 1g1s s GLU 135 N 1.14 4.41 0.41 1.70 0.41 -1.26 -0.67 118.70 124.85 1g1s s GLU 135 Ca 0.02 2.11 0.03 0.00 -0.41 0.00 0.00 54.97 56.72 1g1s s GLU 135 Cb -0.15 -3.13 -0.03 0.00 -1.78 0.00 0.00 34.13 29.05 1g1s s GLU 135 CO -0.01 -0.15 0.11 0.95 -0.49 0.00 0.00 175.26 175.67 1g1s s THR 136 N -0.76 0.73 -0.60 3.63 -4.23 -0.44 -4.79 115.64 109.19 1g1s s THR 136 Ca 0.51 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.75 1g1s s THR 136 Cb -0.38 -2.37 -0.00 0.00 1.34 0.00 0.00 72.50 71.09 1g1s s THR 136 CO 0.46 0.00 1.66 -0.63 -0.54 0.00 0.00 174.62 175.57 1g1s s ILE 137 N -3.17 3.52 0.00 2.99 1.01 -1.26 -0.28 121.20 124.01 1g1s s ILE 137 Ca 0.23 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.24 1g1s s ILE 137 Cb 0.03 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1g1s s ILE 137 CO 0.13 -1.09 0.00 0.61 0.00 0.00 0.00 174.94 174.59 1g1s n GLY 138 N 5.53 0.86 0.00 6.18 0.00 0.50 -4.92 105.19 113.33 1g1s n GLY 138 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1g1s n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1g1s n ASN 139 N 0.00 0.00 -3.73 1.61 2.85 -1.15 -4.71 115.26 110.13 1g1s n ASN 139 Ca 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.38 1g1s n ASN 139 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 1g1s n ASN 139 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1g1s s TYR 140 N -1.12 -0.17 0.11 1.20 1.13 -1.26 -1.25 117.35 116.00 1g1s s TYR 140 Ca 0.00 -0.18 0.03 0.00 -1.41 0.00 0.00 57.07 55.51 1g1s s TYR 140 Cb 0.00 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 1g1s s TYR 140 CO 0.00 -0.98 -0.09 0.95 -2.51 0.00 0.00 175.55 172.93 1g1s s THR 141 N -3.87 0.91 -0.19 -3.49 -4.23 0.16 -4.86 115.64 100.07 1g1s s THR 141 Ca 0.09 -1.85 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 1g1s s THR 141 Cb -0.02 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 1g1s s THR 141 CO -0.02 -0.72 -0.02 0.00 -0.54 0.00 0.00 174.62 173.33 1g1s s SER 143 N 0.91 6.05 0.47 0.00 0.15 0.38 -4.91 113.70 116.75 1g1s s SER 143 Ca 0.00 -1.53 -0.22 0.00 0.70 0.00 0.00 55.95 54.90 1g1s s SER 143 Cb -0.14 -2.15 -0.08 0.00 -1.71 0.00 0.00 66.02 61.94 1g1s s SER 143 CO 0.01 -0.70 1.09 0.00 1.20 0.00 0.00 173.24 174.85 1g1s s TYR 145 N -1.75 3.27 0.26 0.00 2.02 -0.37 -4.87 117.35 115.91 1g1s s TYR 145 Ca 0.65 1.42 -0.30 0.00 -0.37 0.00 0.00 57.07 58.47 1g1s s TYR 145 Cb -0.22 -2.85 -0.14 0.00 -0.40 0.00 0.00 41.96 38.34 1g1s s TYR 145 CO 0.27 -0.92 1.25 -2.30 -1.57 0.00 0.00 175.55 172.28 1g1s n PRO 146 N -2.51 1.74 -0.46 -1.71 -0.02 -1.26 -1.95 135.00 128.83 1g1s n PRO 146 Ca 0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1g1s n PRO 146 Cb 0.54 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1g1s n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g1s n GLY 147 N 1.63 0.75 3.09 -1.23 0.00 -1.26 -5.05 105.19 103.11 1g1s n GLY 147 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 1g1s n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g1s s PHE 148 N -2.58 0.78 0.28 1.61 0.08 -0.82 -1.74 117.98 115.60 1g1s s PHE 148 Ca 0.00 -0.54 -0.16 0.00 0.12 0.00 0.00 56.93 56.35 1g1s s PHE 148 Cb 0.00 -0.46 0.01 0.00 -0.57 0.00 0.00 43.02 42.00 1g1s s PHE 148 CO 0.00 -0.07 0.62 1.52 -0.10 0.00 0.00 175.22 177.19 1g1s s TYR 149 N -1.61 0.14 0.00 0.36 1.13 0.10 -4.63 117.35 112.83 1g1s s TYR 149 Ca -0.06 -0.57 0.00 0.00 -1.41 0.00 0.00 57.07 55.03 1g1s s TYR 149 Cb -0.08 0.47 0.00 0.00 -1.10 0.00 0.00 41.96 41.24 1g1s s TYR 149 CO 0.00 -1.17 0.00 0.41 -2.51 0.00 0.00 175.55 172.28 1g1s n GLY 150 N -0.44 2.80 0.33 5.49 0.00 -1.26 -0.92 105.19 111.18 1g1s n GLY 150 Ca -0.03 -2.01 0.17 0.00 0.00 0.00 0.00 46.02 44.14 1g1s n GLY 150 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g1s h PRO 151 N 0.00 0.00 0.00 1.61 0.13 -2.01 -1.41 132.00 130.32 1g1s h PRO 151 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1g1s h PRO 151 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1g1s h PRO 151 CO 0.00 0.00 -0.37 0.39 -0.23 0.00 0.00 178.00 177.79 1g1s n GLU 152 N -3.85 1.07 -2.72 0.86 -0.58 -1.26 -4.49 120.64 109.67 1g1s n GLU 152 Ca 0.01 -2.56 -0.16 0.00 -0.42 0.00 0.00 57.16 54.03 1g1s n GLU 152 Cb 0.29 -1.23 -0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1g1s n GLU 152 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g1s n GLU 154 N -3.15 0.25 -3.91 0.00 0.00 -1.13 -4.44 120.64 108.27 1g1s n GLU 154 Ca -0.11 0.21 -0.34 0.00 0.00 0.00 0.00 57.16 56.91 1g1s n GLU 154 Cb 0.60 -1.79 -0.05 0.00 0.00 0.00 0.00 31.44 30.20 1g1s n GLU 154 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1g1s s TYR 155 N -3.10 3.55 -0.11 -1.84 2.02 -0.10 -4.95 117.35 112.82 1g1s s TYR 155 Ca 0.11 0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 57.15 1g1s s TYR 155 Cb 0.13 -1.84 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1g1s s TYR 155 CO 0.60 0.65 -0.03 0.08 -1.57 0.00 0.00 175.55 175.28 1g1s s VAL 156 N -1.30 4.04 -2.84 0.71 1.01 -1.26 -0.73 120.40 120.04 1g1s s VAL 156 Ca 0.26 -0.33 0.25 0.00 0.00 0.00 0.00 61.98 62.16 1g1s s VAL 156 Cb -0.13 -2.72 0.31 0.00 0.00 0.00 0.00 36.38 33.84 1g1s s VAL 156 CO 0.17 0.55 1.42 -2.11 0.00 0.00 0.00 175.10 175.14