#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 4.21 0.12 -0.99 2.01 0.18 -1.04 115.64 120.13 1g1s s THR 2 Ca 0.00 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.76 1g1s s THR 2 Cb 0.00 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1g1s s THR 2 CO 0.00 0.49 0.27 -0.31 -0.69 0.00 0.00 174.62 174.38 1g1s s TYR 3 N 0.32 3.50 0.06 4.92 2.02 -1.26 -1.27 117.35 125.63 1g1s s TYR 3 Ca -0.01 0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 56.80 1g1s s TYR 3 Cb -0.13 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.69 1g1s s TYR 3 CO 0.02 0.53 0.24 -1.01 -1.57 0.00 0.00 175.55 173.75 1g1s s HIS 4 N -1.66 0.02 0.04 2.71 3.76 -0.24 -4.96 115.29 114.97 1g1s s HIS 4 Ca 0.35 -0.29 -0.07 0.00 -0.15 0.00 0.00 55.06 54.90 1g1s s HIS 4 Cb -0.12 0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.58 1g1s s HIS 4 CO 0.28 -0.51 0.14 1.52 -0.85 0.00 0.00 174.74 175.32 1g1s s TYR 5 N -3.06 0.15 0.20 1.40 1.13 -1.26 -0.03 117.35 115.88 1g1s s TYR 5 Ca -0.01 -0.42 -0.20 0.00 -1.41 0.00 0.00 57.07 55.03 1g1s s TYR 5 Cb 0.01 -0.10 -0.08 0.00 -1.10 0.00 0.00 41.96 40.69 1g1s s TYR 5 CO -0.07 -0.39 0.70 -1.54 -2.51 0.00 0.00 175.55 171.74 1g1s s SER 6 N -2.13 7.07 0.35 -0.18 1.04 -0.72 -4.96 113.70 114.16 1g1s s SER 6 Ca -0.05 1.40 0.20 0.00 0.48 0.00 0.00 55.95 57.98 1g1s s SER 6 Cb -0.01 -2.41 0.20 0.00 0.10 0.00 0.00 66.02 63.90 1g1s s SER 6 CO -0.05 0.07 1.48 0.71 0.98 0.00 0.00 173.24 176.44 1g1s h THR 7 N 2.85 0.34 -2.08 2.02 1.35 -2.00 -3.41 112.91 111.98 1g1s h THR 7 Ca -0.48 -1.49 -0.47 0.00 -0.55 0.00 0.00 66.41 63.43 1g1s h THR 7 Cb 1.20 2.13 -0.02 0.00 -1.73 0.00 0.00 68.15 69.72 1g1s h THR 7 CO 0.65 0.19 -0.44 -0.54 -0.25 0.00 0.00 175.52 175.14 1g1s s LYS 8 N -3.12 3.19 -0.12 4.72 1.02 -1.26 -5.06 119.74 119.11 1g1s s LYS 8 Ca 0.05 -0.93 -0.05 0.00 0.02 0.00 0.00 55.97 55.06 1g1s s LYS 8 Cb 0.06 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1g1s s LYS 8 CO 0.71 0.32 0.07 0.00 -0.92 0.00 0.00 175.35 175.53 1g1s s ALA 9 N -2.08 3.55 0.29 5.17 0.00 -1.26 -4.48 121.76 122.94 1g1s s ALA 9 Ca 0.37 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1g1s s ALA 9 Cb -0.09 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 1g1s s ALA 9 CO 0.28 0.53 0.10 0.71 0.00 0.00 0.00 175.76 177.38 1g1s s TYR 10 N -0.72 1.65 1.05 0.00 2.02 0.18 -4.64 117.35 116.89 1g1s s TYR 10 Ca 0.12 -1.17 -0.12 0.00 -0.37 0.00 0.00 57.07 55.52 1g1s s TYR 10 Cb -0.12 -0.99 0.22 0.00 -0.40 0.00 0.00 41.96 40.68 1g1s s TYR 10 CO 0.03 -0.29 1.07 -1.54 -1.57 0.00 0.00 175.55 173.24 1g1s s SER 11 N -3.38 2.01 0.16 2.29 1.04 -1.26 -0.74 113.70 113.84 1g1s s SER 11 Ca 0.36 1.41 -0.15 0.00 0.48 0.00 0.00 55.95 58.06 1g1s s SER 11 Cb 0.07 -2.12 0.04 0.00 0.10 0.00 0.00 66.02 64.11 1g1s s SER 11 CO 0.15 -3.54 1.81 -0.25 0.98 0.00 0.00 173.24 172.38 1g1s h TRP 12 N -2.17 0.60 -0.34 5.02 7.01 -1.53 0.11 115.95 124.66 1g1s h TRP 12 Ca -0.56 0.01 0.02 0.00 2.11 0.00 0.00 58.89 60.46 1g1s h TRP 12 Cb 1.32 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 28.16 1g1s h TRP 12 CO 0.31 0.40 0.19 -0.91 -2.79 0.00 0.00 178.44 175.64 1g1s h ASN 13 N 0.63 0.31 0.26 2.65 2.35 -1.92 0.85 115.58 120.71 1g1s h ASN 13 Ca 0.17 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.80 1g1s h ASN 13 Cb -0.04 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1g1s h ASN 13 CO -0.03 0.22 -0.48 0.40 -1.65 0.00 0.00 177.43 175.89 1g1s h ILE 14 N 0.39 1.34 -0.55 2.81 1.08 -1.88 -1.72 117.51 118.98 1g1s h ILE 14 Ca 0.14 -1.68 -0.05 0.00 -0.39 0.00 0.00 64.86 62.88 1g1s h ILE 14 Cb 0.01 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 1g1s h ILE 14 CO -0.07 0.50 0.17 0.28 -0.69 0.00 0.00 178.15 178.34 1g1s h SER 15 N 0.21 0.81 -0.51 1.72 0.02 -0.51 0.13 113.55 115.42 1g1s h SER 15 Ca 0.01 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 1g1s h SER 15 Cb 0.92 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 1g1s h SER 15 CO 0.08 0.81 0.15 -0.09 -1.14 0.00 0.00 176.83 176.63 1g1s h ARG 16 N 0.77 0.86 -0.40 3.45 2.43 -0.48 -2.20 114.38 118.81 1g1s h ARG 16 Ca 0.18 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1g1s h ARG 16 Cb 0.29 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1g1s h ARG 16 CO -0.00 0.76 -0.11 -0.22 -1.51 0.00 0.00 179.97 178.89 1g1s h LYS 17 N 0.83 0.70 -0.44 0.20 3.64 -0.77 -0.48 116.57 120.24 1g1s h LYS 17 Ca 0.18 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1g1s h LYS 17 Cb 0.28 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1g1s h LYS 17 CO -0.00 0.79 0.27 -0.92 -2.27 0.00 0.00 179.45 177.32 1g1s h TYR 18 N 0.64 0.57 -0.26 1.91 5.03 -0.33 0.17 116.97 124.70 1g1s h TYR 18 Ca 0.11 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.39 1g1s h TYR 18 Cb 0.55 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 1g1s h TYR 18 CO 0.03 0.39 0.02 0.00 -1.32 0.00 0.00 178.16 177.27 1g1s h GLN 20 N 0.24 0.00 0.08 0.00 4.20 -0.92 0.86 115.11 119.57 1g1s h GLN 20 Ca 0.08 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.53 1g1s h GLN 20 Cb 0.38 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.16 1g1s h GLN 20 CO 0.01 0.41 -1.12 -0.91 -0.67 0.00 0.00 178.83 176.55 1g1s h ASN 21 N 0.00 0.53 0.00 1.46 2.35 -0.54 -3.39 115.58 115.99 1g1s h ASN 21 Ca -0.00 -0.50 -0.19 0.00 -0.55 0.00 0.00 56.30 55.06 1g1s h ASN 21 Cb 0.78 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.94 1g1s h ASN 21 CO 0.05 1.33 -1.86 0.54 -1.65 0.00 0.00 177.43 175.85 1g1s n ARG 22 N -3.66 1.49 0.00 0.81 1.74 -0.78 -5.06 116.66 111.21 1g1s n ARG 22 Ca -0.09 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1g1s n ARG 22 Cb 0.94 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 31.04 1g1s n ARG 22 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1g1s n TYR 23 N -2.38 0.00 -0.10 -1.55 4.01 0.30 -5.07 117.16 112.36 1g1s n TYR 23 Ca -0.17 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.38 1g1s n TYR 23 Cb 0.80 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.77 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 1.37 -3.98 -0.72 -1.04 -0.50 -4.53 114.28 104.88 1g1s n THR 24 Ca 0.00 -0.14 0.02 0.00 -2.04 0.00 0.00 64.05 61.89 1g1s n THR 24 Cb 0.00 -1.98 0.01 0.00 -1.82 0.00 0.00 70.33 66.54 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 -6.68 0.01 0.49 8.00 -1.08 -1.22 -4.15 116.67 112.04 1g1s s ASP 25 Ca -0.30 -0.28 -0.22 0.00 -0.52 0.00 0.00 52.55 51.23 1g1s s ASP 25 Cb 0.09 0.20 -0.07 0.00 -1.46 0.00 0.00 42.92 41.69 1g1s s ASP 25 CO 0.40 -0.40 1.18 -0.76 0.52 0.00 0.00 175.17 176.11 1g1s s LEU 26 N -3.77 3.92 0.48 -1.34 1.43 -1.26 -1.92 118.68 116.22 1g1s s LEU 26 Ca 0.29 2.34 -0.24 0.00 -1.03 0.00 0.00 54.13 55.49 1g1s s LEU 26 Cb -0.01 -4.33 -0.07 0.00 0.03 0.00 0.00 46.19 41.81 1g1s s LEU 26 CO 0.00 -1.10 1.41 0.68 0.23 0.00 0.00 176.35 177.58 1g1s s VAL 27 N -1.56 2.06 -0.83 -1.59 -7.23 -0.16 -4.42 120.40 106.67 1g1s s VAL 27 Ca 0.67 0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.90 1g1s s VAL 27 Cb -0.29 -3.03 0.24 0.00 0.56 0.00 0.00 36.38 33.86 1g1s s VAL 27 CO 0.35 0.01 0.86 0.00 -0.31 0.00 0.00 175.10 176.00 1g1s n ALA 28 N -0.41 4.07 -1.51 1.32 0.00 -1.26 -0.58 120.51 122.15 1g1s n ALA 28 Ca 0.06 -4.68 -0.25 0.00 0.00 0.00 0.00 53.44 48.57 1g1s n ALA 28 Cb 0.43 -1.48 -0.20 0.00 0.00 0.00 0.00 19.45 18.20 1g1s n ALA 28 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1g1s n ILE 29 N 1.63 -0.00 -0.04 0.00 5.41 -1.26 -4.78 119.36 120.32 1g1s n ILE 29 Ca 0.25 -0.42 -0.15 0.00 1.00 0.00 0.00 62.75 63.42 1g1s n ILE 29 Cb 0.37 -0.29 -0.13 0.00 -0.71 0.00 0.00 39.64 38.89 1g1s n ILE 29 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1g1s h GLN 30 N 11.45 0.08 -4.81 0.38 4.15 -1.98 -3.49 115.11 120.89 1g1s h GLN 30 Ca 0.02 -0.13 -0.29 0.00 0.77 0.00 0.00 58.65 59.02 1g1s h GLN 30 Cb 1.15 0.05 -0.15 0.00 0.21 0.00 0.00 27.48 28.74 1g1s h GLN 30 CO 1.53 1.03 -0.67 0.54 -1.93 0.00 0.00 178.83 179.33 1g1s s ASN 31 N -6.37 1.26 0.39 -0.69 2.20 -1.26 -5.01 114.94 105.45 1g1s s ASN 31 Ca -0.17 -1.15 0.16 0.00 -0.94 0.00 0.00 52.86 50.76 1g1s s ASN 31 Cb -0.02 0.10 1.03 0.00 -2.00 0.00 0.00 41.25 40.37 1g1s s ASN 31 CO 0.73 -0.54 1.82 0.07 -2.94 0.00 0.00 177.10 176.23 1g1s h LYS 32 N 2.72 0.45 -0.62 3.55 5.09 -1.99 0.04 116.57 125.81 1g1s h LYS 32 Ca -0.37 -0.03 -0.08 0.00 0.09 0.00 0.00 60.65 60.27 1g1s h LYS 32 Cb 1.20 -0.10 -0.03 0.00 0.10 0.00 0.00 32.23 33.40 1g1s h LYS 32 CO 0.63 0.30 0.09 -0.91 -2.09 0.00 0.00 179.45 177.46 1g1s h ASN 33 N 0.46 0.97 -0.30 7.07 4.21 -1.99 0.12 115.58 126.12 1g1s h ASN 33 Ca 0.52 -0.23 -0.12 0.00 1.21 0.00 0.00 56.30 57.69 1g1s h ASN 33 Cb 1.23 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 38.16 1g1s h ASN 33 CO -0.24 0.98 -0.27 -0.08 -1.29 0.00 0.00 177.43 176.52 1g1s h GLU 34 N 0.95 0.72 -0.48 0.81 4.81 -1.44 -1.78 114.58 118.19 1g1s h GLU 34 Ca 0.19 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1g1s h GLU 34 Cb 0.43 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1g1s h GLU 34 CO 0.01 0.99 0.24 0.82 -0.73 0.00 0.00 179.01 180.34 1g1s h ILE 35 N 0.48 1.18 -0.54 2.32 2.04 -1.06 -0.05 117.51 121.87 1g1s h ILE 35 Ca 0.05 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1g1s h ILE 35 Cb 0.84 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1g1s h ILE 35 CO 0.07 0.20 0.35 0.44 0.00 0.00 0.00 178.15 179.21 1g1s h ASP 36 N 0.63 0.63 -0.19 1.72 3.32 -0.68 -0.01 116.42 121.84 1g1s h ASP 36 Ca 0.17 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1g1s h ASP 36 Cb 0.10 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1g1s h ASP 36 CO -0.02 0.47 0.07 0.22 -1.72 0.00 0.00 179.24 178.26 1g1s h TYR 37 N 0.74 0.29 -0.67 4.55 3.20 -1.03 -2.22 116.97 121.83 1g1s h TYR 37 Ca 0.20 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1g1s h TYR 37 Cb -0.06 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 1g1s h TYR 37 CO -0.03 0.35 0.14 -0.07 -1.64 0.00 0.00 178.16 176.90 1g1s h LEU 38 N 0.15 1.03 -1.75 2.82 3.38 -0.79 -0.59 115.31 119.58 1g1s h LEU 38 Ca 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1g1s h LEU 38 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1g1s h LEU 38 CO -0.00 1.01 -0.07 -1.13 0.09 0.00 0.00 178.44 178.34 1g1s h ASN 39 N 1.02 0.06 0.07 -0.43 -1.24 -0.91 -1.63 115.58 112.52 1g1s h ASN 39 Ca 0.21 -0.01 -0.12 0.00 0.71 0.00 0.00 56.30 57.10 1g1s h ASN 39 Cb 0.40 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.44 1g1s h ASN 39 CO 0.01 0.15 -0.50 0.50 -1.29 0.00 0.00 177.43 176.30 1g1s h LYS 40 N 0.07 0.21 0.00 6.67 3.64 -0.74 -3.40 116.57 123.02 1g1s h LYS 40 Ca 0.02 -0.32 -0.19 0.00 -1.27 0.00 0.00 60.65 58.89 1g1s h LYS 40 Cb 0.17 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1g1s h LYS 40 CO 0.01 1.12 -1.16 -0.39 -2.27 0.00 0.00 179.45 176.76 1g1s h VAL 41 N -0.54 0.95 -3.86 2.00 -1.51 -1.00 -3.47 116.25 108.82 1g1s h VAL 41 Ca -0.08 -2.54 -0.49 0.00 -1.23 0.00 0.00 66.70 62.36 1g1s h VAL 41 Cb 1.35 2.41 0.00 0.00 -2.13 0.00 0.00 31.29 32.92 1g1s h VAL 41 CO 0.09 0.54 0.40 -0.76 -1.23 0.00 0.00 177.57 176.62 1g1s s LEU 42 N -6.23 4.40 0.61 4.19 1.43 -0.63 -5.04 118.68 117.41 1g1s s LEU 42 Ca -0.01 2.03 -0.14 0.00 -1.03 0.00 0.00 54.13 54.98 1g1s s LEU 42 Cb 0.09 -3.89 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 1g1s s LEU 42 CO 0.80 -0.16 1.05 -2.16 0.23 0.00 0.00 176.35 176.11 1g1s s PRO 43 N -1.85 3.32 0.12 1.29 0.04 -1.26 -4.89 135.00 131.76 1g1s s PRO 43 Ca 0.49 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 1g1s s PRO 43 Cb -0.24 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 1g1s s PRO 43 CO 0.31 -0.80 1.06 -0.47 0.04 0.00 0.00 177.00 177.13 1g1s s TYR 44 N -2.65 3.65 -0.03 0.56 5.04 -1.26 -4.95 117.35 117.71 1g1s s TYR 44 Ca 0.61 1.63 0.01 0.00 -2.44 0.00 0.00 57.07 56.88 1g1s s TYR 44 Cb -0.14 -3.21 0.02 0.00 0.35 0.00 0.00 41.96 38.98 1g1s s TYR 44 CO 0.41 -0.37 -0.02 0.71 -1.34 0.00 0.00 175.55 174.94 1g1s s TYR 45 N 0.19 0.41 0.48 4.97 2.02 -1.26 -5.05 117.35 119.11 1g1s s TYR 45 Ca 0.50 -0.05 0.32 0.00 -0.37 0.00 0.00 57.07 57.47 1g1s s TYR 45 Cb -0.26 -0.42 1.72 0.00 -0.40 0.00 0.00 41.96 42.60 1g1s s TYR 45 CO 0.32 -0.11 2.17 0.66 -1.57 0.00 0.00 175.55 177.01 1g1s h SER 46 N 6.98 0.00 0.67 2.29 4.64 -1.96 0.28 113.55 126.45 1g1s h SER 46 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1g1s h SER 46 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1g1s h SER 46 CO 0.48 0.06 -0.27 -1.54 -0.87 0.00 0.00 176.83 174.69 1g1s n SER 47 N -3.55 0.32 0.00 4.97 3.41 -1.26 -5.04 113.62 112.48 1g1s n SER 47 Ca -0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1g1s n SER 47 Cb 0.17 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.43 -0.77 -4.32 7.33 4.01 0.08 -4.64 117.16 117.42 1g1s n TYR 48 Ca 0.07 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.62 1g1s n TYR 48 Cb 0.33 0.17 -0.13 0.00 -0.31 0.00 0.00 39.34 39.40 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 1.11 0.16 -0.72 1.51 -1.22 -1.71 117.35 116.48 1g1s s TYR 49 Ca 0.00 -0.34 -0.22 0.00 -1.01 0.00 0.00 57.07 55.50 1g1s s TYR 49 Cb 0.00 -0.66 -0.08 0.00 -0.11 0.00 0.00 41.96 41.11 1g1s s TYR 49 CO 0.00 0.02 0.70 -1.58 -1.11 0.00 0.00 175.55 173.58 1g1s s TRP 50 N -0.82 3.78 0.35 2.71 0.23 -0.28 -0.48 118.94 124.44 1g1s s TRP 50 Ca 0.01 1.44 0.06 0.00 -2.03 0.00 0.00 56.10 55.58 1g1s s TRP 50 Cb -0.07 -2.64 -0.07 0.00 0.03 0.00 0.00 33.47 30.72 1g1s s TRP 50 CO 0.01 0.47 -0.00 0.96 0.96 0.00 0.00 176.95 179.34 1g1s s ILE 51 N -1.29 1.73 -0.11 2.03 -4.36 -0.73 -3.26 121.20 115.21 1g1s s ILE 51 Ca 0.37 -2.05 -0.05 0.00 -0.26 0.00 0.00 60.65 58.66 1g1s s ILE 51 Cb -0.20 -2.79 -0.19 0.00 1.25 0.00 0.00 42.46 40.53 1g1s s ILE 51 CO 0.22 -0.08 2.86 0.61 0.24 0.00 0.00 174.94 178.79 1g1s n GLY 52 N -0.79 2.63 2.98 6.27 0.00 0.25 -4.58 105.19 111.96 1g1s n GLY 52 Ca -0.04 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 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 1.59 0.83 -0.02 -0.61 1.01 -1.26 -1.31 121.20 121.43 1g1s s ILE 53 Ca 0.52 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.72 1g1s s ILE 53 Cb 0.24 -0.77 0.02 0.00 0.01 0.00 0.00 42.46 41.95 1g1s s ILE 53 CO -0.00 0.27 0.24 -0.60 0.00 0.00 0.00 174.94 174.85 1g1s s ARG 54 N 0.53 0.55 -0.22 2.79 3.52 -0.62 -2.48 118.95 123.00 1g1s s ARG 54 Ca -0.09 -0.18 -0.26 0.00 -0.13 0.00 0.00 55.73 55.07 1g1s s ARG 54 Cb -0.12 0.24 -0.00 0.00 -1.56 0.00 0.00 34.95 33.50 1g1s s ARG 54 CO 0.01 -0.14 0.87 0.21 -0.81 0.00 0.00 175.30 175.45 1g1s s LYS 55 N -1.12 4.23 -0.42 5.12 2.20 0.12 -1.17 119.74 128.70 1g1s s LYS 55 Ca -0.12 1.04 -0.14 0.00 -0.36 0.00 0.00 55.97 56.39 1g1s s LYS 55 Cb -0.06 -3.63 0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1g1s s LYS 55 CO 0.03 -0.49 0.30 1.21 -0.36 0.00 0.00 175.35 176.04 1g1s s ASN 56 N 1.27 6.05 0.17 1.43 3.84 0.19 -4.81 114.94 123.07 1g1s s ASN 56 Ca 0.37 -1.00 0.00 0.00 0.21 0.00 0.00 52.86 52.44 1g1s s ASN 56 Cb -0.16 -2.14 0.00 0.00 -0.55 0.00 0.00 41.25 38.40 1g1s s ASN 56 CO 0.08 -0.48 0.00 0.59 -2.79 0.00 0.00 177.10 174.51 1g1s n ASN 57 N 5.14 0.00 0.00 -4.21 3.02 -1.26 -0.63 115.26 117.32 1g1s n ASN 57 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1g1s n ASN 57 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 0.00 0.32 -3.74 3.52 0.00 -1.26 -5.05 118.16 111.94 1g1s n LYS 58 Ca 0.00 -0.54 -0.37 0.00 -0.00 0.00 0.00 58.31 57.41 1g1s n LYS 58 Cb 0.00 -0.57 -0.12 0.00 -0.00 0.00 0.00 35.03 34.35 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 -0.11 4.72 0.13 0.58 2.01 0.20 -5.06 115.64 118.10 1g1s s THR 59 Ca 0.00 -0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.65 1g1s s THR 59 Cb 0.00 -3.21 -0.08 0.00 0.01 0.00 0.00 72.50 69.22 1g1s s THR 59 CO 0.00 0.33 1.36 0.26 -0.69 0.00 0.00 174.62 175.88 1g1s s TRP 60 N 1.45 3.25 -0.01 4.92 0.52 -1.26 -0.64 118.94 127.18 1g1s s TRP 60 Ca 0.06 1.03 0.02 0.00 0.02 0.00 0.00 56.10 57.23 1g1s s TRP 60 Cb -0.15 -3.65 -0.00 0.00 -1.15 0.00 0.00 33.47 28.51 1g1s s TRP 60 CO 0.05 -2.23 -0.07 0.99 0.02 0.00 0.00 176.95 175.72 1g1s s THR 61 N 0.87 0.52 -0.05 2.01 2.01 -0.32 -0.09 115.64 120.59 1g1s s THR 61 Ca 0.62 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 1g1s s THR 61 Cb -0.36 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1g1s s THR 61 CO 0.32 0.15 1.37 0.26 -0.69 0.00 0.00 174.62 176.02 1g1s s TRP 62 N -0.15 2.82 -0.11 4.92 0.52 0.11 -1.59 118.94 125.45 1g1s s TRP 62 Ca 0.02 0.86 0.24 0.00 0.02 0.00 0.00 56.10 57.24 1g1s s TRP 62 Cb -0.03 -3.62 0.67 0.00 -1.15 0.00 0.00 33.47 29.34 1g1s s TRP 62 CO -0.00 -2.26 1.72 -0.39 0.02 0.00 0.00 176.95 176.04 1g1s h VAL 63 N 5.11 0.31 0.29 4.03 -1.51 -1.52 0.11 116.25 123.07 1g1s h VAL 63 Ca -0.35 -1.16 -0.01 0.00 -1.23 0.00 0.00 66.70 63.94 1g1s h VAL 63 Cb 1.16 1.91 0.00 0.00 -2.13 0.00 0.00 31.29 32.24 1g1s h VAL 63 CO 0.92 0.15 -0.14 1.23 -1.23 0.00 0.00 177.57 178.50 1g1s h GLY 64 N 2.96 -0.40 0.99 5.19 0.00 -1.91 -3.34 103.07 106.56 1g1s h GLY 64 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1g1s h GLY 64 CO 0.02 -0.15 -0.45 -1.30 0.00 0.00 0.00 176.54 174.66 1g1s n THR 65 N -5.05 0.00 -0.98 4.70 -2.24 -1.24 -4.93 114.28 104.53 1g1s n THR 65 Ca -0.08 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1g1s n THR 65 Cb 0.26 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.42 -1.37 -2.63 -0.78 4.76 0.38 -4.97 118.16 112.13 1g1s n LYS 66 Ca 0.06 0.34 -0.41 0.00 -2.87 0.00 0.00 58.31 55.44 1g1s n LYS 66 Cb 0.34 -4.41 -0.05 0.00 -1.84 0.00 0.00 35.03 29.07 1g1s n LYS 66 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1g1s s LYS 67 N -1.40 4.71 0.34 1.97 1.02 -1.23 -4.75 119.74 120.41 1g1s s LYS 67 Ca 0.00 1.60 -0.28 0.00 0.02 0.00 0.00 55.97 57.31 1g1s s LYS 67 Cb 0.00 -3.29 -0.10 0.00 -0.52 0.00 0.00 37.83 33.92 1g1s s LYS 67 CO 0.00 0.27 1.32 0.00 -0.92 0.00 0.00 175.35 176.02 1g1s s ALA 68 N -0.64 3.48 0.31 5.17 0.00 -1.26 -0.71 121.76 128.10 1g1s s ALA 68 Ca 0.45 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 53.40 1g1s s ALA 68 Cb -0.27 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.25 1g1s s ALA 68 CO 0.34 -0.69 1.55 -1.17 0.00 0.00 0.00 175.76 175.79 1g1s s LEU 69 N -1.89 4.34 0.30 0.00 2.96 0.87 -4.83 118.68 120.44 1g1s s LEU 69 Ca 0.50 2.95 0.06 0.00 -0.22 0.00 0.00 54.13 57.43 1g1s s LEU 69 Cb -0.40 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.62 1g1s s LEU 69 CO 0.53 -0.89 0.36 0.42 -1.32 0.00 0.00 176.35 175.46 1g1s s THR 70 N -0.29 4.32 0.64 3.68 -4.23 -1.26 -4.91 115.64 113.59 1g1s s THR 70 Ca 0.60 -1.13 0.37 0.00 -1.18 0.00 0.00 61.69 60.35 1g1s s THR 70 Cb -0.47 -3.48 0.39 0.00 1.34 0.00 0.00 72.50 70.28 1g1s s THR 70 CO 0.51 -0.23 2.23 -0.55 -0.54 0.00 0.00 174.62 176.05 1g1s h ASN 71 N 1.13 0.00 1.18 3.99 7.08 -2.01 -1.65 115.58 125.29 1g1s h ASN 71 Ca -0.48 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 52.64 1g1s h ASN 71 Cb 1.25 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.47 1g1s h ASN 71 CO 0.57 0.00 -0.87 1.05 -2.08 0.00 0.00 177.43 176.11 1g1s h GLU 72 N 0.00 0.00 0.00 4.14 4.11 -2.01 -3.36 114.58 117.46 1g1s h GLU 72 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1g1s h GLU 72 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1g1s h GLU 72 CO -0.00 0.33 -0.69 0.00 0.07 0.00 0.00 179.01 178.71 1g1s h ALA 73 N 1.57 0.56 -1.83 1.06 0.00 -1.69 -3.48 119.26 115.45 1g1s h ALA 73 Ca -0.06 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.18 1g1s h ALA 73 Cb 1.39 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.22 1g1s h ALA 73 CO 0.05 0.00 0.74 -1.91 0.00 0.00 0.00 179.25 178.12 1g1s n GLU 74 N -2.21 1.52 -1.64 0.00 0.00 -1.21 -4.90 120.64 112.21 1g1s n GLU 74 Ca 0.03 0.55 0.01 0.00 0.00 0.00 0.00 57.16 57.75 1g1s n GLU 74 Cb 0.46 -2.27 0.07 0.00 0.00 0.00 0.00 31.44 29.70 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 4.04 1.69 -4.77 4.31 5.15 -1.26 -5.11 115.26 119.31 1g1s n ASN 75 Ca 0.21 -2.61 -0.40 0.00 -0.60 0.00 0.00 54.58 51.18 1g1s n ASN 75 Cb 0.21 -0.39 -0.00 0.00 -0.53 0.00 0.00 39.78 39.06 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 -1.91 2.77 0.92 1.20 0.52 -1.26 -0.74 118.94 120.44 1g1s s TRP 76 Ca 0.35 1.34 -0.12 0.00 0.02 0.00 0.00 56.10 57.70 1g1s s TRP 76 Cb 0.37 -3.78 0.14 0.00 -1.15 0.00 0.00 33.47 29.05 1g1s s TRP 76 CO -0.10 -2.35 1.09 0.00 0.02 0.00 0.00 176.95 175.61 1g1s s ALA 77 N -1.20 1.40 0.36 0.98 0.00 0.46 -4.66 121.76 119.10 1g1s s ALA 77 Ca 0.55 -0.06 -0.28 0.00 0.00 0.00 0.00 51.96 52.16 1g1s s ALA 77 Cb -0.41 -3.20 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 1g1s s ALA 77 CO 0.54 -2.48 1.40 -0.25 0.00 0.00 0.00 175.76 174.97 1g1s n ASP 78 N -3.97 3.31 -1.28 0.00 8.00 -1.26 -2.08 116.55 119.27 1g1s n ASP 78 Ca 0.07 1.22 -0.17 0.00 0.71 0.00 0.00 54.79 56.62 1g1s n ASP 78 Cb 0.55 -1.55 -0.07 0.00 -0.02 0.00 0.00 41.12 40.03 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 0.68 -4.99 -4.32 -2.24 5.03 -1.26 -5.00 115.26 103.16 1g1s n ASN 79 Ca 0.03 0.41 -0.23 0.00 0.87 0.00 0.00 54.58 55.66 1g1s n ASN 79 Cb 0.37 -3.95 -0.12 0.00 -1.02 0.00 0.00 39.78 35.06 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 -3.42 1.24 0.09 3.52 0.41 -0.88 -3.97 118.70 115.70 1g1s s GLU 80 Ca 0.00 -1.33 -0.30 0.00 -0.41 0.00 0.00 54.97 52.93 1g1s s GLU 80 Cb 0.00 -1.40 -0.06 0.00 -1.78 0.00 0.00 34.13 30.89 1g1s s GLU 80 CO 0.00 0.30 1.13 -1.25 -0.49 0.00 0.00 175.26 174.95 1g1s s PRO 81 N -2.46 4.51 0.00 0.39 0.04 -1.26 -4.64 135.00 131.58 1g1s s PRO 81 Ca 0.13 1.69 0.14 0.00 0.04 0.00 0.00 61.00 63.01 1g1s s PRO 81 Cb -0.07 -3.34 0.16 0.00 0.04 0.00 0.00 34.50 31.29 1g1s s PRO 81 CO 0.06 -0.10 1.02 0.27 0.04 0.00 0.00 177.00 178.29 1g1s n ASN 82 N 3.35 2.38 -3.98 6.66 0.23 -1.25 -4.99 115.26 117.66 1g1s n ASN 82 Ca 0.06 -1.67 -0.28 0.00 -0.53 0.00 0.00 54.58 52.16 1g1s n ASN 82 Cb 0.47 -0.05 -0.08 0.00 -2.08 0.00 0.00 39.78 38.04 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 0.82 0.20 -0.26 0.53 4.05 -1.26 -4.83 115.26 114.51 1g1s n ASN 83 Ca 0.10 -1.03 -0.07 0.00 0.45 0.00 0.00 54.58 54.02 1g1s n ASN 83 Cb 0.38 -1.29 0.05 0.00 1.23 0.00 0.00 39.78 40.15 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 -1.12 1.14 -0.01 1.20 3.64 -1.94 -2.76 116.57 116.72 1g1s h LYS 84 Ca -0.52 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 58.58 1g1s h LYS 84 Cb 1.13 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1g1s h LYS 84 CO 0.62 1.01 -0.14 -2.13 -2.27 0.00 0.00 179.45 176.54 1g1s n ARG 85 N -4.23 0.93 0.00 1.90 0.63 -1.26 -5.03 116.66 109.60 1g1s n ARG 85 Ca 0.05 -0.44 0.00 0.00 -0.92 0.00 0.00 57.85 56.54 1g1s n ARG 85 Cb 0.26 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.68 1g1s n ARG 85 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1g1s n ASN 86 N -0.65 0.00 -3.17 6.15 3.02 -1.04 -4.91 115.26 114.66 1g1s n ASN 86 Ca 0.15 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.48 1g1s n ASN 86 Cb 0.31 0.92 0.01 0.00 -0.61 0.00 0.00 39.78 40.41 1g1s n ASN 86 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1g1s n ASN 87 N -1.47 -4.84 -4.49 6.41 4.13 -1.26 -4.82 115.26 108.92 1g1s n ASN 87 Ca 0.00 -0.32 -0.43 0.00 1.68 0.00 0.00 54.58 55.51 1g1s n ASN 87 Cb 0.00 -3.95 -0.02 0.00 -1.54 0.00 0.00 39.78 34.27 1g1s n ASN 87 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1g1s s GLU 88 N -5.83 3.79 0.00 3.52 2.02 -1.26 -4.19 118.70 116.75 1g1s s GLU 88 Ca 0.34 -1.91 0.19 0.00 0.02 0.00 0.00 54.97 53.61 1g1s s GLU 88 Cb -0.17 -5.13 0.32 0.00 0.10 0.00 0.00 34.13 29.26 1g1s s GLU 88 CO 0.42 -1.92 1.26 -0.25 0.02 0.00 0.00 175.26 174.79 1g1s n ASP 89 N 6.99 3.06 -4.37 -0.19 8.00 -1.13 -4.37 116.55 124.53 1g1s n ASP 89 Ca 0.33 -1.89 -0.24 0.00 0.71 0.00 0.00 54.79 53.69 1g1s n ASP 89 Cb 0.47 -0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.88 3.52 0.24 0.00 1.01 -1.04 -0.64 120.40 121.62 1g1s s VAL 91 Ca 0.18 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1g1s s VAL 91 Cb -0.07 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1g1s s VAL 91 CO 0.08 0.54 -0.00 -1.83 0.00 0.00 0.00 175.10 173.89 1g1s s GLU 92 N -0.09 2.33 -0.11 2.72 -1.05 -0.39 -1.77 118.70 120.34 1g1s s GLU 92 Ca 0.00 -1.32 0.03 0.00 -0.15 0.00 0.00 54.97 53.53 1g1s s GLU 92 Cb -0.13 -2.22 -0.00 0.00 -0.44 0.00 0.00 34.13 31.33 1g1s s GLU 92 CO 0.03 0.39 -0.21 -1.50 0.95 0.00 0.00 175.26 174.93 1g1s s ILE 93 N -2.12 2.35 -1.04 1.83 2.07 0.37 -2.01 121.20 122.65 1g1s s ILE 93 Ca 0.30 -0.91 -0.15 0.00 -1.41 0.00 0.00 60.65 58.48 1g1s s ILE 93 Cb -0.07 -1.93 -0.08 0.00 0.13 0.00 0.00 42.46 40.51 1g1s s ILE 93 CO 0.19 0.55 2.15 -1.22 -1.91 0.00 0.00 174.94 174.70 1g1s n TYR 94 N 3.56 2.11 -1.80 3.50 4.01 -0.04 -3.40 117.16 125.10 1g1s n TYR 94 Ca -0.19 -2.22 -0.42 0.00 -0.16 0.00 0.00 57.90 54.91 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 3.90 2.97 -1.49 -0.72 -1.09 -1.26 -0.53 121.20 122.98 1g1s s ILE 95 Ca 0.52 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 1g1s s ILE 95 Cb 0.14 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 1g1s s ILE 95 CO 0.02 -0.01 0.00 0.29 -1.23 0.00 0.00 174.94 174.00 1g1s n LYS 96 N 6.47 -1.89 -1.99 2.79 5.02 -1.26 -4.65 118.16 122.65 1g1s n LYS 96 Ca 0.18 0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 56.90 1g1s n LYS 96 Cb 0.40 -5.47 -0.02 0.00 -0.02 0.00 0.00 35.03 29.93 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 -2.06 6.61 0.32 4.39 0.15 -0.96 -4.87 113.70 117.27 1g1s s SER 97 Ca 0.00 2.78 0.25 0.00 0.70 0.00 0.00 55.95 59.68 1g1s s SER 97 Cb 0.00 -2.64 1.09 0.00 -1.71 0.00 0.00 66.02 62.76 1g1s s SER 97 CO 0.00 -0.69 1.76 1.55 1.20 0.00 0.00 173.24 177.06 1g1s h PRO 98 N 4.01 0.00 0.00 5.44 0.13 -1.92 -3.19 132.00 136.47 1g1s h PRO 98 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1g1s h PRO 98 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1g1s h PRO 98 CO 0.71 0.00 -1.12 -1.13 -0.23 0.00 0.00 178.00 176.23 1g1s n SER 99 N -2.39 4.50 -2.93 1.44 3.41 -1.26 -4.86 113.62 111.53 1g1s n SER 99 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.49 1g1s n SER 99 Cb 0.22 0.86 0.02 0.00 -0.26 0.00 0.00 64.21 65.05 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 -1.80 1.67 -1.64 7.33 0.00 -1.25 -5.10 120.51 119.72 1g1s n ALA 100 Ca -0.02 -2.75 -0.47 0.00 0.00 0.00 0.00 53.44 50.20 1g1s n ALA 100 Cb 0.28 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 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 0.14 1.76 -0.61 0.00 -0.04 -1.21 -2.04 135.00 133.00 1g1s n PRO 101 Ca 0.15 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1g1s n PRO 101 Cb 0.72 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 2.70 1.26 3.89 0.55 0.00 0.31 -4.95 105.19 108.95 1g1s n GLY 102 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.15 3.40 0.16 1.61 -0.14 -0.86 -4.63 119.74 119.12 1g1s s LYS 103 Ca 0.00 0.42 -0.03 0.00 -1.36 0.00 0.00 55.97 55.00 1g1s s LYS 103 Cb 0.00 -2.20 -0.05 0.00 -1.68 0.00 0.00 37.83 33.89 1g1s s LYS 103 CO 0.00 -0.51 0.38 -1.58 -0.76 0.00 0.00 175.35 172.88 1g1s s TRP 104 N -3.02 3.48 -0.04 3.18 0.51 0.09 -0.86 118.94 122.27 1g1s s TRP 104 Ca 0.52 0.49 -0.08 0.00 -2.12 0.00 0.00 56.10 54.91 1g1s s TRP 104 Cb -0.11 -1.96 0.01 0.00 -0.81 0.00 0.00 33.47 30.61 1g1s s TRP 104 CO 0.49 0.41 0.19 1.21 -0.51 0.00 0.00 176.95 178.75 1g1s s ASN 105 N -2.66 -0.13 0.03 2.95 2.47 -0.85 -0.40 114.94 116.34 1g1s s ASN 105 Ca 0.40 0.17 -0.20 0.00 0.42 0.00 0.00 52.86 53.65 1g1s s ASN 105 Cb -0.12 0.34 -0.06 0.00 -1.45 0.00 0.00 41.25 39.96 1g1s s ASN 105 CO 0.26 -0.21 0.58 1.51 -3.72 0.00 0.00 177.10 175.53 1g1s s ASP 106 N -0.53 7.02 0.04 -4.21 -4.77 -1.26 -1.26 116.67 111.70 1g1s s ASP 106 Ca -0.06 1.21 -0.01 0.00 -3.30 0.00 0.00 52.55 50.39 1g1s s ASP 106 Cb -0.04 -2.36 -0.03 0.00 -1.09 0.00 0.00 42.92 39.40 1g1s s ASP 106 CO 0.01 0.18 -0.02 -1.61 0.70 0.00 0.00 175.17 174.43 1g1s s GLU 107 N -0.60 0.50 0.28 2.11 0.41 0.19 -4.82 118.70 116.77 1g1s s GLU 107 Ca 0.30 -0.97 -0.30 0.00 -0.41 0.00 0.00 54.97 53.60 1g1s s GLU 107 Cb -0.19 0.18 -0.10 0.00 -1.78 0.00 0.00 34.13 32.23 1g1s s GLU 107 CO 0.18 -0.09 1.45 -1.58 -0.49 0.00 0.00 175.26 174.72 1g1s s HIS 108 N -2.95 2.95 -0.57 1.61 5.65 -1.26 -2.17 115.29 118.56 1g1s s HIS 108 Ca -0.02 1.06 0.16 0.00 0.25 0.00 0.00 55.06 56.51 1g1s s HIS 108 Cb 0.01 -3.85 0.76 0.00 -1.18 0.00 0.00 32.58 28.32 1g1s s HIS 108 CO -0.06 -2.71 1.48 0.00 -0.65 0.00 0.00 174.74 172.80 1g1s n LEU 110 N -1.96 4.03 -4.82 0.00 4.77 -1.26 -1.82 117.00 115.94 1g1s n LEU 110 Ca 0.00 -2.02 -0.33 0.00 -0.03 0.00 0.00 56.01 53.63 1g1s n LEU 110 Cb 0.09 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 1g1s n LEU 110 CO 0.10 0.87 0.68 -0.54 -1.33 0.00 0.00 177.39 177.17 1g1s s LYS 111 N -1.36 3.93 -0.20 3.23 -0.14 -0.92 -4.84 119.74 119.44 1g1s s LYS 111 Ca 0.47 1.09 -0.11 0.00 -1.36 0.00 0.00 55.97 56.06 1g1s s LYS 111 Cb 0.27 -2.13 -0.05 0.00 -1.68 0.00 0.00 37.83 34.24 1g1s s LYS 111 CO 0.29 -0.29 0.19 0.15 -0.76 0.00 0.00 175.35 174.93 1g1s s LYS 112 N -3.68 4.17 0.29 1.68 1.02 -1.26 -4.10 119.74 117.86 1g1s s LYS 112 Ca 0.62 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 56.47 1g1s s LYS 112 Cb -0.11 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1g1s s LYS 112 CO 0.25 0.20 0.30 0.15 -0.92 0.00 0.00 175.35 175.33 1g1s s LYS 113 N 0.62 1.60 0.14 1.68 1.02 0.09 -4.71 119.74 120.17 1g1s s LYS 113 Ca 0.10 -1.76 -0.27 0.00 0.02 0.00 0.00 55.97 54.06 1g1s s LYS 113 Cb -0.12 0.35 -0.07 0.00 -0.52 0.00 0.00 37.83 37.47 1g1s s LYS 113 CO 0.01 -0.60 0.82 -1.01 -0.92 0.00 0.00 175.35 173.65 1g1s s HIS 114 N -3.62 3.86 0.12 3.18 3.76 -0.70 -0.65 115.29 121.24 1g1s s HIS 114 Ca 0.36 1.66 -0.30 0.00 -0.15 0.00 0.00 55.06 56.62 1g1s s HIS 114 Cb 0.03 -2.85 -0.07 0.00 1.11 0.00 0.00 32.58 30.80 1g1s s HIS 114 CO 0.19 0.40 1.16 0.00 -0.85 0.00 0.00 174.74 175.64 1g1s s ALA 115 N -0.69 3.38 -0.32 -1.40 0.00 -1.26 -1.12 121.76 120.35 1g1s s ALA 115 Ca 0.39 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 1g1s s ALA 115 Cb -0.23 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.56 1g1s s ALA 115 CO 0.27 -0.33 0.03 -1.17 0.00 0.00 0.00 175.76 174.55 1g1s s LEU 116 N 0.29 4.22 0.38 0.00 2.96 -1.20 -1.76 118.68 123.57 1g1s s LEU 116 Ca 0.54 -1.56 0.08 0.00 -0.22 0.00 0.00 54.13 52.97 1g1s s LEU 116 Cb -0.30 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1g1s s LEU 116 CO 0.33 -0.32 0.24 0.00 -1.32 0.00 0.00 176.35 175.27 1g1s s TYR 118 N -2.48 0.88 -0.05 0.00 1.13 -0.81 -1.08 117.35 114.95 1g1s s TYR 118 Ca 0.42 -1.20 -0.26 0.00 -1.41 0.00 0.00 57.07 54.62 1g1s s TYR 118 Cb -0.01 -0.43 0.06 0.00 -1.10 0.00 0.00 41.96 40.48 1g1s s TYR 118 CO 0.24 -0.60 0.57 -0.08 -2.51 0.00 0.00 175.55 173.17 1g1s s THR 119 N -4.07 0.02 0.44 -3.49 -1.32 -0.40 -1.41 115.64 105.40 1g1s s THR 119 Ca 0.28 -0.14 -0.26 0.00 -1.21 0.00 0.00 61.69 60.36 1g1s s THR 119 Cb 0.07 -0.88 -0.08 0.00 -1.51 0.00 0.00 72.50 70.09 1g1s s THR 119 CO 0.05 -0.08 1.42 0.00 -2.21 0.00 0.00 174.62 173.80 1g1s s ALA 120 N -1.15 3.26 -0.09 11.08 0.00 -1.26 -0.64 121.76 132.96 1g1s s ALA 120 Ca -0.11 1.44 0.15 0.00 0.00 0.00 0.00 51.96 53.44 1g1s s ALA 120 Cb -0.02 -3.58 -0.15 0.00 0.00 0.00 0.00 23.12 19.38 1g1s s ALA 120 CO 0.08 -1.14 0.87 0.77 0.00 0.00 0.00 175.76 176.34 1g1s h SER 121 N 2.41 0.00 -3.43 0.00 0.02 -1.87 -3.42 113.55 107.26 1g1s h SER 121 Ca -0.51 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.92 1g1s h SER 121 Cb 1.26 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.84 1g1s h SER 121 CO 0.61 0.71 0.66 0.00 -1.14 0.00 0.00 176.83 177.67 1g1s s GLN 123 N -0.28 1.59 0.25 0.00 -1.52 -1.26 -5.03 119.66 113.42 1g1s s GLN 123 Ca 0.56 -1.81 -0.04 0.00 -1.95 0.00 0.00 55.36 52.12 1g1s s GLN 123 Cb -0.37 -1.21 0.51 0.00 -0.22 0.00 0.00 33.01 31.72 1g1s s GLN 123 CO 0.40 0.04 1.68 0.22 -0.25 0.00 0.00 175.29 177.37 1g1s h ASP 124 N 2.23 0.03 -0.13 5.90 -0.00 -2.03 -1.58 116.42 120.84 1g1s h ASP 124 Ca -0.40 0.15 0.00 0.00 -0.00 0.00 0.00 57.03 56.78 1g1s h ASP 124 Cb 1.24 0.20 0.00 0.00 -0.00 0.00 0.00 39.33 40.77 1g1s h ASP 124 CO 0.68 -0.05 0.00 0.23 -0.00 0.00 0.00 179.24 180.10 1g1s n MET 125 N -5.16 1.68 -1.45 0.28 2.81 -1.26 -4.77 117.12 109.26 1g1s n MET 125 Ca 0.15 -1.02 -0.34 0.00 -1.81 0.00 0.00 57.70 54.68 1g1s n MET 125 Cb 0.50 -1.41 0.09 0.00 -0.71 0.00 0.00 33.22 31.69 1g1s n MET 125 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1g1s s SER 126 N -1.65 4.22 -1.71 7.83 0.01 -0.60 -2.93 113.70 118.88 1g1s s SER 126 Ca 0.33 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.96 1g1s s SER 126 Cb 0.18 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1g1s s SER 126 CO 0.27 -2.25 0.00 0.00 0.41 0.00 0.00 173.24 171.68 1g1s n SER 128 N -1.91 -3.70 -2.28 0.00 7.64 -1.13 -0.16 113.62 112.09 1g1s n SER 128 Ca -0.23 0.33 -0.18 0.00 1.01 0.00 0.00 58.87 59.80 1g1s n SER 128 Cb 0.67 -3.41 -0.02 0.00 -1.01 0.00 0.00 64.21 60.45 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 -1.98 -1.81 -0.74 1.43 4.76 -1.05 -4.83 118.16 113.93 1g1s n LYS 129 Ca -0.14 0.89 0.05 0.00 -2.87 0.00 0.00 58.31 56.24 1g1s n LYS 129 Cb 0.47 -5.48 0.10 0.00 -1.84 0.00 0.00 35.03 28.28 1g1s n LYS 129 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1g1s n GLN 130 N -2.82 0.77 -3.62 1.97 6.02 0.78 -5.07 117.38 115.41 1g1s n GLN 130 Ca -0.20 -2.37 0.01 0.00 -0.01 0.00 0.00 57.00 54.43 1g1s n GLN 130 Cb 0.65 -0.92 -0.01 0.00 1.02 0.00 0.00 30.24 30.98 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 -2.40 -0.39 -0.17 1.08 0.00 -1.18 -1.43 107.32 102.83 1g1s s GLY 131 Ca 0.29 0.78 -0.15 0.00 0.00 0.00 0.00 44.72 45.65 1g1s s GLY 131 CO -0.07 0.17 0.33 1.85 0.00 0.00 0.00 173.10 175.38 1g1s s GLU 132 N -2.46 4.25 0.01 2.90 2.12 0.58 -4.82 118.70 121.27 1g1s s GLU 132 Ca 0.13 0.14 -0.25 0.00 0.36 0.00 0.00 54.97 55.35 1g1s s GLU 132 Cb 0.04 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 1g1s s GLU 132 CO -0.04 0.17 0.78 0.00 -0.54 0.00 0.00 175.26 175.63 1g1s s LEU 134 N 0.33 1.91 0.31 0.00 1.43 -0.17 -4.98 118.68 117.51 1g1s s LEU 134 Ca 0.40 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 1g1s s LEU 134 Cb -0.20 -1.17 -0.10 0.00 0.03 0.00 0.00 46.19 44.75 1g1s s LEU 134 CO 0.22 0.11 1.21 -1.61 0.23 0.00 0.00 176.35 176.51 1g1s s GLU 135 N 0.46 4.49 0.42 1.70 0.41 -1.26 -0.99 118.70 123.93 1g1s s GLU 135 Ca -0.17 2.02 0.03 0.00 -0.41 0.00 0.00 54.97 56.45 1g1s s GLU 135 Cb -0.17 -3.13 -0.03 0.00 -1.78 0.00 0.00 34.13 29.02 1g1s s GLU 135 CO 0.07 0.00 0.09 0.95 -0.49 0.00 0.00 175.26 175.88 1g1s s THR 136 N -1.15 0.86 -0.68 3.63 -4.23 0.20 -4.75 115.64 109.52 1g1s s THR 136 Ca 0.47 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.71 1g1s s THR 136 Cb -0.36 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.09 1g1s s THR 136 CO 0.47 0.00 1.54 -0.63 -0.54 0.00 0.00 174.62 175.46 1g1s s ILE 137 N -3.14 3.57 0.00 2.99 1.01 -1.26 -0.06 121.20 124.31 1g1s s ILE 137 Ca 0.22 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.21 1g1s s ILE 137 Cb 0.04 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1g1s s ILE 137 CO 0.12 -1.42 0.00 0.61 0.00 0.00 0.00 174.94 174.25 1g1s n GLY 138 N 5.51 3.10 0.00 6.18 0.00 -0.21 -4.94 105.19 114.83 1g1s n GLY 138 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 3.89 -3.80 1.61 5.15 -1.03 -4.50 115.26 116.58 1g1s n ASN 139 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 1g1s n ASN 139 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 1g1s n ASN 139 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1g1s s TYR 140 N 0.23 0.03 0.22 1.20 1.13 -1.26 -0.63 117.35 118.28 1g1s s TYR 140 Ca 0.00 -0.38 0.03 0.00 -1.41 0.00 0.00 57.07 55.31 1g1s s TYR 140 Cb 0.00 0.25 -0.05 0.00 -1.10 0.00 0.00 41.96 41.06 1g1s s TYR 140 CO 0.00 -0.84 0.00 -0.08 -2.51 0.00 0.00 175.55 172.12 1g1s s THR 141 N -3.90 0.97 -0.05 -3.49 -1.32 -0.16 -4.87 115.64 102.83 1g1s s THR 141 Ca 0.11 -2.03 0.06 0.00 -1.21 0.00 0.00 61.69 58.62 1g1s s THR 141 Cb 0.00 -2.33 -0.02 0.00 -1.51 0.00 0.00 72.50 68.65 1g1s s THR 141 CO -0.03 -0.33 -0.22 0.00 -2.21 0.00 0.00 174.62 171.83 1g1s s SER 143 N -0.42 5.48 0.57 0.00 0.01 -0.12 -4.93 113.70 114.29 1g1s s SER 143 Ca 0.04 -2.00 -0.19 0.00 1.31 0.00 0.00 55.95 55.11 1g1s s SER 143 Cb -0.12 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 1g1s s SER 143 CO 0.01 -0.62 1.19 0.00 0.41 0.00 0.00 173.24 174.24 1g1s s TYR 145 N -1.61 2.90 0.31 0.00 2.02 -0.51 -4.85 117.35 115.61 1g1s s TYR 145 Ca 0.75 1.49 0.06 0.00 -0.37 0.00 0.00 57.07 58.99 1g1s s TYR 145 Cb -0.29 -2.97 0.86 0.00 -0.40 0.00 0.00 41.96 39.15 1g1s s TYR 145 CO 0.32 -1.41 1.53 -2.30 -1.57 0.00 0.00 175.55 172.12 1g1s n PRO 146 N -3.00 -0.07 -0.36 -1.71 -0.02 -1.26 -2.24 135.00 126.33 1g1s n PRO 146 Ca 0.08 1.44 0.05 0.00 -2.02 0.00 0.00 63.50 63.05 1g1s n PRO 146 Cb 0.53 -2.34 0.20 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.44 1.68 3.26 -1.23 0.00 -1.26 -4.92 105.19 101.26 1g1s n GLY 147 Ca 0.26 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.73 1.40 0.26 1.61 0.08 -0.95 -1.19 117.98 117.46 1g1s s PHE 148 Ca 0.29 -0.60 -0.08 0.00 0.12 0.00 0.00 56.93 56.66 1g1s s PHE 148 Cb 0.19 -0.72 -0.01 0.00 -0.57 0.00 0.00 43.02 41.91 1g1s s PHE 148 CO 0.13 0.16 0.41 1.52 -0.10 0.00 0.00 175.22 177.34 1g1s s TYR 149 N -2.49 0.67 0.00 0.36 1.13 -0.12 -4.66 117.35 112.24 1g1s s TYR 149 Ca 0.12 -0.98 0.00 0.00 -1.41 0.00 0.00 57.07 54.80 1g1s s TYR 149 Cb -0.03 -0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.82 1g1s s TYR 149 CO 0.03 -0.96 0.00 0.41 -2.51 0.00 0.00 175.55 172.52 1g1s n GLY 150 N -0.40 2.63 0.38 5.49 0.00 -1.26 -1.52 105.19 110.51 1g1s n GLY 150 Ca -0.00 -1.92 0.17 0.00 0.00 0.00 0.00 46.02 44.27 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 0.23 -0.12 1.61 0.13 -2.01 -0.88 132.00 130.95 1g1s h PRO 151 Ca 0.00 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1g1s h PRO 151 Cb 0.00 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.07 1g1s h PRO 151 CO 0.00 0.15 -0.02 0.39 -0.23 0.00 0.00 178.00 178.29 1g1s n GLU 152 N -4.43 2.01 -2.94 0.86 -0.58 -1.26 -4.33 120.64 109.97 1g1s n GLU 152 Ca 0.12 -2.74 -0.19 0.00 -0.42 0.00 0.00 57.16 53.93 1g1s n GLU 152 Cb 0.55 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 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 -3.44 0.53 -4.38 0.00 0.00 -1.15 -4.55 120.64 107.65 1g1s n GLU 154 Ca -0.09 -0.19 -0.32 0.00 0.00 0.00 0.00 57.16 56.57 1g1s n GLU 154 Cb 0.59 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.43 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 -2.60 2.88 -0.20 -1.84 2.02 -0.58 -4.99 117.35 112.05 1g1s s TYR 155 Ca 0.25 -0.05 -0.15 0.00 -0.37 0.00 0.00 57.07 56.75 1g1s s TYR 155 Cb 0.20 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 1g1s s TYR 155 CO 0.51 0.40 0.35 0.08 -1.57 0.00 0.00 175.55 175.31 1g1s s VAL 156 N -1.07 5.24 0.31 0.71 1.01 -1.26 -0.94 120.40 124.40 1g1s s VAL 156 Ca 0.19 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 1g1s s VAL 156 Cb -0.11 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 1g1s s VAL 156 CO 0.10 0.29 1.43 -0.13 0.00 0.00 0.00 175.10 176.78 1g1s s ARG 157 N 1.12 4.24 0.00 2.72 0.52 -0.34 -4.93 118.95 122.29 1g1s s ARG 157 Ca 0.17 2.37 0.15 0.00 -0.52 0.00 0.00 55.73 57.90 1g1s s ARG 157 Cb -0.14 -3.06 0.90 0.00 0.52 0.00 0.00 34.95 33.17 1g1s s ARG 157 CO 0.07 -0.40 1.31 -0.40 0.02 0.00 0.00 175.30 175.90