#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vil n GLU 2 N 0.00 -0.86 -0.53 5.55 0.00 -1.26 -4.67 120.64 118.87 2vil n GLU 2 Ca 0.00 0.06 0.44 0.00 0.00 0.00 0.00 57.16 57.66 2vil n GLU 2 Cb 0.00 -2.85 0.76 0.00 0.00 0.00 0.00 31.44 29.35 2vil n GLU 2 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 2vil h LEU 3 N -1.41 0.06 -8.24 -1.84 -0.00 -1.97 -3.32 115.31 98.58 2vil h LEU 3 Ca -0.56 0.03 -0.07 0.00 -0.00 0.00 0.00 57.88 57.27 2vil h LEU 3 Cb 1.18 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.85 2vil h LEU 3 CO 0.57 -0.03 0.20 -0.55 -0.00 0.00 0.00 178.44 178.63 2vil s SER 4 N -4.45 4.03 0.00 0.17 0.15 -1.26 -2.49 113.70 109.85 2vil s SER 4 Ca -0.06 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2vil s SER 4 Cb 0.26 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2vil s SER 4 CO 0.85 -3.88 0.00 1.17 1.20 0.00 0.00 173.24 172.58 2vil n LYS 5 N 8.65 0.00 0.00 5.44 4.81 -1.25 -4.88 118.16 130.92 2vil n LYS 5 Ca 0.44 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.99 2vil n LYS 5 Cb 0.45 0.00 0.54 0.00 0.02 0.00 0.00 35.03 36.04 2vil n LYS 5 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2vil n LYS 6 N 0.00 0.25 0.00 1.64 4.76 -1.25 -2.41 118.16 121.15 2vil n LYS 6 Ca 0.00 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2vil n LYS 6 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 2vil n LYS 6 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2vil n VAL 7 N -1.33 0.00 -0.31 -0.18 0.31 -1.04 -4.58 118.33 111.20 2vil n VAL 7 Ca 0.09 0.24 0.35 0.00 -0.01 0.00 0.00 64.34 65.01 2vil n VAL 7 Cb 0.19 -1.20 0.75 0.00 -0.91 0.00 0.00 33.84 32.67 2vil n VAL 7 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2vil h THR 8 N 0.00 0.39 -0.93 2.52 1.35 -1.69 -0.34 112.91 114.21 2vil h THR 8 Ca 0.00 0.00 0.23 0.00 -0.55 0.00 0.00 66.41 66.09 2vil h THR 8 Cb 0.00 0.40 -0.17 0.00 -1.73 0.00 0.00 68.15 66.65 2vil h THR 8 CO 0.00 0.00 -0.05 1.23 -0.25 0.00 0.00 175.52 176.45 2vil h GLY 9 N 0.00 1.01 0.00 5.82 0.00 -1.72 -3.40 103.07 104.78 2vil h GLY 9 Ca 0.55 0.19 0.00 0.00 0.00 0.00 0.00 47.33 48.07 2vil h GLY 9 CO -0.01 -0.42 0.00 0.28 0.00 0.00 0.00 176.54 176.39 2vil n LYS 10 N -5.49 0.00 0.00 4.80 5.02 -0.28 -5.03 118.16 117.19 2vil n LYS 10 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2vil n LYS 10 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.63 2vil n LYS 10 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2vil n LEU 11 N -2.94 0.00 0.00 -0.35 4.77 -0.39 -4.37 117.00 113.72 2vil n LEU 11 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2vil n LEU 11 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2vil n LEU 11 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.53 2vil n ASP 12 N 2.14 0.00 -0.81 -1.43 8.00 -1.26 -4.96 116.55 118.23 2vil n ASP 12 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2vil n ASP 12 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2vil n ASP 12 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2vil n LYS 13 N -0.50 -1.74 -3.80 -1.24 3.00 -1.26 -4.74 118.16 107.87 2vil n LYS 13 Ca 0.00 1.42 -0.31 0.00 -0.00 0.00 0.00 58.31 59.42 2vil n LYS 13 Cb 0.00 -1.35 0.02 0.00 0.00 0.00 0.00 35.03 33.70 2vil n LYS 13 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2vil n THR 14 N 0.24 -4.72 -3.21 3.15 -2.24 -1.26 -4.95 114.28 101.29 2vil n THR 14 Ca 0.00 -0.79 -0.01 0.00 -2.27 0.00 0.00 64.05 60.98 2vil n THR 14 Cb 0.00 -3.64 -0.02 0.00 -2.10 0.00 0.00 70.33 64.57 2vil n THR 14 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2vil s THR 15 N -3.61 -0.87 -1.17 4.28 2.01 -1.26 -5.08 115.64 109.94 2vil s THR 15 Ca 0.34 -0.10 -0.21 0.00 0.31 0.00 0.00 61.69 62.04 2vil s THR 15 Cb -0.13 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.41 2vil s THR 15 CO 0.88 -0.09 1.72 -2.16 -0.69 0.00 0.00 174.62 174.28 2vil s PRO 16 N 2.73 3.46 0.00 4.92 0.04 -1.26 -4.48 135.00 140.41 2vil s PRO 16 Ca 0.11 -1.44 0.00 0.00 0.04 0.00 0.00 61.00 59.71 2vil s PRO 16 Cb -0.12 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 29.04 2vil s PRO 16 CO -0.26 -2.69 0.00 0.41 0.04 0.00 0.00 177.00 174.50 2vil n GLY 17 N 6.01 2.55 3.54 0.56 0.00 -1.23 -5.00 105.19 111.63 2vil n GLY 17 Ca 0.43 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 2vil n GLY 17 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2vil s ILE 18 N -0.49 0.00 0.03 -0.61 -1.16 -1.26 -1.19 121.20 116.52 2vil s ILE 18 Ca 0.00 -0.02 0.08 0.00 -0.51 0.00 0.00 60.65 60.20 2vil s ILE 18 Cb 0.00 -0.97 -0.02 0.00 0.61 0.00 0.00 42.46 42.08 2vil s ILE 18 CO 0.00 -0.01 -0.23 -1.58 -2.81 0.00 0.00 174.94 170.31 2vil s GLN 19 N -0.53 1.62 0.48 3.50 0.74 -0.58 -4.82 119.66 120.07 2vil s GLN 19 Ca -0.06 -0.96 0.05 0.00 0.05 0.00 0.00 55.36 54.43 2vil s GLN 19 Cb -0.02 -1.71 -0.01 0.00 1.10 0.00 0.00 33.01 32.36 2vil s GLN 19 CO 0.06 0.45 0.19 0.42 -0.55 0.00 0.00 175.29 175.85 2vil s ILE 20 N -0.74 1.73 -0.11 -2.34 1.01 -0.89 0.38 121.20 120.24 2vil s ILE 20 Ca 0.09 -1.74 -0.02 0.00 0.00 0.00 0.00 60.65 58.99 2vil s ILE 20 Cb -0.09 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 39.94 2vil s ILE 20 CO 0.01 0.00 0.00 0.26 0.00 0.00 0.00 174.94 175.22 2vil s TRP 21 N -2.74 0.82 -0.03 3.97 0.51 0.24 0.44 118.94 122.15 2vil s TRP 21 Ca 0.28 -0.39 -0.30 0.00 -2.12 0.00 0.00 56.10 53.57 2vil s TRP 21 Cb 0.02 -0.89 -0.03 0.00 -0.81 0.00 0.00 33.47 31.76 2vil s TRP 21 CO 0.16 -0.42 1.01 -0.98 -0.51 0.00 0.00 176.95 176.21 2vil s ARG 22 N 1.92 4.50 -0.47 4.98 1.70 0.05 -2.07 118.95 129.57 2vil s ARG 22 Ca 0.04 1.44 0.04 0.00 -0.47 0.00 0.00 55.73 56.77 2vil s ARG 22 Cb -0.13 -3.48 0.62 0.00 -0.57 0.00 0.00 34.95 31.38 2vil s ARG 22 CO -0.06 -0.16 1.88 -0.89 -1.08 0.00 0.00 175.30 174.99 2vil n ILE 23 N 4.13 3.20 -0.61 4.99 -0.00 -0.29 -0.28 119.36 130.50 2vil n ILE 23 Ca 0.07 -2.19 -0.31 0.00 -0.00 0.00 0.00 62.75 60.32 2vil n ILE 23 Cb 0.50 -0.57 0.20 0.00 -0.00 0.00 0.00 39.64 39.77 2vil n ILE 23 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2vil n GLU 24 N -1.11 -1.78 -2.16 0.38 0.28 -1.26 -1.70 120.64 113.29 2vil n GLU 24 Ca 0.58 -0.49 -0.03 0.00 -0.16 0.00 0.00 57.16 57.05 2vil n GLU 24 Cb 1.45 -1.89 -0.00 0.00 1.43 0.00 0.00 31.44 32.43 2vil n GLU 24 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2vil n ASN 25 N -2.83 -1.45 -3.73 -1.84 0.23 -1.26 -0.34 115.26 104.04 2vil n ASN 25 Ca 0.02 0.35 -0.29 0.00 -0.53 0.00 0.00 54.58 54.13 2vil n ASN 25 Cb 0.59 -1.43 0.03 0.00 -2.08 0.00 0.00 39.78 36.89 2vil n ASN 25 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 2vil n MET 26 N -2.25 -2.07 0.00 -3.83 2.81 -0.69 -4.91 117.12 106.18 2vil n MET 26 Ca -0.03 0.47 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 2vil n MET 26 Cb 0.43 -4.35 0.00 0.00 -0.71 0.00 0.00 33.22 28.58 2vil n MET 26 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2vil n GLU 27 N -4.22 0.00 0.00 0.03 -0.58 0.54 -5.09 120.64 111.32 2vil n GLU 27 Ca -0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 2vil n GLU 27 Cb 0.62 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.49 2vil n GLU 27 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2vil n MET 28 N 0.00 0.00 -3.58 3.49 2.81 -1.23 -4.39 117.12 114.23 2vil n MET 28 Ca 0.00 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.73 2vil n MET 28 Cb 0.00 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.44 2vil n MET 28 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2vil s VAL 29 N -1.05 0.00 -1.06 2.03 1.01 0.61 -2.98 120.40 118.96 2vil s VAL 29 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 2vil s VAL 29 Cb 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.45 2vil s VAL 29 CO 0.00 -0.02 1.63 -2.16 0.00 0.00 0.00 175.10 174.55 2vil s PRO 30 N -0.70 3.40 -0.27 2.72 0.04 -1.26 -0.77 135.00 138.17 2vil s PRO 30 Ca -0.08 -1.14 -0.29 0.00 0.04 0.00 0.00 61.00 59.54 2vil s PRO 30 Cb -0.02 -5.33 -0.02 0.00 0.04 0.00 0.00 34.50 29.17 2vil s PRO 30 CO 0.07 -2.55 1.64 0.08 0.04 0.00 0.00 177.00 176.27 2vil s VAL 31 N 6.17 3.67 0.00 -0.36 1.01 0.17 -4.94 120.40 126.12 2vil s VAL 31 Ca 0.53 0.73 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2vil s VAL 31 Cb -0.01 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2vil s VAL 31 CO -0.03 -0.38 0.00 -0.81 0.00 0.00 0.00 175.10 173.88 2vil n PRO 32 N 7.90 1.02 0.08 2.72 -0.04 -1.26 -2.10 135.00 143.31 2vil n PRO 32 Ca 0.20 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 2vil n PRO 32 Cb 0.46 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.04 2vil n PRO 32 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2vil h THR 33 N -0.16 0.00 -0.32 0.52 1.35 -1.94 -3.30 112.91 109.05 2vil h THR 33 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2vil h THR 33 Cb 0.00 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 2vil h THR 33 CO 0.00 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 177.56 2vil n LYS 34 N -2.30 2.78 0.00 4.72 2.85 -1.26 -3.89 118.16 121.06 2vil n LYS 34 Ca 0.02 -1.59 0.00 0.00 -1.05 0.00 0.00 58.31 55.69 2vil n LYS 34 Cb 0.47 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 33.09 2vil n LYS 34 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2vil n SER 35 N 0.40 0.00 -4.85 -5.58 7.64 -1.24 -5.09 113.62 104.89 2vil n SER 35 Ca 0.14 -1.00 -0.34 0.00 1.01 0.00 0.00 58.87 58.68 2vil n SER 35 Cb 0.65 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.79 2vil n SER 35 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2vil s TYR 36 N 0.00 3.54 0.00 1.43 1.13 -1.25 -4.47 117.35 117.74 2vil s TYR 36 Ca 0.00 1.00 0.00 0.00 -1.41 0.00 0.00 57.07 56.66 2vil s TYR 36 Cb 0.00 -2.33 0.00 0.00 -1.10 0.00 0.00 41.96 38.53 2vil s TYR 36 CO 0.00 0.38 0.00 0.41 -2.51 0.00 0.00 175.55 173.83 2vil n GLY 37 N 0.49 1.28 2.60 5.49 0.00 -1.26 -4.91 105.19 108.88 2vil n GLY 37 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2vil n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vil s ASN 38 N -0.23 2.82 -0.13 1.61 -0.87 -1.26 -0.76 114.94 116.12 2vil s ASN 38 Ca 0.00 -0.88 0.03 0.00 -1.57 0.00 0.00 52.86 50.44 2vil s ASN 38 Cb 0.00 -0.31 0.01 0.00 -0.02 0.00 0.00 41.25 40.92 2vil s ASN 38 CO 0.00 -0.38 -0.22 0.72 -2.57 0.00 0.00 177.10 174.65 2vil s PHE 39 N 2.10 2.63 -0.20 2.20 -0.12 -1.00 -4.92 117.98 118.67 2vil s PHE 39 Ca 0.04 -1.22 -0.39 0.00 -0.05 0.00 0.00 56.93 55.31 2vil s PHE 39 Cb -0.16 -1.78 -0.16 0.00 -0.63 0.00 0.00 43.02 40.29 2vil s PHE 39 CO -0.19 -0.54 1.69 0.66 -0.05 0.00 0.00 175.22 176.80 2vil n TYR 40 N 3.86 1.99 0.25 3.49 4.02 -1.26 -3.27 117.16 126.24 2vil n TYR 40 Ca -0.20 0.51 0.03 0.00 -0.01 0.00 0.00 57.90 58.24 2vil n TYR 40 Cb 0.52 -2.45 0.14 0.00 -0.02 0.00 0.00 39.34 37.53 2vil n TYR 40 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2vil n GLU 41 N 4.99 0.05 -2.65 -0.72 0.28 -0.02 -3.08 120.64 119.48 2vil n GLU 41 Ca 0.25 0.31 -0.33 0.00 -0.16 0.00 0.00 57.16 57.23 2vil n GLU 41 Cb 0.15 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.52 2vil n GLU 41 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2vil n GLY 42 N -0.81 5.83 0.00 -1.84 0.00 -1.25 -3.09 105.19 104.03 2vil n GLY 42 Ca 0.02 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.36 2vil n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vil n ASP 43 N -0.26 2.67 -3.80 1.61 9.92 -0.02 -4.07 116.55 122.60 2vil n ASP 43 Ca 0.40 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.53 2vil n ASP 43 Cb 0.37 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.73 2vil n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2vil s TYR 45 N 0.20 0.70 -0.02 0.00 1.51 -0.72 -1.14 117.35 117.88 2vil s TYR 45 Ca -0.01 -0.79 -0.30 0.00 -1.01 0.00 0.00 57.07 54.96 2vil s TYR 45 Cb -0.02 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 2vil s TYR 45 CO -0.00 -0.65 1.03 0.08 -1.11 0.00 0.00 175.55 174.90 2vil s VAL 46 N 1.97 4.68 0.27 0.71 1.01 -0.88 -1.36 120.40 126.80 2vil s VAL 46 Ca 0.03 1.93 0.08 0.00 0.00 0.00 0.00 61.98 64.02 2vil s VAL 46 Cb -0.17 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2vil s VAL 46 CO -0.16 0.10 0.17 -0.22 0.00 0.00 0.00 175.10 175.00 2vil s LEU 47 N 1.35 3.66 -0.36 3.92 0.20 -0.66 0.81 118.68 127.60 2vil s LEU 47 Ca 0.52 -0.37 0.04 0.00 0.69 0.00 0.00 54.13 55.01 2vil s LEU 47 Cb -0.22 -2.20 0.16 0.00 -0.43 0.00 0.00 46.19 43.51 2vil s LEU 47 CO 0.25 -0.08 0.43 -0.22 -0.29 0.00 0.00 176.35 176.44 2vil s LEU 48 N -3.83 -0.50 -0.15 -0.68 2.96 0.16 -1.34 118.68 115.30 2vil s LEU 48 Ca 0.34 -1.16 -0.13 0.00 -0.22 0.00 0.00 54.13 52.95 2vil s LEU 48 Cb -0.07 0.94 -0.05 0.00 0.50 0.00 0.00 46.19 47.52 2vil s LEU 48 CO 0.24 -0.26 0.29 -0.55 -1.32 0.00 0.00 176.35 174.75 2vil s SER 49 N 1.76 6.44 0.13 3.68 0.15 -0.38 -1.52 113.70 123.96 2vil s SER 49 Ca 0.15 0.52 0.05 0.00 0.70 0.00 0.00 55.95 57.37 2vil s SER 49 Cb -0.12 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 2vil s SER 49 CO -0.10 0.13 0.07 -0.89 1.20 0.00 0.00 173.24 173.65 2vil s THR 50 N 0.33 4.28 -0.01 6.45 2.01 -0.33 0.14 115.64 128.51 2vil s THR 50 Ca 0.17 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 61.13 2vil s THR 50 Cb -0.13 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.26 2vil s THR 50 CO 0.04 -0.01 -0.02 -0.60 -0.69 0.00 0.00 174.62 173.35 2vil s ARG 51 N -2.75 0.22 0.74 4.92 3.52 0.12 -3.51 118.95 122.22 2vil s ARG 51 Ca 0.29 -0.05 -0.11 0.00 -0.13 0.00 0.00 55.73 55.73 2vil s ARG 51 Cb -0.11 -0.26 0.03 0.00 -1.56 0.00 0.00 34.95 33.05 2vil s ARG 51 CO 0.21 0.01 1.09 -1.59 -0.81 0.00 0.00 175.30 174.21 2vil s LYS 52 N 0.20 2.57 0.31 5.12 0.00 -1.26 0.76 119.74 127.44 2vil s LYS 52 Ca -0.02 0.64 -0.10 0.00 0.00 0.00 0.00 55.97 56.48 2vil s LYS 52 Cb -0.04 -1.97 0.04 0.00 0.00 0.00 0.00 37.83 35.86 2vil s LYS 52 CO -0.01 -1.28 0.59 0.25 0.00 0.00 0.00 175.35 174.91 2vil n THR 53 N -3.20 0.00 0.26 3.79 -2.24 -1.19 -4.78 114.28 106.92 2vil n THR 53 Ca 0.07 -0.86 0.03 0.00 -2.27 0.00 0.00 64.05 61.02 2vil n THR 53 Cb 0.56 0.79 0.17 0.00 -2.10 0.00 0.00 70.33 69.75 2vil n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vil n GLY 54 N -0.43 2.01 2.00 3.38 0.00 -1.26 -4.24 105.19 106.65 2vil n GLY 54 Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2vil n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2vil n SER 55 N 0.27 -0.01 0.00 1.61 2.88 -1.26 -5.13 113.62 111.98 2vil n SER 55 Ca 0.12 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2vil n SER 55 Cb 0.62 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 2vil n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2vil n GLY 56 N 1.36 0.50 0.79 0.46 0.00 -1.26 -5.19 105.19 101.86 2vil n GLY 56 Ca 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 2vil n GLY 56 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2vil n PHE 57 N 0.00 -0.88 -3.38 1.61 3.72 -1.26 -3.18 117.46 114.10 2vil n PHE 57 Ca 0.00 -0.50 -0.14 0.00 -0.05 0.00 0.00 57.45 56.77 2vil n PHE 57 Cb 0.00 0.15 -0.09 0.00 -0.94 0.00 0.00 39.48 38.61 2vil n PHE 57 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2vil s SER 58 N -1.48 1.04 0.51 4.37 0.15 0.23 -4.84 113.70 113.68 2vil s SER 58 Ca 0.06 -0.42 -0.07 0.00 0.70 0.00 0.00 55.95 56.21 2vil s SER 58 Cb -0.01 0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 2vil s SER 58 CO 0.04 -0.36 0.85 -0.31 1.20 0.00 0.00 173.24 174.66 2vil s TYR 59 N 2.44 3.57 -0.29 3.44 1.51 -1.24 0.14 117.35 126.92 2vil s TYR 59 Ca 0.10 0.97 -0.03 0.00 -1.01 0.00 0.00 57.07 57.09 2vil s TYR 59 Cb -0.14 -2.43 0.11 0.00 -0.11 0.00 0.00 41.96 39.39 2vil s TYR 59 CO -0.27 -0.36 0.16 -0.80 -1.11 0.00 0.00 175.55 173.17 2vil s ASN 60 N -4.00 3.17 -0.36 2.29 0.01 0.37 -1.51 114.94 114.90 2vil s ASN 60 Ca 0.50 -1.18 -0.19 0.00 -0.71 0.00 0.00 52.86 51.28 2vil s ASN 60 Cb -0.10 -0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.37 2vil s ASN 60 CO 0.45 -0.43 0.57 -0.63 -1.51 0.00 0.00 177.10 175.55 2vil s ILE 61 N 2.15 4.95 0.42 0.60 1.01 -0.15 -1.25 121.20 128.93 2vil s ILE 61 Ca 0.09 0.39 0.08 0.00 0.00 0.00 0.00 60.65 61.21 2vil s ILE 61 Cb -0.16 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 2vil s ILE 61 CO -0.36 -0.29 0.35 -1.00 0.00 0.00 0.00 174.94 173.64 2vil s HIS 62 N 2.54 2.68 -0.21 3.97 3.76 -0.45 -1.37 115.29 126.22 2vil s HIS 62 Ca 0.21 -0.51 -0.04 0.00 -0.15 0.00 0.00 55.06 54.57 2vil s HIS 62 Cb -0.15 -2.14 0.08 0.00 1.11 0.00 0.00 32.58 31.48 2vil s HIS 62 CO 0.14 -0.08 0.14 1.52 -0.85 0.00 0.00 174.74 175.61 2vil s TYR 63 N -2.50 0.09 0.12 1.40 1.13 -0.70 -1.65 117.35 115.25 2vil s TYR 63 Ca 0.47 -0.33 -0.27 0.00 -1.41 0.00 0.00 57.07 55.52 2vil s TYR 63 Cb -0.02 -0.66 -0.07 0.00 -1.10 0.00 0.00 41.96 40.11 2vil s TYR 63 CO 0.27 -0.63 0.86 -0.46 -2.51 0.00 0.00 175.55 173.08 2vil s TRP 64 N 2.18 3.83 -0.56 -3.49 -0.00 -0.47 -1.75 118.94 118.69 2vil s TRP 64 Ca 0.05 1.68 0.06 0.00 -0.00 0.00 0.00 56.10 57.90 2vil s TRP 64 Cb -0.16 -2.91 0.31 0.00 -0.00 0.00 0.00 33.47 30.71 2vil s TRP 64 CO -0.18 0.33 0.84 1.28 -0.00 0.00 0.00 176.95 179.22 2vil n LEU 65 N 2.36 3.51 -4.52 5.86 7.99 -0.61 -1.76 117.00 129.84 2vil n LEU 65 Ca -0.01 -5.46 -0.27 0.00 -0.01 0.00 0.00 56.01 50.26 2vil n LEU 65 Cb 0.49 -0.34 -0.15 0.00 -0.11 0.00 0.00 43.42 43.31 2vil n LEU 65 CO 0.49 2.25 1.94 0.61 -1.51 0.00 0.00 177.39 181.16 2vil n GLY 66 N 0.24 -0.34 3.14 -0.72 0.00 0.27 -4.09 105.19 103.69 2vil n GLY 66 Ca 0.29 0.43 -0.10 0.00 0.00 0.00 0.00 46.02 46.64 2vil n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vil n LYS 67 N 7.34 0.00 0.00 1.61 3.00 -1.18 -0.84 118.16 128.09 2vil n LYS 67 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 2vil n LYS 67 Cb 0.22 -0.97 0.00 0.00 0.00 0.00 0.00 35.03 34.28 2vil n LYS 67 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2vil n ASN 68 N 4.82 0.00 -3.42 3.14 4.13 -1.26 -4.80 115.26 117.87 2vil n ASN 68 Ca 0.30 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.42 2vil n ASN 68 Cb 0.33 0.14 0.14 0.00 -1.54 0.00 0.00 39.78 38.84 2vil n ASN 68 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2vil n SER 69 N -1.70 -2.91 -1.86 6.41 3.41 -1.23 -4.94 113.62 110.80 2vil n SER 69 Ca 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 2vil n SER 69 Cb 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 2vil n SER 69 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2vil n SER 70 N -1.57 0.00 -0.09 4.04 3.41 -1.26 -4.90 113.62 113.24 2vil n SER 70 Ca 0.06 -0.90 -0.14 0.00 -0.26 0.00 0.00 58.87 57.63 2vil n SER 70 Cb 0.28 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 2vil n SER 70 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2vil h GLN 71 N 0.00 0.90 0.00 4.33 -0.00 -2.00 -2.63 115.11 115.71 2vil h GLN 71 Ca 0.00 -0.53 -0.07 0.00 -0.00 0.00 0.00 58.65 58.05 2vil h GLN 71 Cb 0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.52 2vil h GLN 71 CO 0.00 1.18 -0.33 0.38 -0.00 0.00 0.00 178.83 180.06 2vil h ASP 72 N 0.71 0.00 -0.30 0.06 2.03 -1.96 -2.37 116.42 114.58 2vil h ASP 72 Ca 0.03 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.23 2vil h ASP 72 Cb 1.09 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.59 2vil h ASP 72 CO 0.11 0.33 -0.21 -0.33 -1.03 0.00 0.00 179.24 178.11 2vil h GLU 73 N 0.00 0.68 -0.02 4.15 5.08 -1.88 0.94 114.58 123.52 2vil h GLU 73 Ca -0.00 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 57.96 2vil h GLU 73 Cb 0.97 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2vil h GLU 73 CO 0.04 0.93 -0.30 -0.56 -1.00 0.00 0.00 179.01 178.12 2vil h GLN 74 N 0.43 0.04 0.00 2.33 3.07 -1.36 -0.03 115.11 119.59 2vil h GLN 74 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.79 2vil h GLN 74 Cb 0.76 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.32 2vil h GLN 74 CO 0.06 0.34 -0.23 0.41 0.09 0.00 0.00 178.83 179.49 2vil n GLY 75 N -0.64 -1.49 0.14 0.06 0.00 -0.85 -2.39 105.19 100.01 2vil n GLY 75 Ca -0.02 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 2vil n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vil h ALA 76 N 2.76 0.06 0.03 4.61 0.00 0.27 -2.21 119.26 124.78 2vil h ALA 76 Ca 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 54.91 53.90 2vil h ALA 76 Cb 0.62 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2vil h ALA 76 CO 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 179.25 180.05 2vil h ALA 77 N 0.07 -0.04 -0.96 0.00 0.00 -1.35 -1.41 119.26 115.58 2vil h ALA 77 Ca -0.29 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.34 2vil h ALA 77 Cb 1.96 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.71 2vil h ALA 77 CO 0.16 -0.20 0.63 0.00 0.00 0.00 0.00 179.25 179.84 2vil h ALA 78 N 0.26 1.24 -0.58 0.00 0.00 -1.63 -1.05 119.26 117.50 2vil h ALA 78 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2vil h ALA 78 Cb 0.61 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2vil h ALA 78 CO 0.01 0.55 0.21 0.82 0.00 0.00 0.00 179.25 180.84 2vil h ILE 79 N 1.25 1.23 0.00 0.00 5.03 -1.39 0.11 117.51 123.74 2vil h ILE 79 Ca 0.37 -0.74 -0.01 0.00 -0.12 0.00 0.00 64.86 64.35 2vil h ILE 79 Cb -0.07 0.63 -0.00 0.00 -3.03 0.00 0.00 36.82 34.35 2vil h ILE 79 CO -0.10 0.29 -0.04 1.88 -0.68 0.00 0.00 178.15 179.49 2vil h TYR 80 N 0.81 0.00 0.00 1.37 -1.99 -0.30 0.16 116.97 117.01 2vil h TYR 80 Ca 0.19 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.78 2vil h TYR 80 Cb 0.23 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 2vil h TYR 80 CO 0.01 0.04 -0.82 1.15 -0.00 0.00 0.00 178.16 178.54 2vil h THR 81 N 0.00 0.96 -0.13 -2.88 2.02 0.18 -2.66 112.91 110.40 2vil h THR 81 Ca -0.00 -2.43 -0.07 0.00 0.77 0.00 0.00 66.41 64.69 2vil h THR 81 Cb 0.14 2.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2vil h THR 81 CO 0.01 0.55 -0.18 0.74 0.37 0.00 0.00 175.52 177.00 2vil h THR 82 N 0.00 1.36 -0.33 3.16 2.02 0.17 -2.53 112.91 116.76 2vil h THR 82 Ca -0.05 -1.40 -0.11 0.00 0.77 0.00 0.00 66.41 65.63 2vil h THR 82 Cb 1.52 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.89 2vil h THR 82 CO 0.07 0.41 -0.22 1.56 0.37 0.00 0.00 175.52 177.71 2vil h GLN 83 N -0.04 0.73 -0.79 6.66 4.20 -1.45 -1.53 115.11 122.89 2vil h GLN 83 Ca 0.01 -0.35 0.12 0.00 0.06 0.00 0.00 58.65 58.50 2vil h GLN 83 Cb 0.74 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.46 2vil h GLN 83 CO 0.04 0.96 0.52 0.52 -0.67 0.00 0.00 178.83 180.20 2vil h MET 84 N 0.50 0.61 0.07 1.46 2.86 -1.49 0.53 114.93 119.47 2vil h MET 84 Ca 0.07 -0.04 -0.26 0.00 -2.06 0.00 0.00 59.70 57.41 2vil h MET 84 Cb 0.77 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.31 2vil h MET 84 CO 0.06 0.41 -1.10 0.22 1.06 0.00 0.00 176.91 177.55 2vil h ASP 85 N 0.63 0.62 -0.15 1.22 1.82 -1.21 -1.38 116.42 117.97 2vil h ASP 85 Ca 0.38 -0.55 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 2vil h ASP 85 Cb 0.60 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.41 2vil h ASP 85 CO -0.15 1.37 0.00 1.21 -1.61 0.00 0.00 179.24 180.07 2vil n GLU 86 N -3.71 1.51 0.00 0.28 2.13 -0.36 -2.26 120.64 118.23 2vil n GLU 86 Ca -0.09 -0.77 0.00 0.00 0.66 0.00 0.00 57.16 56.95 2vil n GLU 86 Cb 0.92 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 31.33 2vil n GLU 86 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2vil n TYR 87 N 0.04 0.00 1.36 4.31 4.01 0.17 -4.58 117.16 122.47 2vil n TYR 87 Ca 0.13 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.96 2vil n TYR 87 Cb 0.23 0.00 0.38 0.00 -0.31 0.00 0.00 39.34 39.64 2vil n TYR 87 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2vil n LEU 88 N -1.29 1.32 -0.03 7.72 4.77 -0.53 -4.85 117.00 124.11 2vil n LEU 88 Ca 0.00 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 2vil n LEU 88 Cb 0.00 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2vil n LEU 88 CO 0.00 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2vil n GLY 89 N 1.04 1.46 1.95 -0.72 0.00 -1.26 -4.14 105.19 103.52 2vil n GLY 89 Ca 0.15 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 2vil n GLY 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vil n SER 90 N 0.30 -2.28 -0.01 1.61 3.41 -0.96 -4.70 113.62 111.00 2vil n SER 90 Ca 0.00 0.24 0.10 0.00 -0.26 0.00 0.00 58.87 58.95 2vil n SER 90 Cb 0.08 -2.19 -0.14 0.00 -0.26 0.00 0.00 64.21 61.70 2vil n SER 90 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2vil n VAL 91 N -2.15 0.00 -1.89 -3.33 0.24 -1.26 -4.96 118.33 104.98 2vil n VAL 91 Ca -0.08 -0.29 -0.29 0.00 -2.04 0.00 0.00 64.34 61.64 2vil n VAL 91 Cb 0.38 0.44 0.07 0.00 -1.47 0.00 0.00 33.84 33.26 2vil n VAL 91 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vil s ALA 92 N -3.22 2.74 0.38 2.33 0.00 -1.26 -3.64 121.76 119.09 2vil s ALA 92 Ca -0.01 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.43 2vil s ALA 92 Cb 0.14 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.29 2vil s ALA 92 CO 0.85 -1.47 0.11 0.28 0.00 0.00 0.00 175.76 175.53 2vil n VAL 93 N -3.20 0.00 -4.53 0.00 0.31 -0.57 -4.88 118.33 105.46 2vil n VAL 93 Ca 0.08 -1.66 -0.21 0.00 -0.01 0.00 0.00 64.34 62.53 2vil n VAL 93 Cb 0.59 0.15 -0.14 0.00 -0.91 0.00 0.00 33.84 33.53 2vil n VAL 93 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2vil s GLN 94 N -3.43 1.05 0.01 5.55 0.74 -1.25 -0.98 119.66 121.35 2vil s GLN 94 Ca 0.08 -0.59 -0.05 0.00 0.05 0.00 0.00 55.36 54.85 2vil s GLN 94 Cb -0.01 -1.03 -0.01 0.00 1.10 0.00 0.00 33.01 33.07 2vil s GLN 94 CO 0.05 0.27 0.09 -1.01 -0.55 0.00 0.00 175.29 174.14 2vil s HIS 95 N -0.51 0.11 -0.09 1.67 3.76 -0.47 -4.93 115.29 114.83 2vil s HIS 95 Ca 0.04 -0.27 -0.01 0.00 -0.15 0.00 0.00 55.06 54.67 2vil s HIS 95 Cb -0.06 -0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.50 2vil s HIS 95 CO 0.00 -0.26 -0.02 0.50 -0.85 0.00 0.00 174.74 174.11 2vil s ARG 96 N -1.46 3.04 0.11 1.40 3.52 -1.26 -1.72 118.95 122.57 2vil s ARG 96 Ca -0.15 -0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 54.92 2vil s ARG 96 Cb -0.08 -2.76 -0.01 0.00 -1.56 0.00 0.00 34.95 30.53 2vil s ARG 96 CO 0.01 0.62 0.17 -1.21 -0.81 0.00 0.00 175.30 174.08 2vil s GLU 97 N -0.65 0.90 0.00 5.12 0.41 -0.72 -4.85 118.70 118.91 2vil s GLU 97 Ca 0.10 -1.08 0.00 0.00 -0.41 0.00 0.00 54.97 53.58 2vil s GLU 97 Cb -0.12 0.33 0.00 0.00 -1.78 0.00 0.00 34.13 32.56 2vil s GLU 97 CO 0.02 -0.29 0.00 0.28 -0.49 0.00 0.00 175.26 174.79 2vil n VAL 98 N -0.08 0.00 1.41 2.63 0.31 -1.26 -1.57 118.33 119.77 2vil n VAL 98 Ca -0.12 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.30 2vil n VAL 98 Cb 0.62 0.00 0.55 0.00 -0.91 0.00 0.00 33.84 34.10 2vil n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vil n GLN 99 N 0.00 0.71 -0.47 5.55 10.64 -1.26 -2.73 117.38 129.81 2vil n GLN 99 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2vil n GLN 99 Cb 0.00 -1.41 0.00 0.00 -0.86 0.00 0.00 30.24 27.97 2vil n GLN 99 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2vil n GLY 100 N 0.37 0.62 0.00 2.61 0.00 -1.26 -4.84 105.19 102.69 2vil n GLY 100 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2vil n GLY 100 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2vil n HIS 101 N 0.00 0.00 0.37 1.61 8.25 -1.10 -4.64 115.22 119.71 2vil n HIS 101 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 2vil n HIS 101 Cb 0.61 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.91 2vil n HIS 101 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2vil n GLU 102 N -0.79 2.50 0.00 -0.41 -0.00 -1.17 -4.49 120.64 116.27 2vil n GLU 102 Ca 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 57.16 55.63 2vil n GLU 102 Cb 0.00 -1.61 0.00 0.00 -0.00 0.00 0.00 31.44 29.83 2vil n GLU 102 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2vil n SER 103 N 0.48 0.00 0.17 -1.84 3.41 -1.26 -2.06 113.62 112.51 2vil n SER 103 Ca 0.14 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.79 2vil n SER 103 Cb 0.55 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.70 2vil n SER 103 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2vil h GLU 104 N 0.00 0.00 -0.09 4.33 4.11 -1.98 -2.76 114.58 118.20 2vil h GLU 104 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2vil h GLU 104 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2vil h GLU 104 CO 0.00 0.44 0.03 1.15 0.07 0.00 0.00 179.01 180.70 2vil h THR 105 N 0.00 1.18 0.46 -1.06 2.02 -1.86 0.21 112.91 113.87 2vil h THR 105 Ca -0.00 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 2vil h THR 105 Cb 1.11 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2vil h THR 105 CO 0.06 0.15 -0.22 0.15 0.37 0.00 0.00 175.52 176.03 2vil h PHE 106 N -0.05 -0.58 -1.13 3.16 3.57 -1.46 -1.84 116.94 118.60 2vil h PHE 106 Ca 0.03 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 61.84 2vil h PHE 106 Cb 0.22 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 2vil h PHE 106 CO -0.00 -0.26 0.95 -0.09 -2.23 0.00 0.00 178.31 176.69 2vil h ARG 107 N -1.00 0.00 0.51 1.11 9.65 -1.50 1.08 114.38 124.24 2vil h ARG 107 Ca -0.06 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 2vil h ARG 107 Cb 0.58 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.16 2vil h ARG 107 CO 0.10 0.00 -0.25 0.00 2.80 0.00 0.00 179.97 182.63 2vil h ALA 108 N 1.16 -0.69 0.00 2.80 0.00 0.28 -0.45 119.26 122.35 2vil h ALA 108 Ca 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2vil h ALA 108 Cb 2.44 0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.50 2vil h ALA 108 CO -0.01 -0.87 0.00 0.66 0.00 0.00 0.00 179.25 179.03 2vil n TYR 109 N -5.37 0.00 -3.93 0.00 4.01 0.33 -4.26 117.16 107.93 2vil n TYR 109 Ca -0.12 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.31 2vil n TYR 109 Cb 0.29 -0.18 -0.14 0.00 -0.31 0.00 0.00 39.34 39.01 2vil n TYR 109 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2vil s PHE 110 N -2.36 3.28 -0.29 -0.72 0.40 0.10 -4.84 117.98 113.55 2vil s PHE 110 Ca 0.26 -3.10 0.01 0.00 -0.60 0.00 0.00 56.93 53.49 2vil s PHE 110 Cb 0.15 -2.88 0.31 0.00 0.51 0.00 0.00 43.02 41.11 2vil s PHE 110 CO 0.31 -0.78 1.71 1.17 0.70 0.00 0.00 175.22 178.33 2vil n LYS 111 N 3.29 1.76 0.00 0.44 3.00 -1.25 -4.42 118.16 120.98 2vil n LYS 111 Ca 0.05 -1.65 0.00 0.00 -0.00 0.00 0.00 58.31 56.71 2vil n LYS 111 Cb 0.34 -1.65 0.00 0.00 0.00 0.00 0.00 35.03 33.72 2vil n LYS 111 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2vil n GLN 112 N -0.12 0.00 -3.51 1.64 0.00 -1.26 -5.13 117.38 108.99 2vil n GLN 112 Ca 0.32 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.33 2vil n GLN 112 Cb 0.90 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 31.08 2vil n GLN 112 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2vil s GLY 113 N -3.20 0.13 -0.18 1.69 0.00 -1.26 -5.14 107.32 99.36 2vil s GLY 113 Ca 0.00 3.35 -0.19 0.00 0.00 0.00 0.00 44.72 47.88 2vil s GLY 113 CO 0.00 2.92 0.55 1.08 0.00 0.00 0.00 173.10 177.66 2vil s LEU 114 N 1.68 4.17 0.27 0.66 1.02 -1.25 -4.30 118.68 120.93 2vil s LEU 114 Ca -0.06 0.76 0.04 0.00 0.02 0.00 0.00 54.13 54.90 2vil s LEU 114 Cb -0.04 -2.77 -0.06 0.00 0.02 0.00 0.00 46.19 43.34 2vil s LEU 114 CO -0.15 -0.18 0.01 -0.63 0.02 0.00 0.00 176.35 175.43 2vil s ILE 115 N 1.53 1.17 -0.22 -0.59 1.01 0.06 -4.98 121.20 119.19 2vil s ILE 115 Ca 0.26 -2.04 -0.04 0.00 0.00 0.00 0.00 60.65 58.84 2vil s ILE 115 Cb -0.16 -2.52 0.11 0.00 0.01 0.00 0.00 42.46 39.91 2vil s ILE 115 CO 0.10 -0.20 0.34 -0.31 0.00 0.00 0.00 174.94 174.87 2vil s TYR 116 N -3.32 -0.66 0.00 3.97 2.02 -1.26 -2.37 117.35 115.73 2vil s TYR 116 Ca 0.32 0.81 0.00 0.00 -0.37 0.00 0.00 57.07 57.83 2vil s TYR 116 Cb 0.06 -0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.60 2vil s TYR 116 CO 0.12 -0.62 0.00 1.63 -1.57 0.00 0.00 175.55 175.10 2vil n LYS 117 N 5.36 2.70 -2.66 -0.62 4.76 -1.20 -4.48 118.16 122.02 2vil n LYS 117 Ca -0.05 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.16 2vil n LYS 117 Cb 0.50 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.72 2vil n LYS 117 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2vil s GLN 118 N 2.48 2.74 0.00 1.97 0.74 -1.26 -0.84 119.66 125.49 2vil s GLN 118 Ca 0.00 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 54.93 2vil s GLN 118 Cb 0.00 -2.43 0.00 0.00 1.10 0.00 0.00 33.01 31.68 2vil s GLN 118 CO 0.00 -0.63 0.00 0.41 -0.55 0.00 0.00 175.29 174.52 2vil n GLY 119 N -2.37 -0.83 1.57 2.59 0.00 -1.26 -4.53 105.19 100.36 2vil n GLY 119 Ca 0.05 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2vil n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vil n GLY 120 N 5.00 -4.63 0.00 -0.02 0.00 -1.26 -4.99 105.19 99.29 2vil n GLY 120 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2vil n GLY 120 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2vil n VAL 121 N -0.83 0.00 0.00 1.61 3.14 -1.26 -4.78 118.33 116.21 2vil n VAL 121 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2vil n VAL 121 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2vil n VAL 121 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2vil n ALA 122 N -3.00 0.00 0.00 1.55 0.00 -1.26 -4.95 120.51 112.85 2vil n ALA 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2vil n ALA 122 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2vil n ALA 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2vil n SER 123 N -0.26 0.00 -0.02 0.00 7.64 -1.26 -5.00 113.62 114.72 2vil n SER 123 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2vil n SER 123 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2vil n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vil n GLY 124 N 0.00 -0.22 3.53 0.23 0.00 -1.26 -5.01 105.19 102.46 2vil n GLY 124 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2vil n GLY 124 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2vil n MET 125 N -3.78 0.95 0.00 1.61 2.81 -1.26 -5.23 117.12 112.21 2vil n MET 125 Ca -0.09 0.34 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 2vil n MET 125 Cb 0.32 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 2vil n MET 125 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84