#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lie h ASP 2 N 0.00 0.41 0.48 0.00 3.32 -2.02 -0.86 116.42 117.75 1lie h ASP 2 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lie h ASP 2 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1lie h ASP 2 CO 0.00 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.79 1lie n ALA 3 N -2.50 1.52 -0.02 3.45 0.00 -1.26 -2.63 120.51 119.08 1lie n ALA 3 Ca 0.07 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1lie n ALA 3 Cb 0.26 -1.28 -0.16 0.00 0.00 0.00 0.00 19.45 18.27 1lie n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1lie n PHE 4 N -1.88 0.07 -1.71 0.00 3.72 -0.33 -4.98 117.46 112.34 1lie n PHE 4 Ca 0.02 0.02 -0.43 0.00 -0.05 0.00 0.00 57.45 57.01 1lie n PHE 4 Cb 0.16 -0.60 -0.03 0.00 -0.94 0.00 0.00 39.48 38.07 1lie n PHE 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1lie n VAL 5 N -2.36 0.27 0.00 -4.37 0.31 -1.08 -4.55 118.33 106.55 1lie n VAL 5 Ca -0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1lie n VAL 5 Cb 0.65 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1lie n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lie n GLY 6 N 3.37 1.02 3.49 2.92 0.00 -0.52 -4.96 105.19 110.52 1lie n GLY 6 Ca 0.14 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 1lie n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lie s THR 7 N -1.43 3.84 0.03 2.61 2.01 -1.26 -1.18 115.64 120.26 1lie s THR 7 Ca 0.00 -0.38 0.08 0.00 0.31 0.00 0.00 61.69 61.70 1lie s THR 7 Cb 0.00 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 1lie s THR 7 CO 0.00 0.50 -0.23 0.26 -0.69 0.00 0.00 174.62 174.46 1lie s TRP 8 N 0.31 2.05 -0.04 4.92 0.52 0.14 -1.14 118.94 125.70 1lie s TRP 8 Ca -0.04 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.75 1lie s TRP 8 Cb -0.14 -1.24 -0.02 0.00 -1.15 0.00 0.00 33.47 30.92 1lie s TRP 8 CO 0.03 0.09 -0.23 -1.59 0.02 0.00 0.00 176.95 175.27 1lie s LYS 9 N -1.10 2.37 0.20 4.98 -2.85 0.57 0.04 119.74 123.96 1lie s LYS 9 Ca 0.09 -0.86 -0.31 0.00 -1.00 0.00 0.00 55.97 53.90 1lie s LYS 9 Cb -0.09 -2.17 -0.10 0.00 -2.06 0.00 0.00 37.83 33.41 1lie s LYS 9 CO 0.01 0.51 1.48 -1.17 0.10 0.00 0.00 175.35 176.28 1lie s LEU 10 N -0.47 4.38 -0.05 2.77 2.96 -1.13 -1.33 118.68 125.80 1lie s LEU 10 Ca 0.06 2.60 0.03 0.00 -0.22 0.00 0.00 54.13 56.60 1lie s LEU 10 Cb -0.11 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1lie s LEU 10 CO 0.01 -0.74 -0.01 1.33 -1.32 0.00 0.00 176.35 175.63 1lie n VAL 11 N 3.12 0.33 -3.71 1.68 0.24 0.47 -4.91 118.33 115.55 1lie n VAL 11 Ca 0.10 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 1lie n VAL 11 Cb 0.40 -0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 31.87 1lie n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1lie s SER 12 N -3.90 -0.23 0.00 -1.34 1.04 -1.13 -5.00 113.70 103.14 1lie s SER 12 Ca -0.04 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.43 1lie s SER 12 Cb 0.02 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 1lie s SER 12 CO 0.17 -0.56 -0.02 -0.55 0.98 0.00 0.00 173.24 173.26 1lie s SER 13 N -1.70 0.26 -0.04 7.02 0.15 -1.26 -1.09 113.70 117.03 1lie s SER 13 Ca -0.09 -0.10 -0.00 0.00 0.70 0.00 0.00 55.95 56.46 1lie s SER 13 Cb -0.02 -0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.30 1lie s SER 13 CO 0.01 -0.02 0.00 -0.70 1.20 0.00 0.00 173.24 173.74 1lie s GLU 14 N -0.24 0.39 -2.08 5.44 2.12 0.18 -4.86 118.70 119.66 1lie s GLU 14 Ca -0.01 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.42 1lie s GLU 14 Cb -0.02 -0.64 0.00 0.00 0.26 0.00 0.00 34.13 33.73 1lie s GLU 14 CO -0.00 -0.19 0.00 0.09 -0.54 0.00 0.00 175.26 174.62 1lie n ASN 15 N 4.51 -5.40 -0.22 -1.70 3.02 -1.26 -1.55 115.26 112.67 1lie n ASN 15 Ca -0.19 0.46 -0.08 0.00 -0.03 0.00 0.00 54.58 54.74 1lie n ASN 15 Cb 0.50 -4.63 0.03 0.00 -0.61 0.00 0.00 39.78 35.07 1lie n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1lie h PHE 16 N 0.00 0.98 -0.70 3.10 3.57 -1.89 -1.37 116.94 120.63 1lie h PHE 16 Ca -0.41 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 60.94 1lie h PHE 16 Cb 1.29 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1lie h PHE 16 CO 0.55 0.81 0.24 0.22 -2.23 0.00 0.00 178.31 177.90 1lie h ASP 17 N 0.87 0.98 -0.56 0.41 3.58 -1.96 -0.80 116.42 118.94 1lie h ASP 17 Ca 0.20 -0.17 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 1lie h ASP 17 Cb 0.29 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 1lie h ASP 17 CO -0.01 0.90 0.09 0.44 -2.88 0.00 0.00 179.24 177.79 1lie h ASP 18 N 1.03 0.93 -0.06 2.28 3.32 -1.88 0.11 116.42 122.14 1lie h ASP 18 Ca 0.23 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1lie h ASP 18 Cb 0.26 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1lie h ASP 18 CO -0.01 0.93 0.03 0.22 -1.72 0.00 0.00 179.24 178.68 1lie h TYR 19 N 0.92 0.09 -0.59 4.55 3.20 -0.63 -1.67 116.97 122.84 1lie h TYR 19 Ca 0.19 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1lie h TYR 19 Cb 0.41 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1lie h TYR 19 CO 0.03 0.21 0.27 0.52 -1.64 0.00 0.00 178.16 177.55 1lie h MET 20 N -0.06 0.84 -0.33 1.82 2.86 -0.88 -0.18 114.93 118.99 1lie h MET 20 Ca 0.02 -0.11 0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1lie h MET 20 Cb 0.16 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1lie h MET 20 CO -0.00 0.66 0.09 0.87 1.06 0.00 0.00 176.91 179.59 1lie h LYS 21 N 0.83 0.21 -0.40 1.72 1.57 -0.52 0.12 116.57 120.10 1lie h LYS 21 Ca 0.20 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 1lie h LYS 21 Cb 0.10 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1lie h LYS 21 CO -0.03 0.14 -0.05 1.49 -0.57 0.00 0.00 179.45 180.44 1lie h GLU 22 N 0.22 0.67 0.00 3.15 4.57 -0.48 -1.81 114.58 120.91 1lie h GLU 22 Ca 0.15 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 1lie h GLU 22 Cb 0.15 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1lie h GLU 22 CO -0.18 0.72 -0.22 0.28 -1.18 0.00 0.00 179.01 178.44 1lie h VAL 23 N 0.63 0.52 0.00 0.32 2.07 -0.65 -3.47 116.25 115.67 1lie h VAL 23 Ca 0.12 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1lie h VAL 23 Cb 0.46 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1lie h VAL 23 CO 0.02 0.21 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1lie n GLY 24 N 0.21 1.00 3.74 2.17 0.00 -0.32 -5.08 105.19 106.91 1lie n GLY 24 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1lie n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lie s VAL 25 N -2.00 3.46 0.68 1.61 1.01 -0.12 -5.00 120.40 120.04 1lie s VAL 25 Ca 0.00 1.28 -0.16 0.00 0.00 0.00 0.00 61.98 63.10 1lie s VAL 25 Cb 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1lie s VAL 25 CO 0.00 0.23 1.16 -0.83 0.00 0.00 0.00 175.10 175.65 1lie s GLY 26 N -0.06 2.30 0.19 4.51 0.00 -1.26 -4.66 107.32 108.34 1lie s GLY 26 Ca 0.52 0.73 -0.18 0.00 0.00 0.00 0.00 44.72 45.78 1lie s GLY 26 CO 0.39 1.11 1.61 -2.75 0.00 0.00 0.00 173.10 173.45 1lie h PHE 27 N 0.03 -0.64 -0.38 1.90 3.57 -1.99 -0.16 116.94 119.28 1lie h PHE 27 Ca -0.48 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.11 1lie h PHE 27 Cb 1.27 0.36 -0.03 0.00 2.79 0.00 0.00 35.95 40.34 1lie h PHE 27 CO 0.51 -0.33 0.20 0.00 -2.23 0.00 0.00 178.31 176.46 1lie h ALA 28 N 1.20 0.47 -0.67 2.41 0.00 -2.00 -0.87 119.26 119.80 1lie h ALA 28 Ca 0.24 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1lie h ALA 28 Cb 0.50 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1lie h ALA 28 CO -0.61 -0.16 0.18 1.15 0.00 0.00 0.00 179.25 179.82 1lie h THR 29 N 0.41 1.25 -0.76 0.00 2.02 -1.78 -1.78 112.91 112.28 1lie h THR 29 Ca 0.16 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 1lie h THR 29 Cb 0.05 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1lie h THR 29 CO -0.10 0.35 0.26 0.03 0.37 0.00 0.00 175.52 176.43 1lie h ARG 30 N 1.00 1.16 -0.57 6.66 3.08 -0.50 -0.76 114.38 124.46 1lie h ARG 30 Ca 0.22 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1lie h ARG 30 Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1lie h ARG 30 CO -0.00 0.97 0.08 0.87 -1.07 0.00 0.00 179.97 180.82 1lie h LYS 31 N 1.11 0.95 -0.07 0.04 1.79 -0.70 -0.77 116.57 118.93 1lie h LYS 31 Ca 0.25 -0.26 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1lie h LYS 31 Cb 0.27 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1lie h LYS 31 CO -0.01 0.91 0.01 0.28 -1.08 0.00 0.00 179.45 179.56 1lie h VAL 32 N 0.85 1.23 -0.77 0.50 2.07 -1.12 -2.62 116.25 116.39 1lie h VAL 32 Ca 0.17 -0.71 0.09 0.00 0.82 0.00 0.00 66.70 67.07 1lie h VAL 32 Cb 0.43 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1lie h VAL 32 CO 0.01 0.20 0.50 0.00 0.02 0.00 0.00 177.57 178.30 1lie h ALA 33 N 0.75 1.75 0.00 1.67 0.00 -1.02 -0.99 119.26 121.43 1lie h ALA 33 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1lie h ALA 33 Cb 0.30 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1lie h ALA 33 CO 0.00 0.10 -0.13 0.78 0.00 0.00 0.00 179.25 180.00 1lie h GLY 34 N 0.73 0.00 1.52 0.00 0.00 -0.95 -2.96 103.07 101.41 1lie h GLY 34 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.61 1lie h GLY 34 CO -0.13 0.00 -0.71 -0.33 0.00 0.00 0.00 176.54 175.38 1lie h MET 35 N 0.00 0.00 -6.82 4.80 2.86 -0.83 -3.46 114.93 111.47 1lie h MET 35 Ca -0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.14 1lie h MET 35 Cb 0.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 1lie h MET 35 CO 0.02 0.21 0.42 0.00 1.06 0.00 0.00 176.91 178.61 1lie s ALA 36 N -3.11 3.32 -0.64 6.32 0.00 -0.80 -4.97 121.76 121.88 1lie s ALA 36 Ca 0.02 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.80 1lie s ALA 36 Cb 0.08 -3.27 0.25 0.00 0.00 0.00 0.00 23.12 20.17 1lie s ALA 36 CO 0.75 -0.04 0.74 1.17 0.00 0.00 0.00 175.76 178.38 1lie n LYS 37 N 1.01 2.47 -1.09 0.00 4.81 -1.26 -5.00 118.16 119.10 1lie n LYS 37 Ca -0.00 -4.64 -0.32 0.00 -0.87 0.00 0.00 58.31 52.48 1lie n LYS 37 Cb 0.47 -2.24 0.13 0.00 0.02 0.00 0.00 35.03 33.41 1lie n LYS 37 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1lie s PRO 38 N -2.42 1.66 -0.19 1.64 0.05 -1.26 -4.70 135.00 129.78 1lie s PRO 38 Ca 0.39 1.60 -0.07 0.00 0.05 0.00 0.00 61.00 62.98 1lie s PRO 38 Cb 0.14 -1.79 -0.04 0.00 0.05 0.00 0.00 34.50 32.86 1lie s PRO 38 CO -0.02 -2.17 0.05 -0.80 0.05 0.00 0.00 177.00 174.12 1lie s ASN 39 N -2.47 5.42 -0.21 6.66 0.02 -0.66 -2.86 114.94 120.84 1lie s ASN 39 Ca 0.69 -0.00 -0.10 0.00 -1.02 0.00 0.00 52.86 52.43 1lie s ASN 39 Cb -0.25 -1.93 -0.05 0.00 0.02 0.00 0.00 41.25 39.04 1lie s ASN 39 CO 0.52 0.13 0.15 -0.32 0.02 0.00 0.00 177.10 177.61 1lie s MET 40 N 0.61 4.15 -0.20 -0.60 -2.45 0.11 -0.77 119.30 120.14 1lie s MET 40 Ca 0.02 -0.21 0.01 0.00 -1.25 0.00 0.00 55.69 54.26 1lie s MET 40 Cb -0.13 -3.46 0.02 0.00 1.25 0.00 0.00 34.83 32.51 1lie s MET 40 CO 0.02 0.21 -0.16 0.42 1.05 0.00 0.00 175.02 176.56 1lie s ILE 41 N 0.62 2.28 -0.10 10.11 1.01 0.97 0.28 121.20 136.37 1lie s ILE 41 Ca 0.08 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1lie s ILE 41 Cb -0.12 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 1lie s ILE 41 CO 0.01 0.41 -0.17 -0.63 0.00 0.00 0.00 174.94 174.55 1lie s ILE 42 N 1.28 2.70 0.06 2.92 1.01 -0.33 -0.36 121.20 128.49 1lie s ILE 42 Ca 0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 1lie s ILE 42 Cb -0.15 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1lie s ILE 42 CO -0.10 0.55 0.06 -0.94 0.00 0.00 0.00 174.94 174.51 1lie s SER 43 N 0.15 0.31 -0.03 3.58 1.04 -0.56 -1.43 113.70 116.76 1lie s SER 43 Ca -0.09 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 55.58 1lie s SER 43 Cb -0.15 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.22 1lie s SER 43 CO 0.06 -0.61 -0.09 -0.69 0.98 0.00 0.00 173.24 172.89 1lie s VAL 44 N -3.57 0.77 -0.24 5.02 1.01 -1.26 -0.64 120.40 121.49 1lie s VAL 44 Ca 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1lie s VAL 44 Cb 0.05 -0.70 0.08 0.00 0.00 0.00 0.00 36.38 35.81 1lie s VAL 44 CO -0.09 0.25 0.10 0.21 0.00 0.00 0.00 175.10 175.57 1lie s ASN 45 N 0.29 3.10 1.49 3.32 3.04 0.00 -5.02 114.94 121.16 1lie s ASN 45 Ca -0.05 -1.03 0.00 0.00 0.04 0.00 0.00 52.86 51.82 1lie s ASN 45 Cb -0.09 -0.40 0.00 0.00 -1.54 0.00 0.00 41.25 39.22 1lie s ASN 45 CO 0.01 -0.39 0.00 0.61 -3.04 0.00 0.00 177.10 174.29 1lie n GLY 46 N 5.19 2.19 1.22 1.21 0.00 -1.26 -1.72 105.19 112.02 1lie n GLY 46 Ca -0.06 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.68 1lie n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lie n ASP 47 N 5.50 3.55 -4.56 1.61 8.00 -1.26 -4.86 116.55 124.53 1lie n ASP 47 Ca 0.00 -2.06 -0.37 0.00 0.71 0.00 0.00 54.79 53.07 1lie n ASP 47 Cb 0.00 -0.45 -0.11 0.00 -0.02 0.00 0.00 41.12 40.54 1lie n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1lie s LEU 48 N -1.10 3.87 -0.12 0.64 1.02 -0.70 -4.29 118.68 118.00 1lie s LEU 48 Ca 0.43 -0.04 -0.05 0.00 0.02 0.00 0.00 54.13 54.49 1lie s LEU 48 Cb 0.23 -2.06 -0.04 0.00 0.02 0.00 0.00 46.19 44.34 1lie s LEU 48 CO 0.28 -0.03 0.06 -0.69 0.02 0.00 0.00 176.35 176.00 1lie s VAL 49 N 1.60 4.83 -0.09 -1.59 1.01 0.24 -0.81 120.40 125.58 1lie s VAL 49 Ca 0.07 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.04 1lie s VAL 49 Cb -0.15 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1lie s VAL 49 CO 0.08 0.58 -0.21 -0.89 0.00 0.00 0.00 175.10 174.66 1lie s THR 50 N -0.70 1.86 -0.19 3.92 2.01 0.19 -0.70 115.64 122.03 1lie s THR 50 Ca 0.12 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1lie s THR 50 Cb -0.12 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.80 1lie s THR 50 CO 0.02 0.51 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.65 1lie s ILE 51 N 0.44 2.04 -0.05 1.82 1.01 -0.03 -1.49 121.20 124.94 1lie s ILE 51 Ca -0.17 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.55 1lie s ILE 51 Cb -0.17 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1lie s ILE 51 CO 0.07 0.48 -0.24 -0.60 0.00 0.00 0.00 174.94 174.65 1lie s ARG 52 N 1.28 2.50 -0.15 2.79 3.52 0.52 -1.48 118.95 127.93 1lie s ARG 52 Ca 0.04 -0.90 0.02 0.00 -0.13 0.00 0.00 55.73 54.76 1lie s ARG 52 Cb -0.14 -2.16 0.01 0.00 -1.56 0.00 0.00 34.95 31.10 1lie s ARG 52 CO -0.12 0.42 -0.21 0.45 -0.81 0.00 0.00 175.30 175.02 1lie s SER 53 N -0.25 3.14 -0.08 -2.12 0.15 -0.01 -0.02 113.70 114.51 1lie s SER 53 Ca -0.01 -0.61 0.04 0.00 0.70 0.00 0.00 55.95 56.07 1lie s SER 53 Cb -0.13 -1.46 -0.02 0.00 -1.71 0.00 0.00 66.02 62.71 1lie s SER 53 CO 0.03 0.07 -0.19 -1.61 1.20 0.00 0.00 173.24 172.74 1lie s GLU 54 N 0.89 2.78 0.08 5.44 2.02 0.05 -0.57 118.70 129.39 1lie s GLU 54 Ca -0.05 -0.79 -0.14 0.00 0.02 0.00 0.00 54.97 54.01 1lie s GLU 54 Cb -0.15 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 31.75 1lie s GLU 54 CO -0.04 0.40 0.32 -1.54 0.02 0.00 0.00 175.26 174.42 1lie s SER 55 N -0.16 -0.13 0.44 -0.19 1.04 -1.16 -1.64 113.70 111.90 1lie s SER 55 Ca -0.02 -0.30 0.23 0.00 0.48 0.00 0.00 55.95 56.33 1lie s SER 55 Cb -0.14 0.40 1.21 0.00 0.10 0.00 0.00 66.02 67.59 1lie s SER 55 CO 0.04 -0.72 1.82 0.71 0.98 0.00 0.00 173.24 176.07 1lie h THR 56 N 2.84 0.56 -0.00 2.02 1.35 -1.99 -2.89 112.91 114.78 1lie h THR 56 Ca -0.33 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1lie h THR 56 Cb 1.22 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1lie h THR 56 CO 0.48 0.05 -0.39 0.49 -0.25 0.00 0.00 175.52 175.90 1lie n PHE 57 N -4.48 0.00 -3.53 4.73 3.72 -1.26 -4.99 117.46 111.65 1lie n PHE 57 Ca 0.23 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.62 1lie n PHE 57 Cb 0.89 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.38 1lie n PHE 57 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1lie s LYS 58 N -1.80 0.42 -0.11 -1.08 2.20 -1.09 -5.15 119.74 113.14 1lie s LYS 58 Ca 0.07 0.99 -0.03 0.00 -0.36 0.00 0.00 55.97 56.64 1lie s LYS 58 Cb 0.09 0.52 -0.03 0.00 -1.51 0.00 0.00 37.83 36.90 1lie s LYS 58 CO 0.38 -0.13 0.01 -0.80 -0.36 0.00 0.00 175.35 174.45 1lie s ASN 59 N 2.42 5.31 0.14 1.43 0.01 -1.26 -2.96 114.94 120.02 1lie s ASN 59 Ca -0.05 0.13 0.08 0.00 -0.71 0.00 0.00 52.86 52.31 1lie s ASN 59 Cb -0.08 -1.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.95 1lie s ASN 59 CO -0.18 0.34 -0.18 0.42 -1.51 0.00 0.00 177.10 175.99 1lie s THR 60 N -0.63 1.66 -0.19 1.60 -4.23 0.27 -4.98 115.64 109.15 1lie s THR 60 Ca 0.10 -1.78 -0.13 0.00 -1.18 0.00 0.00 61.69 58.71 1lie s THR 60 Cb -0.12 -1.69 0.06 0.00 1.34 0.00 0.00 72.50 72.09 1lie s THR 60 CO 0.02 -0.29 0.47 -0.70 -0.54 0.00 0.00 174.62 173.59 1lie s GLU 61 N -2.57 0.49 -0.03 3.99 2.12 -1.26 -0.83 118.70 120.61 1lie s GLU 61 Ca 0.12 0.81 0.02 0.00 0.36 0.00 0.00 54.97 56.28 1lie s GLU 61 Cb -0.06 0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.43 1lie s GLU 61 CO 0.05 -0.13 -0.08 0.96 -0.54 0.00 0.00 175.26 175.53 1lie s ILE 62 N 1.07 0.72 -0.08 -3.70 -4.36 -0.55 -5.00 121.20 109.30 1lie s ILE 62 Ca -0.07 -0.29 0.05 0.00 -0.26 0.00 0.00 60.65 60.08 1lie s ILE 62 Cb -0.06 -0.67 -0.00 0.00 1.25 0.00 0.00 42.46 42.97 1lie s ILE 62 CO -0.10 0.24 -0.24 -0.44 0.24 0.00 0.00 174.94 174.64 1lie s SER 63 N 0.46 3.08 0.19 4.36 0.01 -1.26 -0.85 113.70 119.69 1lie s SER 63 Ca -0.07 -0.54 -0.17 0.00 1.31 0.00 0.00 55.95 56.48 1lie s SER 63 Cb -0.11 -1.17 0.03 0.00 0.21 0.00 0.00 66.02 64.98 1lie s SER 63 CO 0.01 0.20 0.51 0.72 0.41 0.00 0.00 173.24 175.09 1lie s PHE 64 N 0.13 -0.13 -0.15 2.43 -0.71 0.13 -4.95 117.98 114.72 1lie s PHE 64 Ca -0.12 -0.21 -0.05 0.00 -1.04 0.00 0.00 56.93 55.51 1lie s PHE 64 Cb -0.16 0.38 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1lie s PHE 64 CO 0.07 -0.90 0.01 0.21 -1.34 0.00 0.00 175.22 173.27 1lie s LYS 65 N -3.87 3.62 0.03 1.99 2.20 -1.26 -0.59 119.74 121.87 1lie s LYS 65 Ca 0.09 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 1lie s LYS 65 Cb -0.01 -3.00 -0.09 0.00 -1.51 0.00 0.00 37.83 33.23 1lie s LYS 65 CO -0.04 0.38 1.93 -0.51 -0.36 0.00 0.00 175.35 176.75 1lie s LEU 66 N 0.04 4.42 0.00 5.43 1.43 -1.26 -2.18 118.68 126.56 1lie s LEU 66 Ca 0.03 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 1lie s LEU 66 Cb -0.13 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1lie s LEU 66 CO 0.02 -1.04 0.00 0.61 0.23 0.00 0.00 176.35 176.17 1lie n GLY 67 N 4.49 0.28 3.48 -3.19 0.00 0.27 -4.96 105.19 105.55 1lie n GLY 67 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1lie n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lie s VAL 68 N -2.03 4.44 0.31 1.61 1.01 -0.93 -4.95 120.40 119.87 1lie s VAL 68 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1lie s VAL 68 Cb 0.00 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 1lie s VAL 68 CO 0.00 0.35 1.37 -0.70 0.00 0.00 0.00 175.10 176.12 1lie s GLU 69 N 1.43 4.30 0.17 2.72 2.12 -1.26 -4.65 118.70 123.53 1lie s GLU 69 Ca 0.06 2.28 -0.04 0.00 0.36 0.00 0.00 54.97 57.63 1lie s GLU 69 Cb -0.15 -3.07 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 1lie s GLU 69 CO 0.04 -0.30 0.17 -0.59 -0.54 0.00 0.00 175.26 174.04 1lie s PHE 70 N -0.78 0.83 0.01 5.30 -0.71 0.22 -4.96 117.98 117.89 1lie s PHE 70 Ca 0.53 -1.15 -0.19 0.00 -1.04 0.00 0.00 56.93 55.07 1lie s PHE 70 Cb -0.41 -0.36 -0.06 0.00 -1.21 0.00 0.00 43.02 40.98 1lie s PHE 70 CO 0.51 -0.65 0.56 -0.51 -1.34 0.00 0.00 175.22 173.79 1lie s ASP 71 N -3.07 6.96 -0.01 1.98 1.01 -1.26 -0.35 116.67 121.93 1lie s ASP 71 Ca 0.28 1.14 0.01 0.00 0.71 0.00 0.00 52.55 54.69 1lie s ASP 71 Cb 0.06 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.64 1lie s ASP 71 CO 0.06 0.16 -0.03 -0.70 0.21 0.00 0.00 175.17 174.88 1lie s GLU 72 N -0.47 0.29 -0.33 8.23 2.12 -0.37 -4.92 118.70 123.25 1lie s GLU 72 Ca 0.29 -0.08 -0.08 0.00 0.36 0.00 0.00 54.97 55.46 1lie s GLU 72 Cb -0.18 -0.31 0.02 0.00 0.26 0.00 0.00 34.13 33.91 1lie s GLU 72 CO 0.17 0.03 0.13 0.42 -0.54 0.00 0.00 175.26 175.47 1lie s ILE 73 N 0.14 4.16 0.89 -3.70 -1.09 -1.26 -0.73 121.20 119.60 1lie s ILE 73 Ca -0.01 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 57.48 1lie s ILE 73 Cb -0.04 -3.24 0.12 0.00 -1.58 0.00 0.00 42.46 37.73 1lie s ILE 73 CO -0.00 -0.07 1.11 0.42 -1.23 0.00 0.00 174.94 175.16 1lie s THR 74 N 1.50 2.51 0.46 2.92 -4.23 -0.06 -4.89 115.64 113.86 1lie s THR 74 Ca 0.02 0.16 0.11 0.00 -1.18 0.00 0.00 61.69 60.80 1lie s THR 74 Cb -0.18 -2.81 0.27 0.00 1.34 0.00 0.00 72.50 71.12 1lie s THR 74 CO 0.04 -0.22 2.10 0.00 -0.54 0.00 0.00 174.62 176.00 1lie h ALA 75 N -1.44 1.86 -0.34 3.99 0.00 -1.97 0.99 119.26 122.34 1lie h ALA 75 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1lie h ALA 75 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1lie h ALA 75 CO 0.59 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.56 1lie n ASP 76 N -4.50 2.83 -2.40 0.00 5.75 -1.26 -4.93 116.55 112.05 1lie n ASP 76 Ca 0.01 -2.26 -0.16 0.00 -0.01 0.00 0.00 54.79 52.36 1lie n ASP 76 Cb 0.09 -0.44 0.04 0.00 -1.03 0.00 0.00 41.12 39.78 1lie n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1lie n ASP 77 N 0.47 -4.94 -4.86 -1.12 8.00 0.34 -5.02 116.55 109.42 1lie n ASP 77 Ca 0.14 -0.27 -0.36 0.00 0.71 0.00 0.00 54.79 55.00 1lie n ASP 77 Cb 0.55 -3.71 -0.06 0.00 -0.02 0.00 0.00 41.12 37.89 1lie n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1lie s ARG 78 N -5.57 3.79 -0.44 -1.24 0.52 -1.26 -4.82 118.95 109.93 1lie s ARG 78 Ca 0.29 0.24 -0.15 0.00 -0.52 0.00 0.00 55.73 55.59 1lie s ARG 78 Cb -0.13 -3.12 0.05 0.00 0.52 0.00 0.00 34.95 32.27 1lie s ARG 78 CO 0.36 0.64 0.34 0.15 0.02 0.00 0.00 175.30 176.82 1lie s LYS 79 N -1.46 2.97 0.35 3.54 1.02 -1.26 -0.88 119.74 124.02 1lie s LYS 79 Ca 0.27 -1.18 0.08 0.00 0.02 0.00 0.00 55.97 55.16 1lie s LYS 79 Cb -0.15 -4.05 -0.07 0.00 -0.52 0.00 0.00 37.83 33.05 1lie s LYS 79 CO 0.15 -0.88 -0.05 0.14 -0.92 0.00 0.00 175.35 173.79 1lie s VAL 80 N 1.66 1.98 -0.23 3.17 -7.23 0.09 -4.81 120.40 115.02 1lie s VAL 80 Ca 0.04 -2.11 -0.07 0.00 -1.81 0.00 0.00 61.98 58.03 1lie s VAL 80 Cb -0.21 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 1lie s VAL 80 CO 0.08 -0.14 0.06 -0.54 -0.31 0.00 0.00 175.10 174.25 1lie s LYS 81 N -3.68 3.68 0.10 4.82 -0.14 -0.34 -1.24 119.74 122.94 1lie s LYS 81 Ca 0.33 -0.47 0.09 0.00 -1.36 0.00 0.00 55.97 54.56 1lie s LYS 81 Cb 0.05 -3.27 -0.04 0.00 -1.68 0.00 0.00 37.83 32.89 1lie s LYS 81 CO 0.16 -0.11 -0.20 -1.12 -0.76 0.00 0.00 175.35 173.32 1lie s SER 82 N 1.39 3.73 -0.02 2.83 0.01 0.53 -0.93 113.70 121.24 1lie s SER 82 Ca 0.05 -0.57 -0.00 0.00 1.31 0.00 0.00 55.95 56.74 1lie s SER 82 Cb -0.15 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.63 1lie s SER 82 CO 0.03 0.20 0.03 -0.63 0.41 0.00 0.00 173.24 173.27 1lie s ILE 83 N -1.07 -0.01 -0.11 1.44 1.01 -0.82 -0.61 121.20 121.03 1lie s ILE 83 Ca 0.16 0.20 0.02 0.00 0.00 0.00 0.00 60.65 61.04 1lie s ILE 83 Cb -0.10 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.26 1lie s ILE 83 CO 0.08 0.10 -0.17 -0.63 0.00 0.00 0.00 174.94 174.33 1lie s ILE 84 N 1.11 1.62 0.22 2.92 1.01 -1.26 -1.45 121.20 125.37 1lie s ILE 84 Ca -0.09 -0.72 0.09 0.00 0.00 0.00 0.00 60.65 59.94 1lie s ILE 84 Cb -0.13 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 1lie s ILE 84 CO -0.03 0.46 -0.17 0.42 0.00 0.00 0.00 174.94 175.62 1lie s THR 85 N 0.85 2.02 -0.38 2.92 -4.23 -0.56 -0.57 115.64 115.69 1lie s THR 85 Ca -0.09 -2.23 -0.12 0.00 -1.18 0.00 0.00 61.69 58.07 1lie s THR 85 Cb -0.15 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.61 1lie s THR 85 CO 0.00 -0.47 0.23 -0.22 -0.54 0.00 0.00 174.62 173.62 1lie s LEU 86 N -3.26 4.82 -0.09 4.79 2.96 -1.26 -0.70 118.68 125.94 1lie s LEU 86 Ca 0.24 -0.98 -0.00 0.00 -0.22 0.00 0.00 54.13 53.17 1lie s LEU 86 Cb -0.03 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.63 1lie s LEU 86 CO 0.10 -0.40 -0.06 -1.81 -1.32 0.00 0.00 176.35 172.85 1lie s ASP 87 N 1.58 1.89 -1.60 3.68 1.01 0.07 -4.80 116.67 118.50 1lie s ASP 87 Ca 0.03 -0.24 -0.02 0.00 0.71 0.00 0.00 52.55 53.03 1lie s ASP 87 Cb -0.19 -0.72 0.00 0.00 1.01 0.00 0.00 42.92 43.02 1lie s ASP 87 CO 0.07 -0.11 0.17 0.61 0.21 0.00 0.00 175.17 176.12 1lie n GLY 88 N 4.76 -0.51 2.21 0.21 0.00 -1.26 -1.14 105.19 109.46 1lie n GLY 88 Ca -0.14 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1lie n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lie n GLY 89 N -1.11 0.71 3.43 -0.02 0.00 -1.26 -5.03 105.19 101.90 1lie n GLY 89 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1lie n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lie s ALA 90 N -2.74 2.50 -0.34 4.61 0.00 -0.29 -4.65 121.76 120.85 1lie s ALA 90 Ca 0.00 -1.37 -0.20 0.00 0.00 0.00 0.00 51.96 50.39 1lie s ALA 90 Cb 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 1lie s ALA 90 CO 0.00 0.56 0.61 -0.51 0.00 0.00 0.00 175.76 176.42 1lie s LEU 91 N -1.92 4.25 -0.29 0.00 1.43 0.04 -0.75 118.68 121.44 1lie s LEU 91 Ca 0.15 0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 1lie s LEU 91 Cb -0.10 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1lie s LEU 91 CO 0.07 -0.54 0.08 -0.69 0.23 0.00 0.00 176.35 175.50 1lie s VAL 92 N 2.62 4.07 -0.12 -1.59 1.01 0.13 -0.92 120.40 125.60 1lie s VAL 92 Ca 0.23 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1lie s VAL 92 Cb -0.15 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1lie s VAL 92 CO 0.14 0.12 -0.04 -1.58 0.00 0.00 0.00 175.10 173.74 1lie s GLN 93 N 1.53 3.32 -0.11 2.72 0.74 0.20 -1.50 119.66 126.56 1lie s GLN 93 Ca 0.03 -0.51 0.03 0.00 0.05 0.00 0.00 55.36 54.97 1lie s GLN 93 Cb -0.17 -2.81 0.01 0.00 1.10 0.00 0.00 33.01 31.14 1lie s GLN 93 CO 0.03 0.43 -0.20 0.08 -0.55 0.00 0.00 175.29 175.08 1lie s VAL 94 N -0.16 1.83 -0.11 1.34 1.01 -0.53 -0.42 120.40 123.36 1lie s VAL 94 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1lie s VAL 94 Cb -0.13 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1lie s VAL 94 CO 0.02 0.51 -0.12 -1.10 0.00 0.00 0.00 175.10 174.41 1lie s GLN 95 N 0.60 3.22 -0.05 2.72 -0.21 -0.48 -1.95 119.66 123.52 1lie s GLN 95 Ca -0.14 -0.67 0.05 0.00 0.02 0.00 0.00 55.36 54.62 1lie s GLN 95 Cb -0.17 -2.60 -0.01 0.00 1.00 0.00 0.00 33.01 31.24 1lie s GLN 95 CO 0.04 0.31 -0.19 0.15 -2.12 0.00 0.00 175.29 173.48 1lie s LYS 96 N 0.10 2.00 -0.28 2.91 1.02 -0.10 -1.67 119.74 123.72 1lie s LYS 96 Ca -0.05 -0.69 -0.22 0.00 0.02 0.00 0.00 55.97 55.03 1lie s LYS 96 Cb -0.15 -1.72 0.08 0.00 -0.52 0.00 0.00 37.83 35.53 1lie s LYS 96 CO 0.04 0.28 0.77 1.67 -0.92 0.00 0.00 175.35 177.19 1lie s TRP 97 N -0.01 -0.82 -1.57 3.18 -2.14 -0.63 -1.20 118.94 115.76 1lie s TRP 97 Ca -0.04 1.84 -0.09 0.00 2.66 0.00 0.00 56.10 60.47 1lie s TRP 97 Cb -0.12 0.39 0.08 0.00 -3.10 0.00 0.00 33.47 30.72 1lie s TRP 97 CO 0.03 -0.40 0.53 -0.25 -2.66 0.00 0.00 176.95 174.20 1lie n ASP 98 N 3.16 -1.47 0.00 -2.66 8.00 -1.26 -0.39 116.55 121.93 1lie n ASP 98 Ca -0.16 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1lie n ASP 98 Cb 0.56 -2.69 0.00 0.00 -0.02 0.00 0.00 41.12 38.97 1lie n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lie n GLY 99 N -1.78 0.64 3.75 0.44 0.00 -1.26 -5.00 105.19 101.97 1lie n GLY 99 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1lie n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lie s LYS 100 N -0.31 2.42 0.00 1.61 1.02 0.48 -5.14 119.74 119.82 1lie s LYS 100 Ca 0.00 -1.50 -0.19 0.00 0.02 0.00 0.00 55.97 54.30 1lie s LYS 100 Cb 0.00 -2.22 0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1lie s LYS 100 CO 0.00 0.12 0.42 -1.54 -0.92 0.00 0.00 175.35 173.43 1lie s SER 101 N -3.86 -0.31 0.00 2.83 1.04 -1.26 -1.60 113.70 110.54 1lie s SER 101 Ca 0.38 0.16 -0.05 0.00 0.48 0.00 0.00 55.95 56.91 1lie s SER 101 Cb -0.03 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.48 1lie s SER 101 CO 0.23 -0.57 0.10 0.28 0.98 0.00 0.00 173.24 174.26 1lie s THR 102 N -1.79 0.09 -0.08 2.02 -1.32 -0.67 -4.73 115.64 109.15 1lie s THR 102 Ca -0.10 -0.71 0.03 0.00 -1.21 0.00 0.00 61.69 59.71 1lie s THR 102 Cb -0.02 -0.38 -0.02 0.00 -1.51 0.00 0.00 72.50 70.57 1lie s THR 102 CO 0.02 -0.39 -0.17 -0.89 -2.21 0.00 0.00 174.62 170.98 1lie s THR 103 N -1.34 2.75 -0.19 5.08 2.01 -0.93 -1.38 115.64 121.64 1lie s THR 103 Ca -0.14 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1lie s THR 103 Cb -0.08 -2.08 0.04 0.00 0.01 0.00 0.00 72.50 70.39 1lie s THR 103 CO 0.01 0.57 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.79 1lie s ILE 104 N -0.24 1.49 -0.14 1.82 1.01 0.44 -0.74 121.20 124.84 1lie s ILE 104 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 1lie s ILE 104 Cb -0.13 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1lie s ILE 104 CO 0.03 0.14 0.00 -0.54 0.00 0.00 0.00 174.94 174.57 1lie s LYS 105 N 1.46 3.53 -0.19 2.79 1.02 0.63 -0.63 119.74 128.34 1lie s LYS 105 Ca -0.01 -0.43 -0.00 0.00 0.02 0.00 0.00 55.97 55.55 1lie s LYS 105 Cb -0.16 -2.96 0.01 0.00 -0.52 0.00 0.00 37.83 34.20 1lie s LYS 105 CO -0.08 0.41 -0.16 1.03 -0.92 0.00 0.00 175.35 175.63 1lie s ARG 106 N -0.06 3.07 0.10 1.68 0.52 -0.10 -0.53 118.95 123.63 1lie s ARG 106 Ca 0.04 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 1lie s ARG 106 Cb -0.13 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.61 1lie s ARG 106 CO 0.02 -0.22 0.02 -1.59 0.02 0.00 0.00 175.30 173.55 1lie s LYS 107 N 1.33 0.81 -0.03 3.54 -2.85 -0.09 -0.78 119.74 121.68 1lie s LYS 107 Ca 0.05 -1.36 -0.12 0.00 -1.00 0.00 0.00 55.97 53.54 1lie s LYS 107 Cb -0.14 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 35.81 1lie s LYS 107 CO -0.10 -0.20 0.33 1.03 0.10 0.00 0.00 175.35 176.51 1lie s ARG 108 N -4.00 3.78 -0.26 1.78 1.81 -1.26 -0.21 118.95 120.58 1lie s ARG 108 Ca 0.18 0.26 -0.04 0.00 -1.72 0.00 0.00 55.73 54.40 1lie s ARG 108 Cb 0.08 -3.21 0.09 0.00 -0.45 0.00 0.00 34.95 31.46 1lie s ARG 108 CO -0.03 0.71 0.12 0.34 -0.68 0.00 0.00 175.30 175.77 1lie s ASP 109 N -1.08 3.28 1.71 0.23 -1.08 -0.26 -4.89 116.67 114.58 1lie s ASP 109 Ca 0.21 -1.14 0.00 0.00 -0.52 0.00 0.00 52.55 51.10 1lie s ASP 109 Cb -0.15 -0.33 0.00 0.00 -1.46 0.00 0.00 42.92 40.98 1lie s ASP 109 CO 0.11 -0.42 0.00 0.61 0.52 0.00 0.00 175.17 175.99 1lie n GLY 110 N 5.25 3.33 1.19 2.66 0.00 -1.26 -0.98 105.19 115.37 1lie n GLY 110 Ca -0.06 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1lie n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lie n ASP 111 N 7.61 3.51 -4.92 1.61 5.75 -1.26 -4.96 116.55 123.90 1lie n ASP 111 Ca 0.00 -1.99 -0.20 0.00 -0.01 0.00 0.00 54.79 52.59 1lie n ASP 111 Cb 0.00 -0.30 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 1lie n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1lie s LYS 112 N -1.39 2.85 -0.17 0.11 -0.14 -0.15 -4.50 119.74 116.35 1lie s LYS 112 Ca 0.41 -1.22 0.01 0.00 -1.36 0.00 0.00 55.97 53.82 1lie s LYS 112 Cb 0.23 -2.62 0.02 0.00 -1.68 0.00 0.00 37.83 33.78 1lie s LYS 112 CO 0.32 0.01 -0.20 -1.17 -0.76 0.00 0.00 175.35 173.55 1lie s LEU 113 N -4.11 2.08 -0.13 3.17 0.20 -0.25 -1.10 118.68 118.54 1lie s LEU 113 Ca 0.45 -0.62 -0.03 0.00 0.69 0.00 0.00 54.13 54.62 1lie s LEU 113 Cb -0.07 -1.44 -0.03 0.00 -0.43 0.00 0.00 46.19 44.22 1lie s LEU 113 CO 0.29 0.02 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.64 1lie s VAL 114 N 1.18 3.96 -0.18 1.68 1.01 0.70 -0.27 120.40 128.49 1lie s VAL 114 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1lie s VAL 114 Cb -0.14 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1lie s VAL 114 CO -0.10 0.53 -0.14 -0.69 0.00 0.00 0.00 175.10 174.70 1lie s VAL 115 N -0.05 2.68 0.50 2.92 1.01 0.21 -0.91 120.40 126.76 1lie s VAL 115 Ca 0.02 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1lie s VAL 115 Cb -0.13 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1lie s VAL 115 CO 0.02 0.50 0.16 1.21 0.00 0.00 0.00 175.10 176.99 1lie n GLU 116 N 4.37 0.78 0.00 2.72 2.13 0.31 -0.80 120.64 130.15 1lie n GLU 116 Ca -0.19 -3.42 0.00 0.00 0.66 0.00 0.00 57.16 54.20 1lie n GLU 116 Cb 0.51 0.71 0.00 0.00 0.27 0.00 0.00 31.44 32.93 1lie n GLU 116 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1lie n VAL 118 N -1.41 0.00 -3.58 6.31 0.31 0.08 -0.27 118.33 119.77 1lie n VAL 118 Ca -0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.97 1lie n VAL 118 Cb 0.61 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.38 1lie n VAL 118 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1lie s MET 119 N -0.02 0.10 -1.31 5.55 1.75 -0.28 -2.19 119.30 122.89 1lie s MET 119 Ca 0.00 0.02 -0.11 0.00 -1.25 0.00 0.00 55.69 54.35 1lie s MET 119 Cb 0.00 -1.61 0.00 0.00 2.84 0.00 0.00 34.83 36.07 1lie s MET 119 CO 0.00 -0.66 0.54 1.63 -0.65 0.00 0.00 175.02 175.88 1lie n LYS 120 N 5.29 -2.10 0.00 4.11 5.02 -1.26 -1.19 118.16 128.03 1lie n LYS 120 Ca -0.06 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1lie n LYS 120 Cb 0.49 -4.09 0.00 0.00 -0.02 0.00 0.00 35.03 31.42 1lie n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lie n GLY 121 N -1.95 2.82 3.67 0.72 0.00 -1.26 -4.99 105.19 104.21 1lie n GLY 121 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1lie n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lie s VAL 122 N -1.11 4.59 -0.10 1.61 1.01 -0.33 -5.03 120.40 121.04 1lie s VAL 122 Ca 0.00 1.89 0.03 0.00 0.00 0.00 0.00 61.98 63.90 1lie s VAL 122 Cb 0.00 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1lie s VAL 122 CO 0.00 -0.08 -0.19 0.42 0.00 0.00 0.00 175.10 175.24 1lie s THR 123 N 2.69 2.50 -0.03 3.92 -4.23 -1.26 -1.13 115.64 118.10 1lie s THR 123 Ca 0.49 -0.87 0.05 0.00 -1.18 0.00 0.00 61.69 60.17 1lie s THR 123 Cb -0.19 -1.99 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 1lie s THR 123 CO 0.14 0.55 -0.17 -0.55 -0.54 0.00 0.00 174.62 174.05 1lie s SER 124 N 0.19 3.82 -0.10 3.99 0.15 -1.26 -4.73 113.70 115.76 1lie s SER 124 Ca -0.12 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.26 1lie s SER 124 Cb -0.16 -0.72 0.02 0.00 -1.71 0.00 0.00 66.02 63.45 1lie s SER 124 CO 0.06 0.33 -0.11 -0.89 1.20 0.00 0.00 173.24 173.83 1lie s THR 125 N -0.75 1.23 -0.11 6.45 2.01 -0.59 -4.25 115.64 119.64 1lie s THR 125 Ca 0.12 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.68 1lie s THR 125 Cb -0.10 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.24 1lie s THR 125 CO 0.01 0.39 -0.19 -0.13 -0.69 0.00 0.00 174.62 174.02 1lie s ARG 126 N 1.25 2.55 -0.14 4.92 0.52 0.02 -0.64 118.95 127.43 1lie s ARG 126 Ca -0.03 -0.69 -0.05 0.00 -0.52 0.00 0.00 55.73 54.44 1lie s ARG 126 Cb -0.14 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.25 1lie s ARG 126 CO -0.04 0.03 0.03 0.08 0.02 0.00 0.00 175.30 175.42 1lie s VAL 127 N 0.71 4.52 0.09 3.52 1.01 -0.25 -0.62 120.40 129.38 1lie s VAL 127 Ca -0.12 -0.15 0.10 0.00 0.00 0.00 0.00 61.98 61.81 1lie s VAL 127 Cb -0.16 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1lie s VAL 127 CO 0.02 0.54 -0.26 -0.31 0.00 0.00 0.00 175.10 175.09 1lie s TYR 128 N -0.24 2.21 0.19 5.22 1.51 0.63 -0.39 117.35 126.47 1lie s TYR 128 Ca 0.07 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.81 1lie s TYR 128 Cb -0.12 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 1lie s TYR 128 CO 0.02 0.24 -0.17 -1.83 -1.11 0.00 0.00 175.55 172.70 1lie s GLU 129 N -1.73 1.31 0.35 -0.62 -1.05 -0.44 -1.09 118.70 115.43 1lie s GLU 129 Ca 0.12 -1.49 -0.29 0.00 -0.15 0.00 0.00 54.97 53.16 1lie s GLU 129 Cb -0.10 -1.25 -0.11 0.00 -0.44 0.00 0.00 34.13 32.24 1lie s GLU 129 CO 0.04 0.23 1.44 1.03 0.95 0.00 0.00 175.26 178.96 1lie s ARG 130 N -3.18 4.19 0.00 -4.83 0.52 -1.26 -0.31 118.95 114.07 1lie s ARG 130 Ca 0.19 2.46 0.32 0.00 -0.52 0.00 0.00 55.73 58.18 1lie s ARG 130 Cb -0.04 -3.01 1.91 0.00 0.52 0.00 0.00 34.95 34.33 1lie s ARG 130 CO 0.07 -0.44 2.23 0.00 0.02 0.00 0.00 175.30 177.18