#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 -0.43 -0.15 5.55 0.28 -1.26 -4.70 120.64 119.93 2vil n GLU 2 Ca 0.00 0.62 0.18 0.00 -0.16 0.00 0.00 57.16 57.80 2vil n GLU 2 Cb 0.00 -0.59 0.56 0.00 1.43 0.00 0.00 31.44 32.84 2vil n GLU 2 CO 0.00 0.00 0.00 1.37 -0.16 0.00 0.00 177.13 178.34 2vil h LEU 3 N 3.21 0.29 -9.24 -1.84 -0.00 -1.95 -3.42 115.31 102.37 2vil h LEU 3 Ca 0.00 0.02 -0.61 0.00 -0.00 0.00 0.00 57.88 57.29 2vil h LEU 3 Cb 0.39 -0.04 0.15 0.00 -0.00 0.00 0.00 40.66 41.16 2vil h LEU 3 CO 0.00 0.14 -0.56 -0.24 -0.00 0.00 0.00 178.44 177.78 2vil n SER 4 N -4.45 -1.46 0.00 0.17 2.88 -1.26 0.90 113.62 110.40 2vil n SER 4 Ca 0.15 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 2vil n SER 4 Cb 0.60 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 2vil n SER 4 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2vil n LYS 5 N 0.78 0.00 -0.16 -1.46 4.81 -1.26 -4.22 118.16 116.65 2vil n LYS 5 Ca 0.12 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.58 2vil n LYS 5 Cb 0.40 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.54 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 1.71 0.10 1.64 5.02 -1.01 -3.82 118.16 121.80 2vil n LYS 6 Ca 0.00 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.59 2vil n LYS 6 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2vil n LYS 6 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2vil n VAL 7 N 0.09 0.00 0.16 -0.18 0.31 0.26 -4.86 118.33 114.11 2vil n VAL 7 Ca 0.06 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.57 2vil n VAL 7 Cb 0.34 -0.12 0.65 0.00 -0.91 0.00 0.00 33.84 33.80 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 0.16 -0.48 2.52 1.35 -1.75 0.49 112.91 115.20 2vil h THR 8 Ca 0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.59 2vil h THR 8 Cb 0.00 0.50 -0.15 0.00 -1.73 0.00 0.00 68.15 66.78 2vil h THR 8 CO 0.00 0.00 0.35 0.61 -0.25 0.00 0.00 175.52 176.23 2vil n GLY 9 N -1.43 3.48 0.00 5.82 0.00 -1.25 -4.36 105.19 107.45 2vil n GLY 9 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2vil n GLY 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vil n LYS 10 N -0.09 0.00 -2.84 1.61 4.81 0.17 -5.03 118.16 116.78 2vil n LYS 10 Ca 0.29 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.30 2vil n LYS 10 Cb 0.91 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.97 2vil n LYS 10 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2vil n LEU 11 N 0.00 6.09 0.00 3.14 7.99 -1.23 -4.87 117.00 128.12 2vil n LEU 11 Ca 0.00 -4.85 0.00 0.00 -0.01 0.00 0.00 56.01 51.15 2vil n LEU 11 Cb 0.00 -1.45 0.00 0.00 -0.11 0.00 0.00 43.42 41.86 2vil n LEU 11 CO 0.00 1.33 0.00 -0.67 -1.51 0.00 0.00 177.39 176.54 2vil n ASP 12 N 3.28 0.00 -1.85 -1.43 -0.08 -1.26 -4.89 116.55 110.31 2vil n ASP 12 Ca 0.32 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 2vil n ASP 12 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 2vil n ASP 12 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2vil n LYS 13 N 0.00 -5.03 -3.81 -0.67 5.02 -1.26 -4.61 118.16 107.81 2vil n LYS 13 Ca 0.00 3.61 -0.31 0.00 -2.02 0.00 0.00 58.31 59.58 2vil n LYS 13 Cb 0.00 -3.89 0.02 0.00 -0.02 0.00 0.00 35.03 31.14 2vil n LYS 13 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2vil n THR 14 N 1.20 -4.69 -3.15 -0.18 -2.24 -1.26 -4.95 114.28 99.01 2vil n THR 14 Ca 0.00 -0.79 0.05 0.00 -2.27 0.00 0.00 64.05 61.04 2vil n THR 14 Cb 0.00 -3.62 -0.00 0.00 -2.10 0.00 0.00 70.33 64.61 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 -3.62 -0.63 -0.71 4.28 2.01 -1.26 -5.10 115.64 110.61 2vil s THR 15 Ca 0.34 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 62.07 2vil s THR 15 Cb -0.13 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.68 2vil s THR 15 CO 0.88 0.00 1.46 -2.16 -0.69 0.00 0.00 174.62 174.11 2vil s PRO 16 N 2.90 3.03 0.00 4.92 0.04 -1.26 -4.67 135.00 139.95 2vil s PRO 16 Ca 0.17 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.20 2vil s PRO 16 Cb -0.07 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2vil s PRO 16 CO -0.22 -2.33 0.00 0.41 0.04 0.00 0.00 177.00 174.90 2vil n GLY 17 N 5.50 -1.03 3.51 0.56 0.00 -1.16 -5.01 105.19 107.56 2vil n GLY 17 Ca 0.09 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 2vil n GLY 17 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2vil s ILE 18 N -3.66 0.00 -0.21 -0.61 -4.36 -1.26 -1.78 121.20 109.32 2vil s ILE 18 Ca 0.00 -0.03 0.01 0.00 -0.26 0.00 0.00 60.65 60.38 2vil s ILE 18 Cb 0.00 -0.88 0.04 0.00 1.25 0.00 0.00 42.46 42.87 2vil s ILE 18 CO 0.00 -0.02 -0.12 -1.58 0.24 0.00 0.00 174.94 173.46 2vil s GLN 19 N -0.05 2.28 0.46 0.37 0.74 -0.59 -4.67 119.66 118.20 2vil s GLN 19 Ca -0.03 -0.98 -0.00 0.00 0.05 0.00 0.00 55.36 54.40 2vil s GLN 19 Cb -0.04 -2.58 -0.01 0.00 1.10 0.00 0.00 33.01 31.49 2vil s GLN 19 CO 0.03 -0.42 0.69 0.42 -0.55 0.00 0.00 175.29 175.45 2vil s ILE 20 N 1.29 4.07 -0.12 -2.34 1.01 -0.43 -1.56 121.20 123.13 2vil s ILE 20 Ca -0.02 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.23 2vil s ILE 20 Cb -0.17 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.80 2vil s ILE 20 CO -0.08 -0.38 -0.20 0.26 0.00 0.00 0.00 174.94 174.54 2vil s TRP 21 N -2.58 2.38 0.07 3.97 0.51 0.13 0.13 118.94 123.54 2vil s TRP 21 Ca 0.48 -1.12 -0.30 0.00 -2.12 0.00 0.00 56.10 53.04 2vil s TRP 21 Cb -0.10 -1.64 -0.05 0.00 -0.81 0.00 0.00 33.47 30.87 2vil s TRP 21 CO 0.39 -0.52 1.00 1.03 -0.51 0.00 0.00 176.95 178.34 2vil s ARG 22 N 0.76 4.62 -0.33 4.98 0.52 0.59 -2.08 118.95 128.01 2vil s ARG 22 Ca -0.10 1.48 0.12 0.00 -0.52 0.00 0.00 55.73 56.71 2vil s ARG 22 Cb -0.16 -3.40 0.46 0.00 0.52 0.00 0.00 34.95 32.37 2vil s ARG 22 CO 0.01 0.07 1.11 -0.89 0.02 0.00 0.00 175.30 175.62 2vil n ILE 23 N 3.25 1.99 -0.13 1.52 2.08 -0.35 -1.24 119.36 126.48 2vil n ILE 23 Ca 0.04 -3.96 -0.18 0.00 0.56 0.00 0.00 62.75 59.21 2vil n ILE 23 Cb 0.49 -0.38 -0.12 0.00 -0.75 0.00 0.00 39.64 38.88 2vil n ILE 23 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 2vil n GLU 24 N -0.52 0.65 -0.04 0.38 0.00 -1.26 -3.44 120.64 116.41 2vil n GLU 24 Ca 0.30 0.15 0.01 0.00 0.00 0.00 0.00 57.16 57.62 2vil n GLU 24 Cb 0.83 -1.52 0.03 0.00 0.00 0.00 0.00 31.44 30.78 2vil n GLU 24 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2vil n ASN 25 N -3.28 0.40 -0.80 -1.84 0.23 -1.26 -4.23 115.26 104.48 2vil n ASN 25 Ca -0.46 -2.00 -0.07 0.00 -0.53 0.00 0.00 54.58 51.52 2vil n ASN 25 Cb 0.99 -0.05 -0.01 0.00 -2.08 0.00 0.00 39.78 38.63 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 -0.28 -0.57 -3.34 -3.83 2.81 -1.26 -4.78 117.12 105.86 2vil n MET 26 Ca 0.02 0.39 -0.11 0.00 -1.81 0.00 0.00 57.70 56.20 2vil n MET 26 Cb 0.06 -4.29 -0.07 0.00 -0.71 0.00 0.00 33.22 28.21 2vil n MET 26 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2vil s GLU 27 N -4.19 0.37 0.18 0.03 2.02 -1.26 -5.01 118.70 110.84 2vil s GLU 27 Ca 0.00 0.19 -0.30 0.00 0.02 0.00 0.00 54.97 54.88 2vil s GLU 27 Cb 0.00 -0.44 -0.17 0.00 0.10 0.00 0.00 34.13 33.62 2vil s GLU 27 CO 0.00 -0.92 0.73 -0.12 0.02 0.00 0.00 175.26 174.98 2vil n MET 28 N 5.35 0.31 -3.98 1.61 0.00 -1.24 -4.44 117.12 114.73 2vil n MET 28 Ca -0.01 0.11 -0.09 0.00 -0.00 0.00 0.00 57.70 57.70 2vil n MET 28 Cb 0.49 -1.28 -0.11 0.00 0.00 0.00 0.00 33.22 32.31 2vil n MET 28 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2vil s VAL 29 N -0.79 0.13 -1.21 1.12 1.01 -0.37 -0.47 120.40 119.82 2vil s VAL 29 Ca 0.68 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 2vil s VAL 29 Cb -0.94 -0.27 0.05 0.00 0.00 0.00 0.00 36.38 35.22 2vil s VAL 29 CO 0.56 -0.46 1.70 -2.16 0.00 0.00 0.00 175.10 174.74 2vil s PRO 30 N -1.38 3.71 -0.27 2.72 0.04 -1.26 -0.30 135.00 138.25 2vil s PRO 30 Ca -0.15 -1.67 -0.29 0.00 0.04 0.00 0.00 61.00 58.94 2vil s PRO 30 Cb -0.09 -5.46 -0.02 0.00 0.04 0.00 0.00 34.50 28.97 2vil s PRO 30 CO -0.01 -2.45 1.64 0.08 0.04 0.00 0.00 177.00 176.30 2vil s VAL 31 N 5.25 3.66 0.00 -0.36 1.01 0.35 -4.93 120.40 125.39 2vil s VAL 31 Ca 0.54 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2vil s VAL 31 Cb 0.02 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2vil s VAL 31 CO 0.04 -0.38 0.00 -0.81 0.00 0.00 0.00 175.10 173.95 2vil n PRO 32 N 7.92 1.34 0.07 2.72 -0.04 -1.26 -1.31 135.00 144.44 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 0.09 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.05 0.00 0.00 0.52 1.35 -1.94 -3.03 112.91 109.75 2vil h THR 33 Ca 0.00 -0.63 -0.01 0.00 -0.55 0.00 0.00 66.41 65.23 2vil h THR 33 Cb 0.00 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2vil h THR 33 CO 0.00 0.00 -0.02 0.07 -0.25 0.00 0.00 175.52 175.32 2vil h LYS 34 N 0.00 0.00 0.00 4.72 5.09 -1.98 -3.20 116.57 121.20 2vil h LYS 34 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2vil h LYS 34 Cb 0.81 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.14 2vil h LYS 34 CO 0.00 0.02 -0.02 0.43 -2.09 0.00 0.00 179.45 177.79 2vil n SER 35 N -3.11 1.80 -2.23 7.07 7.64 -1.25 -4.80 113.62 118.74 2vil n SER 35 Ca 0.02 -2.19 -0.19 0.00 1.01 0.00 0.00 58.87 57.53 2vil n SER 35 Cb 0.43 -0.12 -0.12 0.00 -1.01 0.00 0.00 64.21 63.39 2vil n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vil n TYR 36 N -0.68 0.75 0.00 1.43 4.11 -1.15 -4.42 117.16 117.21 2vil n TYR 36 Ca 0.04 -1.70 0.00 0.00 -0.00 0.00 0.00 57.90 56.24 2vil n TYR 36 Cb 0.40 -1.49 0.00 0.00 -0.00 0.00 0.00 39.34 38.25 2vil n TYR 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2vil n GLY 37 N 1.72 0.08 3.68 -7.48 0.00 -1.26 -4.95 105.19 96.98 2vil n GLY 37 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 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 1.00 7.13 -0.25 1.61 0.01 -1.26 -2.45 114.94 120.73 2vil s ASN 38 Ca 0.00 1.39 -0.26 0.00 -0.71 0.00 0.00 52.86 53.28 2vil s ASN 38 Cb 0.00 -2.52 0.07 0.00 0.41 0.00 0.00 41.25 39.21 2vil s ASN 38 CO 0.00 -0.47 0.73 0.72 -1.51 0.00 0.00 177.10 176.57 2vil s PHE 39 N 2.25 -0.77 0.28 2.20 -0.12 -1.01 -4.92 117.98 115.89 2vil s PHE 39 Ca 0.44 1.82 -0.25 0.00 -0.05 0.00 0.00 56.93 58.90 2vil s PHE 39 Cb -0.17 0.29 -0.16 0.00 -0.63 0.00 0.00 43.02 42.35 2vil s PHE 39 CO 0.14 -0.40 0.33 0.66 -0.05 0.00 0.00 175.22 175.90 2vil n TYR 40 N 2.49 -1.16 -0.00 3.49 4.01 -1.26 -2.54 117.16 122.18 2vil n TYR 40 Ca -0.14 0.81 -0.20 0.00 -0.16 0.00 0.00 57.90 58.20 2vil n TYR 40 Cb 0.55 -1.84 -0.14 0.00 -0.31 0.00 0.00 39.34 37.60 2vil n TYR 40 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2vil n GLU 41 N 1.12 0.74 -2.02 -0.72 0.28 -0.90 -4.45 120.64 114.69 2vil n GLU 41 Ca 0.15 0.26 -0.42 0.00 -0.16 0.00 0.00 57.16 56.99 2vil n GLU 41 Cb 0.31 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.47 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 1.96 4.39 0.00 -1.84 0.00 -1.26 -4.08 105.19 104.35 2vil n GLY 42 Ca -0.31 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 5.49 1.32 -3.61 1.61 9.92 0.21 -3.12 116.55 128.37 2vil n ASP 43 Ca 0.47 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.57 2vil n ASP 43 Cb 0.39 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.80 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 -1.04 -0.49 -0.42 0.00 2.02 -0.32 -1.21 117.35 115.89 2vil s TYR 45 Ca -0.10 0.52 -0.29 0.00 -0.37 0.00 0.00 57.07 56.83 2vil s TYR 45 Cb -0.02 -0.19 0.02 0.00 -0.40 0.00 0.00 41.96 41.37 2vil s TYR 45 CO 0.07 -0.62 1.14 0.08 -1.57 0.00 0.00 175.55 174.65 2vil s VAL 46 N 2.42 4.28 -0.33 0.71 1.01 -0.88 -2.16 120.40 125.44 2vil s VAL 46 Ca 0.08 1.37 -0.11 0.00 0.00 0.00 0.00 61.98 63.32 2vil s VAL 46 Cb -0.15 -4.51 -0.00 0.00 0.00 0.00 0.00 36.38 31.71 2vil s VAL 46 CO -0.13 -0.82 0.19 -0.22 0.00 0.00 0.00 175.10 174.12 2vil s LEU 47 N 4.26 4.35 -0.41 3.92 0.20 -0.70 0.17 118.68 130.47 2vil s LEU 47 Ca 0.48 -0.58 -0.15 0.00 0.69 0.00 0.00 54.13 54.58 2vil s LEU 47 Cb -0.09 -2.05 0.02 0.00 -0.43 0.00 0.00 46.19 43.64 2vil s LEU 47 CO 0.26 -0.24 0.30 -0.22 -0.29 0.00 0.00 176.35 176.16 2vil s LEU 48 N 1.64 5.12 -0.13 -0.68 2.96 -0.60 -0.47 118.68 126.52 2vil s LEU 48 Ca 0.05 -0.91 -0.12 0.00 -0.22 0.00 0.00 54.13 52.93 2vil s LEU 48 Cb -0.18 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 2vil s LEU 48 CO 0.08 -0.45 0.25 -0.55 -1.32 0.00 0.00 176.35 174.36 2vil s SER 49 N 1.70 6.46 -0.05 3.68 0.15 -0.68 -1.54 113.70 123.42 2vil s SER 49 Ca 0.05 0.54 0.06 0.00 0.70 0.00 0.00 55.95 57.30 2vil s SER 49 Cb -0.19 -2.15 -0.01 0.00 -1.71 0.00 0.00 66.02 61.95 2vil s SER 49 CO 0.10 0.23 -0.25 -0.89 1.20 0.00 0.00 173.24 173.63 2vil s THR 50 N -0.19 2.00 0.18 6.45 2.01 -0.74 0.06 115.64 125.42 2vil s THR 50 Ca 0.16 -1.04 0.10 0.00 0.31 0.00 0.00 61.69 61.22 2vil s THR 50 Cb -0.13 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2vil s THR 50 CO 0.05 0.56 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.74 2vil s ARG 51 N -0.21 1.38 0.32 4.92 6.06 -0.81 -3.00 118.95 127.61 2vil s ARG 51 Ca -0.02 -1.48 -0.05 0.00 -2.50 0.00 0.00 55.73 51.68 2vil s ARG 51 Cb -0.13 -1.52 -0.05 0.00 0.06 0.00 0.00 34.95 33.31 2vil s ARG 51 CO 0.03 0.31 0.60 -1.59 -2.50 0.00 0.00 175.30 172.15 2vil s LYS 52 N -2.84 3.63 0.34 5.12 0.00 -1.26 -1.56 119.74 123.17 2vil s LYS 52 Ca 0.19 0.04 -0.16 0.00 0.00 0.00 0.00 55.97 56.03 2vil s LYS 52 Cb -0.06 -2.60 0.04 0.00 0.00 0.00 0.00 37.83 35.21 2vil s LYS 52 CO 0.08 0.15 0.73 0.95 0.00 0.00 0.00 175.35 177.26 2vil s THR 53 N -2.19 0.00 -0.20 3.79 -4.23 -1.16 -4.85 115.64 106.81 2vil s THR 53 Ca 0.45 -1.06 0.22 0.00 -1.18 0.00 0.00 61.69 60.12 2vil s THR 53 Cb -0.10 -2.56 0.25 0.00 1.34 0.00 0.00 72.50 71.43 2vil s THR 53 CO 0.32 0.00 1.65 1.23 -0.54 0.00 0.00 174.62 177.28 2vil h GLY 54 N 2.02 0.00 0.00 3.99 0.00 -2.01 -3.32 103.07 103.75 2vil h GLY 54 Ca -0.28 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 2vil h GLY 54 CO 0.35 0.00 -0.54 1.76 0.00 0.00 0.00 176.54 178.11 2vil h SER 55 N 0.00 0.00 0.00 0.19 0.02 -2.02 -3.50 113.55 108.24 2vil h SER 55 Ca -0.00 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2vil h SER 55 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2vil h SER 55 CO 0.02 1.07 0.00 0.61 -1.14 0.00 0.00 176.83 177.39 2vil n GLY 56 N 1.57 -1.47 3.16 -3.77 0.00 -1.25 -5.16 105.19 98.27 2vil n GLY 56 Ca -0.16 0.71 -0.09 0.00 0.00 0.00 0.00 46.02 46.47 2vil n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vil s PHE 57 N 0.73 0.15 -0.34 1.61 0.08 -1.26 -2.97 117.98 115.98 2vil s PHE 57 Ca 0.00 -0.47 0.03 0.00 0.12 0.00 0.00 56.93 56.62 2vil s PHE 57 Cb 0.00 -0.10 0.10 0.00 -0.57 0.00 0.00 43.02 42.46 2vil s PHE 57 CO 0.00 -0.43 0.07 -1.12 -0.10 0.00 0.00 175.22 173.64 2vil s SER 58 N -2.31 4.63 0.55 1.36 0.01 -0.60 -4.92 113.70 112.42 2vil s SER 58 Ca -0.02 -2.12 -0.11 0.00 1.31 0.00 0.00 55.95 55.01 2vil s SER 58 Cb 0.01 -1.51 -0.05 0.00 0.21 0.00 0.00 66.02 64.68 2vil s SER 58 CO -0.06 -0.38 0.96 -0.31 0.41 0.00 0.00 173.24 173.86 2vil s TYR 59 N 0.96 3.56 -0.38 2.43 2.02 -1.20 -1.93 117.35 122.81 2vil s TYR 59 Ca 0.11 1.23 0.04 0.00 -0.37 0.00 0.00 57.07 58.08 2vil s TYR 59 Cb -0.19 -2.64 0.16 0.00 -0.40 0.00 0.00 41.96 38.89 2vil s TYR 59 CO -0.10 -0.49 0.43 -0.80 -1.57 0.00 0.00 175.55 173.01 2vil s ASN 60 N -3.82 0.62 0.15 2.29 0.01 0.11 -2.23 114.94 112.08 2vil s ASN 60 Ca 0.54 -1.42 -0.30 0.00 -0.71 0.00 0.00 52.86 50.98 2vil s ASN 60 Cb -0.11 0.84 -0.07 0.00 0.41 0.00 0.00 41.25 42.33 2vil s ASN 60 CO 0.45 -0.24 1.04 -0.63 -1.51 0.00 0.00 177.10 176.21 2vil s ILE 61 N 1.52 4.13 0.25 0.60 1.01 0.57 -1.69 121.20 127.58 2vil s ILE 61 Ca 0.17 1.82 0.10 0.00 0.00 0.00 0.00 60.65 62.74 2vil s ILE 61 Cb -0.13 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 2vil s ILE 61 CO -0.04 0.30 -0.18 -1.00 0.00 0.00 0.00 174.94 174.02 2vil s HIS 62 N -0.18 2.07 -0.36 3.97 3.76 0.38 -0.82 115.29 124.11 2vil s HIS 62 Ca 0.48 -0.42 -0.00 0.00 -0.15 0.00 0.00 55.06 54.97 2vil s HIS 62 Cb -0.27 -0.92 0.13 0.00 1.11 0.00 0.00 32.58 32.62 2vil s HIS 62 CO 0.33 0.57 0.19 1.52 -0.85 0.00 0.00 174.74 176.49 2vil s TYR 63 N -2.62 1.20 -0.17 1.40 1.13 -0.90 -1.71 117.35 115.68 2vil s TYR 63 Ca 0.26 -1.76 -0.29 0.00 -1.41 0.00 0.00 57.07 53.87 2vil s TYR 63 Cb -0.04 -1.34 -0.02 0.00 -1.10 0.00 0.00 41.96 39.47 2vil s TYR 63 CO 0.12 -0.83 1.34 -0.46 -2.51 0.00 0.00 175.55 173.21 2vil s TRP 64 N 1.12 2.67 -0.89 -3.49 -0.00 -0.92 -1.99 118.94 115.44 2vil s TRP 64 Ca 0.15 0.86 -0.01 0.00 -0.00 0.00 0.00 56.10 57.10 2vil s TRP 64 Cb -0.21 -3.63 0.24 0.00 -0.00 0.00 0.00 33.47 29.86 2vil s TRP 64 CO -0.09 -2.06 0.88 1.28 -0.00 0.00 0.00 176.95 176.95 2vil n LEU 65 N 6.89 4.46 -4.57 5.86 4.77 -0.23 -1.17 117.00 133.02 2vil n LEU 65 Ca 0.15 -5.19 -0.21 0.00 -0.03 0.00 0.00 56.01 50.73 2vil n LEU 65 Cb 0.45 -1.07 -0.07 0.00 -2.33 0.00 0.00 43.42 40.40 2vil n LEU 65 CO 0.58 1.65 1.30 -0.83 -1.33 0.00 0.00 177.39 178.75 2vil s GLY 66 N -0.66 -0.30 -0.78 -0.72 0.00 0.45 -3.20 107.32 102.10 2vil s GLY 66 Ca 0.30 -1.42 -0.24 0.00 0.00 0.00 0.00 44.72 43.37 2vil s GLY 66 CO -0.08 3.83 2.42 0.58 0.00 0.00 0.00 173.10 179.85 2vil n LYS 67 N 8.64 0.50 0.00 2.90 0.00 -1.26 0.63 118.16 129.57 2vil n LYS 67 Ca 0.43 -0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2vil n LYS 67 Cb 0.46 -2.73 0.00 0.00 -0.00 0.00 0.00 35.03 32.76 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 13.97 0.00 -1.94 -5.58 4.13 -1.26 -4.88 115.26 119.70 2vil n ASN 68 Ca 0.51 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.77 2vil n ASN 68 Cb 0.34 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.58 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 -1.40 0.00 -4.82 6.41 3.41 -1.18 -4.97 113.62 111.07 2vil n SER 69 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2vil n SER 69 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2vil n SER 69 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2vil s SER 70 N -1.41 7.01 0.22 4.04 1.04 -1.26 -4.96 113.70 118.37 2vil s SER 70 Ca 0.00 1.26 -0.09 0.00 0.48 0.00 0.00 55.95 57.59 2vil s SER 70 Cb 0.00 -2.36 0.33 0.00 0.10 0.00 0.00 66.02 64.09 2vil s SER 70 CO 0.00 0.17 1.69 -0.61 0.98 0.00 0.00 173.24 175.47 2vil h GLN 71 N 4.00 0.22 -0.93 4.02 4.15 -2.01 0.36 115.11 124.92 2vil h GLN 71 Ca -0.49 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.04 2vil h GLN 71 Cb 1.20 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.77 2vil h GLN 71 CO 0.65 0.15 0.60 0.38 -1.93 0.00 0.00 178.83 178.67 2vil h ASP 72 N 0.23 0.81 -0.91 -0.69 3.04 -1.98 0.23 116.42 117.13 2vil h ASP 72 Ca 0.34 0.04 0.08 0.00 -3.24 0.00 0.00 57.03 54.24 2vil h ASP 72 Cb 0.53 -0.13 -0.06 0.00 -1.04 0.00 0.00 39.33 38.63 2vil h ASP 72 CO -0.45 0.44 0.59 -0.08 -2.04 0.00 0.00 179.24 177.70 2vil h GLU 73 N 0.87 0.96 -0.50 4.15 4.57 -0.67 0.50 114.58 124.46 2vil h GLU 73 Ca 0.45 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.55 2vil h GLU 73 Cb 0.53 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2vil h GLU 73 CO -0.22 0.64 0.19 -0.56 -1.18 0.00 0.00 179.01 177.88 2vil h GLN 74 N 0.99 0.73 0.00 1.92 3.07 -0.20 0.48 115.11 122.09 2vil h GLN 74 Ca 0.40 -0.11 0.00 0.00 0.09 0.00 0.00 58.65 59.03 2vil h GLN 74 Cb 0.28 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.71 2vil h GLN 74 CO -0.16 0.61 -0.01 0.41 0.09 0.00 0.00 178.83 179.76 2vil n GLY 75 N -1.08 -1.65 0.12 0.06 0.00 0.10 -2.60 105.19 100.14 2vil n GLY 75 Ca 0.04 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 2.64 -0.09 -0.27 4.61 0.00 0.20 -1.34 119.26 125.00 2vil h ALA 76 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 2vil h ALA 76 Cb 0.68 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2vil h ALA 76 CO 0.00 0.40 -0.11 0.00 0.00 0.00 0.00 179.25 179.53 2vil h ALA 77 N 0.09 0.38 -0.07 0.00 0.00 -1.32 -1.63 119.26 116.71 2vil h ALA 77 Ca -0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2vil h ALA 77 Cb 1.67 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2vil h ALA 77 CO 0.16 0.24 0.01 0.00 0.00 0.00 0.00 179.25 179.66 2vil h ALA 78 N 0.75 0.10 -0.70 0.00 0.00 -1.61 -1.61 119.26 116.19 2vil h ALA 78 Ca 0.06 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2vil h ALA 78 Cb 0.62 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2vil h ALA 78 CO 0.04 -0.26 0.36 0.82 0.00 0.00 0.00 179.25 180.21 2vil h ILE 79 N -0.12 0.90 -0.17 0.00 2.04 -1.23 0.13 117.51 119.07 2vil h ILE 79 Ca 0.02 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 2vil h ILE 79 Cb 0.28 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2vil h ILE 79 CO 0.00 0.12 -0.07 1.88 0.00 0.00 0.00 178.15 180.08 2vil h TYR 80 N 0.64 0.26 0.00 1.37 -1.99 -1.11 0.40 116.97 116.54 2vil h TYR 80 Ca 0.33 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 61.01 2vil h TYR 80 Cb 0.30 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 38.94 2vil h TYR 80 CO -0.09 0.33 -0.17 1.15 -0.00 0.00 0.00 178.16 179.38 2vil h THR 81 N 0.24 0.60 0.00 -2.88 2.02 0.25 -2.04 112.91 111.10 2vil h THR 81 Ca 0.05 -0.75 -0.24 0.00 0.77 0.00 0.00 66.41 66.24 2vil h THR 81 Cb 0.28 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 2vil h THR 81 CO 0.01 0.16 -1.31 0.74 0.37 0.00 0.00 175.52 175.50 2vil h THR 82 N 0.00 1.33 -0.23 3.16 2.02 -0.07 -2.15 112.91 116.97 2vil h THR 82 Ca -0.00 -3.10 -0.18 0.00 0.77 0.00 0.00 66.41 63.90 2vil h THR 82 Cb 0.47 2.66 -0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2vil h THR 82 CO 0.02 0.76 -0.57 1.56 0.37 0.00 0.00 175.52 177.66 2vil h GLN 83 N 0.00 0.71 0.07 6.66 4.20 -0.64 -2.95 115.11 123.16 2vil h GLN 83 Ca -0.13 -0.46 -0.27 0.00 0.06 0.00 0.00 58.65 57.85 2vil h GLN 83 Cb 1.87 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.70 2vil h GLN 83 CO 0.11 1.08 -1.30 0.00 -0.67 0.00 0.00 178.83 178.05 2vil h MET 84 N 0.54 0.15 -0.03 1.46 -0.00 -1.49 -2.55 114.93 113.01 2vil h MET 84 Ca 0.01 -0.26 0.01 0.00 -0.00 0.00 0.00 59.70 59.46 2vil h MET 84 Cb 1.15 0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 32.84 2vil h MET 84 CO 0.12 1.04 0.02 0.22 -0.00 0.00 0.00 176.91 178.31 2vil h ASP 85 N 0.04 0.00 0.25 -0.10 1.82 -1.38 -0.48 116.42 116.57 2vil h ASP 85 Ca -0.14 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.15 2vil h ASP 85 Cb 1.93 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.91 2vil h ASP 85 CO 0.15 0.00 -1.90 1.21 -1.61 0.00 0.00 179.24 177.10 2vil n GLU 86 N -4.37 0.72 0.00 0.28 2.13 -1.12 -3.41 120.64 114.88 2vil n GLU 86 Ca -0.02 0.28 0.08 0.00 0.66 0.00 0.00 57.16 58.15 2vil n GLU 86 Cb 0.12 -1.74 0.38 0.00 0.27 0.00 0.00 31.44 30.47 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 -3.35 0.00 0.65 4.31 4.02 -0.89 -2.06 117.16 119.84 2vil n TYR 87 Ca -0.27 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.75 2vil n TYR 87 Cb 1.05 -0.42 0.29 0.00 -0.02 0.00 0.00 39.34 40.24 2vil n TYR 87 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2vil n LEU 88 N -1.42 0.68 0.00 7.72 4.77 -0.24 -4.91 117.00 123.60 2vil n LEU 88 Ca 0.05 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2vil n LEU 88 Cb 0.17 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2vil n LEU 88 CO 0.15 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 2vil n GLY 89 N 1.35 1.03 2.66 -0.72 0.00 -0.88 -4.13 105.19 104.50 2vil n GLY 89 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2vil n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2vil n SER 90 N 0.00 -2.71 0.08 1.61 7.64 -1.22 -4.83 113.62 114.19 2vil n SER 90 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2vil n SER 90 Cb 0.00 -1.29 0.26 0.00 -1.01 0.00 0.00 64.21 62.17 2vil n SER 90 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2vil n VAL 91 N -2.45 0.46 -2.47 0.44 0.24 -1.26 -4.86 118.33 108.43 2vil n VAL 91 Ca 0.00 -0.28 -0.23 0.00 -2.04 0.00 0.00 64.34 61.78 2vil n VAL 91 Cb 0.11 -0.31 0.08 0.00 -1.47 0.00 0.00 33.84 32.25 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 -3.14 3.56 0.40 2.33 0.00 -1.26 -3.25 121.76 120.40 2vil s ALA 92 Ca 0.08 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 50.73 2vil s ALA 92 Cb 0.13 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 2vil s ALA 92 CO 0.67 -1.20 0.10 0.08 0.00 0.00 0.00 175.76 175.41 2vil s VAL 93 N -3.07 0.81 -0.06 0.00 1.01 -0.95 -4.88 120.40 113.26 2vil s VAL 93 Ca 0.62 -2.00 0.05 0.00 0.00 0.00 0.00 61.98 60.64 2vil s VAL 93 Cb -0.08 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 2vil s VAL 93 CO 0.43 0.00 -0.21 -1.58 0.00 0.00 0.00 175.10 173.74 2vil s GLN 94 N -3.77 2.33 0.01 2.72 0.74 -1.25 -0.32 119.66 120.12 2vil s GLN 94 Ca 0.25 -0.75 0.06 0.00 0.05 0.00 0.00 55.36 54.96 2vil s GLN 94 Cb 0.04 -1.92 -0.02 0.00 1.10 0.00 0.00 33.01 32.21 2vil s GLN 94 CO 0.13 0.25 -0.17 -1.01 -0.55 0.00 0.00 175.29 173.94 2vil s HIS 95 N 0.11 1.55 -0.25 1.67 3.76 0.00 -4.96 115.29 117.16 2vil s HIS 95 Ca -0.08 -0.31 -0.21 0.00 -0.15 0.00 0.00 55.06 54.30 2vil s HIS 95 Cb -0.14 -0.97 -0.02 0.00 1.11 0.00 0.00 32.58 32.56 2vil s HIS 95 CO 0.04 0.01 0.64 0.50 -0.85 0.00 0.00 174.74 175.08 2vil s ARG 96 N -0.66 4.12 0.16 1.40 3.00 -1.26 -2.12 118.95 123.58 2vil s ARG 96 Ca 0.06 0.58 0.07 0.00 -1.00 0.00 0.00 55.73 55.44 2vil s ARG 96 Cb -0.07 -3.65 -0.04 0.00 0.00 0.00 0.00 34.95 31.19 2vil s ARG 96 CO 0.00 -0.42 -0.15 -1.21 0.00 0.00 0.00 175.30 173.52 2vil s GLU 97 N 2.52 1.17 0.37 5.12 2.02 -0.84 -4.34 118.70 124.72 2vil s GLU 97 Ca 0.27 -1.40 -0.14 0.00 0.02 0.00 0.00 54.97 53.72 2vil s GLU 97 Cb -0.15 -1.04 0.06 0.00 0.10 0.00 0.00 34.13 33.09 2vil s GLU 97 CO 0.08 0.19 0.74 0.28 0.02 0.00 0.00 175.26 176.58 2vil n VAL 98 N 0.16 0.00 1.14 2.63 0.31 -1.26 -1.07 118.33 120.24 2vil n VAL 98 Ca -0.12 -0.92 0.11 0.00 -0.01 0.00 0.00 64.34 63.39 2vil n VAL 98 Cb 0.58 0.92 0.58 0.00 -0.91 0.00 0.00 33.84 35.01 2vil n VAL 98 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2vil n GLN 99 N -0.50 0.46 0.00 5.55 7.27 -1.19 -2.58 117.38 126.39 2vil n GLN 99 Ca -0.08 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.04 2vil n GLN 99 Cb 0.56 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.71 2vil n GLN 99 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2vil n GLY 100 N 0.43 -1.00 0.00 1.69 0.00 -1.26 -4.78 105.19 100.26 2vil n GLY 100 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.05 0.00 -0.87 1.61 8.25 -1.06 -4.76 115.22 118.33 2vil n HIS 101 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2vil n HIS 101 Cb 0.36 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.42 2vil n HIS 101 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2vil n GLU 102 N -0.00 1.67 -0.04 -0.41 0.00 -1.23 -4.39 120.64 116.23 2vil n GLU 102 Ca 0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 57.16 56.20 2vil n GLU 102 Cb 0.00 -1.59 -0.00 0.00 0.00 0.00 0.00 31.44 29.85 2vil n GLU 102 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2vil h SER 103 N 1.99 0.00 -0.20 4.31 4.64 -1.86 -2.46 113.55 119.96 2vil h SER 103 Ca 0.17 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 2vil h SER 103 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2vil h SER 103 CO 0.35 0.44 0.05 -0.08 -0.87 0.00 0.00 176.83 176.72 2vil h GLU 104 N -0.85 0.32 -0.69 4.77 4.81 -1.93 -2.54 114.58 118.46 2vil h GLU 104 Ca 0.00 -0.07 0.15 0.00 -0.13 0.00 0.00 59.36 59.30 2vil h GLU 104 Cb 0.03 -0.04 -0.11 0.00 0.63 0.00 0.00 28.75 29.26 2vil h GLU 104 CO 0.00 0.44 0.13 1.15 -0.73 0.00 0.00 179.01 179.99 2vil h THR 105 N 0.14 0.52 -0.01 0.32 2.02 -1.82 -0.90 112.91 113.18 2vil h THR 105 Ca 0.06 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.17 2vil h THR 105 Cb 0.26 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 2vil h THR 105 CO 0.00 0.04 -0.26 0.15 0.37 0.00 0.00 175.52 175.82 2vil h PHE 106 N 0.23 -0.77 -1.37 3.16 3.57 -1.02 0.48 116.94 121.21 2vil h PHE 106 Ca 0.38 0.03 0.44 0.00 3.53 0.00 0.00 57.97 62.34 2vil h PHE 106 Cb 0.63 0.34 -0.12 0.00 2.79 0.00 0.00 35.95 39.59 2vil h PHE 106 CO -0.29 -0.28 0.91 -0.09 -2.23 0.00 0.00 178.31 176.33 2vil h ARG 107 N -0.32 0.08 0.01 1.11 1.12 -0.97 0.55 114.38 115.96 2vil h ARG 107 Ca 0.01 -0.01 0.03 0.00 -1.11 0.00 0.00 59.98 58.90 2vil h ARG 107 Cb 0.35 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.24 2vil h ARG 107 CO -0.18 0.06 -0.38 0.00 -3.11 0.00 0.00 179.97 176.36 2vil h ALA 108 N 1.52 -0.59 -0.30 2.80 0.00 0.12 0.49 119.26 123.30 2vil h ALA 108 Ca 0.81 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.77 2vil h ALA 108 Cb 2.64 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 21.09 2vil h ALA 108 CO -0.35 -0.91 0.25 1.88 0.00 0.00 0.00 179.25 180.12 2vil h TYR 109 N -0.54 0.00 -2.22 0.00 0.05 0.43 -3.28 116.97 111.41 2vil h TYR 109 Ca 0.05 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.16 2vil h TYR 109 Cb 0.62 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.20 2vil h TYR 109 CO -0.39 0.00 0.92 -0.06 -1.05 0.00 0.00 178.16 177.59 2vil s PHE 110 N -4.88 3.01 -1.99 4.88 0.08 0.17 -4.81 117.98 114.44 2vil s PHE 110 Ca -0.05 -1.28 0.22 0.00 0.12 0.00 0.00 56.93 55.95 2vil s PHE 110 Cb 0.17 -4.35 1.34 0.00 -0.57 0.00 0.00 43.02 39.62 2vil s PHE 110 CO 0.65 -1.56 1.72 1.63 -0.10 0.00 0.00 175.22 177.55 2vil n LYS 111 N 6.94 0.69 0.00 0.44 4.76 -1.24 -4.22 118.16 125.54 2vil n LYS 111 Ca 0.24 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2vil n LYS 111 Cb 0.49 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 2vil n LYS 111 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2vil n GLN 112 N -1.01 0.00 -3.57 1.97 7.27 -1.26 -5.08 117.38 115.70 2vil n GLN 112 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.22 2vil n GLN 112 Cb 0.08 -0.04 -0.05 0.00 2.41 0.00 0.00 30.24 32.65 2vil n GLN 112 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2vil s GLY 113 N -0.45 -0.46 0.12 1.69 0.00 -1.26 -5.16 107.32 101.80 2vil s GLY 113 Ca 0.00 2.68 -0.12 0.00 0.00 0.00 0.00 44.72 47.28 2vil s GLY 113 CO 0.00 2.94 0.48 1.08 0.00 0.00 0.00 173.10 177.60 2vil s LEU 114 N 2.34 4.34 0.20 0.66 1.43 -1.26 -4.62 118.68 121.76 2vil s LEU 114 Ca -0.06 0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 53.96 2vil s LEU 114 Cb -0.08 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 2vil s LEU 114 CO -0.18 0.13 0.14 -0.63 0.23 0.00 0.00 176.35 176.03 2vil s ILE 115 N -1.45 0.00 -0.10 -0.59 1.01 -1.03 -4.94 121.20 114.11 2vil s ILE 115 Ca 0.36 -1.98 -0.09 0.00 0.00 0.00 0.00 60.65 58.94 2vil s ILE 115 Cb -0.14 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.88 2vil s ILE 115 CO 0.19 -0.02 0.27 -0.31 0.00 0.00 0.00 174.94 175.07 2vil s TYR 116 N -4.15 -0.30 0.00 3.97 1.51 -1.26 -2.41 117.35 114.71 2vil s TYR 116 Ca 0.38 0.73 0.00 0.00 -1.01 0.00 0.00 57.07 57.17 2vil s TYR 116 Cb 0.07 0.10 0.00 0.00 -0.11 0.00 0.00 41.96 42.02 2vil s TYR 116 CO 0.11 -0.15 0.00 1.63 -1.11 0.00 0.00 175.55 176.04 2vil n LYS 117 N 3.02 2.09 -2.84 -0.62 4.01 -1.05 -4.78 118.16 117.98 2vil n LYS 117 Ca -0.14 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.42 2vil n LYS 117 Cb 0.58 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 35.11 2vil n LYS 117 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 2vil s GLN 118 N -1.38 3.14 0.71 1.97 0.00 -1.26 -2.13 119.66 120.71 2vil s GLN 118 Ca 0.00 -0.26 0.01 0.00 -0.00 0.00 0.00 55.36 55.11 2vil s GLN 118 Cb 0.00 -2.48 0.13 0.00 0.00 0.00 0.00 33.01 30.66 2vil s GLN 118 CO 0.00 -0.31 0.98 0.20 0.00 0.00 0.00 175.29 176.15 2vil s GLY 119 N -4.20 1.75 0.00 2.60 0.00 -1.26 -4.63 107.32 101.58 2vil s GLY 119 Ca 0.49 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.35 2vil s GLY 119 CO 0.40 -1.27 0.00 0.61 0.00 0.00 0.00 173.10 172.84 2vil n GLY 120 N -2.77 0.61 0.69 0.20 0.00 -1.26 -4.98 105.19 97.68 2vil n GLY 120 Ca 0.16 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.97 2vil n GLY 120 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2vil n VAL 121 N -0.22 0.51 0.06 1.61 0.31 -1.26 -3.70 118.33 115.64 2vil n VAL 121 Ca 0.00 -0.50 0.05 0.00 -0.01 0.00 0.00 64.34 63.87 2vil n VAL 121 Cb 0.09 0.25 -0.05 0.00 -0.91 0.00 0.00 33.84 33.22 2vil n VAL 121 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vil n ALA 122 N 0.59 2.17 -1.68 3.52 0.00 -1.26 -4.09 120.51 119.77 2vil n ALA 122 Ca 0.13 -0.42 -0.00 0.00 0.00 0.00 0.00 53.44 53.14 2vil n ALA 122 Cb 0.32 -1.01 0.17 0.00 0.00 0.00 0.00 19.45 18.93 2vil n ALA 122 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2vil n SER 123 N -2.80 2.37 0.00 0.00 3.41 -1.24 -4.85 113.62 110.51 2vil n SER 123 Ca -0.06 -3.88 0.00 0.00 -0.26 0.00 0.00 58.87 54.67 2vil n SER 123 Cb 0.72 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2vil n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vil n GLY 124 N -1.04 0.33 3.81 5.00 0.00 -1.26 -4.96 105.19 107.08 2vil n GLY 124 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 2vil n GLY 124 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2vil s MET 125 N 0.00 4.32 0.00 1.61 -1.94 -1.26 -5.16 119.30 116.87 2vil s MET 125 Ca 0.00 0.97 0.00 0.00 -1.71 0.00 0.00 55.69 54.95 2vil s MET 125 Cb 0.00 -2.86 0.00 0.00 2.01 0.00 0.00 34.83 33.98 2vil s MET 125 CO 0.00 0.37 0.00 1.63 -0.01 0.00 0.00 175.02 177.01