#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ies s SER 2 N 0.00 1.78 0.59 4.04 1.04 -1.26 -5.03 113.70 114.86 1ies s SER 2 Ca 0.00 -0.28 0.17 0.00 0.48 0.00 0.00 55.95 56.33 1ies s SER 2 Cb 0.00 -0.26 0.60 0.00 0.10 0.00 0.00 66.02 66.45 1ies s SER 2 CO 0.00 0.17 1.15 0.00 0.98 0.00 0.00 173.24 175.54 1ies n GLN 3 N 2.82 0.02 0.02 4.02 10.64 -1.26 -0.58 117.38 133.05 1ies n GLN 3 Ca -0.15 0.95 0.11 0.00 -1.83 0.00 0.00 57.00 56.08 1ies n GLN 3 Cb 0.54 -2.43 -0.09 0.00 -0.86 0.00 0.00 30.24 27.40 1ies n GLN 3 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 1ies n ILE 4 N -2.92 0.14 -1.96 -0.39 -5.35 -1.26 -4.99 119.36 102.64 1ies n ILE 4 Ca 0.15 -0.39 -0.42 0.00 -0.27 0.00 0.00 62.75 61.83 1ies n ILE 4 Cb 1.31 0.11 -0.03 0.00 -1.74 0.00 0.00 39.64 39.29 1ies n ILE 4 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ies s ARG 5 N -3.36 4.23 -0.30 6.28 3.52 0.25 -4.85 118.95 124.73 1ies s ARG 5 Ca -0.02 2.34 -0.13 0.00 -0.13 0.00 0.00 55.73 57.78 1ies s ARG 5 Cb 0.14 -3.14 0.14 0.00 -1.56 0.00 0.00 34.95 30.53 1ies s ARG 5 CO 0.86 -0.54 0.83 -1.14 -0.81 0.00 0.00 175.30 174.50 1ies s GLN 6 N 0.61 0.44 -1.53 5.12 0.74 -1.26 -4.91 119.66 118.87 1ies s GLN 6 Ca 0.66 1.06 -0.06 0.00 0.05 0.00 0.00 55.36 57.07 1ies s GLN 6 Cb -0.43 0.59 0.01 0.00 1.10 0.00 0.00 33.01 34.28 1ies s GLN 6 CO 0.36 -0.14 0.68 -1.71 -0.55 0.00 0.00 175.29 173.92 1ies n ASN 7 N 5.06 -6.05 -4.13 6.67 5.15 -1.26 -5.00 115.26 115.70 1ies n ASN 7 Ca -0.11 -0.33 -0.33 0.00 -0.60 0.00 0.00 54.58 53.21 1ies n ASN 7 Cb 0.52 -4.88 -0.15 0.00 -0.53 0.00 0.00 39.78 34.74 1ies n ASN 7 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1ies s TYR 8 N -3.19 3.00 0.36 1.20 5.04 -1.26 -4.81 117.35 117.68 1ies s TYR 8 Ca 0.35 -1.81 -0.04 0.00 -2.44 0.00 0.00 57.07 53.14 1ies s TYR 8 Cb -0.16 -1.96 -0.04 0.00 0.35 0.00 0.00 41.96 40.15 1ies s TYR 8 CO 0.43 -0.80 0.62 -1.54 -1.34 0.00 0.00 175.55 172.91 1ies s SER 9 N 1.25 6.36 0.34 4.32 1.04 -1.26 -4.94 113.70 120.80 1ies s SER 9 Ca -0.00 0.71 0.03 0.00 0.48 0.00 0.00 55.95 57.17 1ies s SER 9 Cb -0.16 -2.14 0.60 0.00 0.10 0.00 0.00 66.02 64.42 1ies s SER 9 CO -0.08 -0.32 1.91 0.71 0.98 0.00 0.00 173.24 176.44 1ies h THR 10 N 0.90 1.18 -0.35 2.02 1.35 -1.99 -0.01 112.91 116.02 1ies h THR 10 Ca -0.48 -0.62 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 1ies h THR 10 Cb 1.20 0.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 1ies h THR 10 CO 0.63 0.23 0.16 -0.33 -0.25 0.00 0.00 175.52 175.97 1ies h GLU 11 N 0.64 0.51 -0.27 4.72 3.07 -1.99 -0.59 114.58 120.67 1ies h GLU 11 Ca 0.15 -0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 58.81 1ies h GLU 11 Cb 0.19 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1ies h GLU 11 CO -0.01 0.47 -0.32 0.28 -1.40 0.00 0.00 179.01 178.04 1ies h VAL 12 N 0.43 1.31 -0.56 3.13 2.07 -1.84 -2.19 116.25 118.59 1ies h VAL 12 Ca 0.12 -1.50 0.09 0.00 0.82 0.00 0.00 66.70 66.23 1ies h VAL 12 Cb 0.14 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1ies h VAL 12 CO -0.01 0.48 0.17 -0.08 0.02 0.00 0.00 177.57 178.14 1ies h GLU 13 N 0.42 0.31 -0.26 1.57 4.81 -0.78 0.11 114.58 120.77 1ies h GLU 13 Ca 0.04 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1ies h GLU 13 Cb 0.89 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1ies h GLU 13 CO 0.08 0.21 -0.24 0.00 -0.73 0.00 0.00 179.01 178.33 1ies h ALA 14 N 1.41 1.12 -0.26 2.92 0.00 -1.05 -2.25 119.26 121.15 1ies h ALA 14 Ca 0.28 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1ies h ALA 14 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ies h ALA 14 CO -0.32 0.55 -0.58 0.00 0.00 0.00 0.00 179.25 178.90 1ies h ALA 15 N 1.32 0.47 -0.40 0.00 0.00 -0.40 -1.99 119.26 118.26 1ies h ALA 15 Ca 0.07 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1ies h ALA 15 Cb 0.64 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ies h ALA 15 CO 0.05 0.68 0.25 0.28 0.00 0.00 0.00 179.25 180.51 1ies h VAL 16 N 0.63 1.08 -0.71 0.00 2.07 -0.72 0.01 116.25 118.61 1ies h VAL 16 Ca 0.01 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1ies h VAL 16 Cb 1.18 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1ies h VAL 16 CO 0.13 0.09 0.47 0.78 0.02 0.00 0.00 177.57 179.06 1ies h ASN 17 N 0.51 0.62 1.16 0.57 2.35 -1.24 0.48 115.58 120.02 1ies h ASN 17 Ca 0.15 0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.77 1ies h ASN 17 Cb -0.03 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1ies h ASN 17 CO -0.05 0.39 -0.66 0.03 -1.65 0.00 0.00 177.43 175.49 1ies h ARG 18 N 0.70 0.00 -0.11 0.81 3.08 -0.57 -3.09 114.38 115.20 1ies h ARG 18 Ca 0.31 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.19 1ies h ARG 18 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1ies h ARG 18 CO -0.10 0.66 -0.67 1.25 -1.07 0.00 0.00 179.97 180.04 1ies h LEU 19 N 0.00 0.52 -0.60 3.04 5.85 0.93 -2.09 115.31 122.97 1ies h LEU 19 Ca -0.01 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.46 1ies h LEU 19 Cb 1.42 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 1ies h LEU 19 CO 0.09 1.05 0.27 0.58 -0.34 0.00 0.00 178.44 180.09 1ies h VAL 20 N 0.32 0.87 -0.20 1.05 2.07 -1.13 0.33 116.25 119.57 1ies h VAL 20 Ca -0.02 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1ies h VAL 20 Cb 1.23 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1ies h VAL 20 CO 0.12 0.09 0.08 -1.13 0.02 0.00 0.00 177.57 176.75 1ies h ASN 21 N 0.50 0.27 -0.72 0.57 -0.73 -1.42 0.47 115.58 114.53 1ies h ASN 21 Ca 0.28 -0.16 0.07 0.00 1.87 0.00 0.00 56.30 58.37 1ies h ASN 21 Cb 0.27 -0.07 -0.06 0.00 0.27 0.00 0.00 38.32 38.73 1ies h ASN 21 CO -0.23 0.36 0.40 -0.07 -0.37 0.00 0.00 177.43 177.51 1ies h LEU 22 N 0.17 0.57 -0.39 0.34 4.07 -0.94 0.12 115.31 119.26 1ies h LEU 22 Ca 0.07 0.04 -0.08 0.00 0.08 0.00 0.00 57.88 57.98 1ies h LEU 22 Cb 0.17 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1ies h LEU 22 CO -0.01 0.35 -0.08 1.88 -1.08 0.00 0.00 178.44 179.51 1ies h TYR 23 N 0.70 0.83 -0.53 1.13 -1.99 -0.61 -1.11 116.97 115.39 1ies h TYR 23 Ca 0.33 -0.17 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 1ies h TYR 23 Cb 0.26 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.76 1ies h TYR 23 CO -0.08 0.87 0.30 -0.07 -0.00 0.00 0.00 178.16 179.18 1ies h LEU 24 N 0.55 0.66 -1.06 3.88 4.07 -0.41 -0.37 115.31 122.63 1ies h LEU 24 Ca 0.10 -0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.89 1ies h LEU 24 Cb 0.59 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1ies h LEU 24 CO 0.04 0.55 -0.34 -0.09 -1.08 0.00 0.00 178.44 177.52 1ies h ARG 25 N 0.71 0.24 -0.62 1.13 2.43 -0.67 -0.75 114.38 116.85 1ies h ARG 25 Ca 0.19 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1ies h ARG 25 Cb 0.03 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1ies h ARG 25 CO -0.03 0.55 0.04 0.00 -1.51 0.00 0.00 179.97 179.02 1ies h ALA 26 N 1.44 0.84 -0.17 2.80 0.00 -0.71 -0.83 119.26 122.63 1ies h ALA 26 Ca 0.03 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1ies h ALA 26 Cb 0.70 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1ies h ALA 26 CO 0.05 0.65 -0.12 1.03 0.00 0.00 0.00 179.25 180.87 1ies h SER 27 N 0.98 -0.37 -0.60 0.00 0.87 -0.61 -0.43 113.55 113.39 1ies h SER 27 Ca 0.18 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.88 1ies h SER 27 Cb 0.52 0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.62 1ies h SER 27 CO 0.02 -0.15 0.32 0.22 -0.53 0.00 0.00 176.83 176.71 1ies h TYR 28 N -0.12 0.58 -0.15 2.24 3.20 -0.87 -0.99 116.97 120.87 1ies h TYR 28 Ca 0.10 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1ies h TYR 28 Cb 0.27 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1ies h TYR 28 CO -0.26 0.28 0.06 1.15 -1.64 0.00 0.00 178.16 177.74 1ies h THR 29 N 0.60 0.97 -0.40 1.81 2.02 -0.76 -1.50 112.91 115.65 1ies h THR 29 Ca 0.27 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.37 1ies h THR 29 Cb 0.17 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1ies h THR 29 CO -0.18 0.02 0.10 1.88 0.37 0.00 0.00 175.52 177.72 1ies h TYR 30 N 0.13 0.59 -0.33 3.16 0.05 -0.69 -0.02 116.97 119.86 1ies h TYR 30 Ca 0.06 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.84 1ies h TYR 30 Cb 0.03 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 1ies h TYR 30 CO -0.11 0.51 0.12 1.25 -1.05 0.00 0.00 178.16 178.88 1ies h LEU 31 N 0.58 0.14 -0.13 3.88 5.85 -0.74 0.14 115.31 125.03 1ies h LEU 31 Ca 0.13 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1ies h LEU 31 Cb 0.21 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1ies h LEU 31 CO -0.00 0.12 0.08 -1.28 -0.34 0.00 0.00 178.44 177.01 1ies h SER 32 N 0.27 0.15 -0.39 1.25 0.87 -0.68 -2.18 113.55 112.84 1ies h SER 32 Ca 0.15 -0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1ies h SER 32 Cb 0.11 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1ies h SER 32 CO -0.14 0.16 0.20 -0.07 -0.53 0.00 0.00 176.83 176.45 1ies h LEU 33 N 0.14 0.30 0.08 2.23 3.38 -0.61 -2.66 115.31 118.17 1ies h LEU 33 Ca 0.05 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ies h LEU 33 Cb 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ies h LEU 33 CO -0.01 0.22 -0.12 1.23 0.09 0.00 0.00 178.44 179.85 1ies h GLY 34 N 0.41 -0.22 2.00 0.83 0.00 -0.58 -2.09 103.07 103.42 1ies h GLY 34 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1ies h GLY 34 CO -0.11 -0.13 0.00 0.69 0.00 0.00 0.00 176.54 177.00 1ies n PHE 35 N -5.25 0.75 -0.03 5.60 3.72 -0.83 -2.35 117.46 119.07 1ies n PHE 35 Ca -0.07 0.30 -0.14 0.00 -0.05 0.00 0.00 57.45 57.49 1ies n PHE 35 Cb 0.17 -0.99 -0.09 0.00 -0.94 0.00 0.00 39.48 37.63 1ies n PHE 35 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1ies h TYR 36 N 0.00 0.33 0.00 1.38 3.20 -1.01 -3.08 116.97 117.79 1ies h TYR 36 Ca 0.00 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1ies h TYR 36 Cb 0.33 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1ies h TYR 36 CO 0.00 0.82 0.00 1.19 -1.64 0.00 0.00 178.16 178.53 1ies n PHE 37 N -4.54 0.00 0.94 -3.82 3.72 -0.99 -1.37 117.46 111.39 1ies n PHE 37 Ca -0.08 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.44 1ies n PHE 37 Cb 0.43 -0.16 0.21 0.00 -0.94 0.00 0.00 39.48 39.02 1ies n PHE 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ies n ASP 38 N -1.16 0.55 -4.77 4.37 2.03 -1.17 -1.35 116.55 115.06 1ies n ASP 38 Ca 0.11 -0.25 -0.39 0.00 0.52 0.00 0.00 54.79 54.77 1ies n ASP 38 Cb 0.11 0.31 0.01 0.00 -0.72 0.00 0.00 41.12 40.82 1ies n ASP 38 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ies s ARG 39 N -3.03 3.80 0.60 -0.67 0.52 -0.47 -4.67 118.95 115.03 1ies s ARG 39 Ca 0.10 2.21 0.33 0.00 -0.52 0.00 0.00 55.73 57.85 1ies s ARG 39 Cb 0.17 -2.66 1.92 0.00 0.52 0.00 0.00 34.95 34.90 1ies s ARG 39 CO 0.72 -0.66 2.27 0.38 0.02 0.00 0.00 175.30 178.03 1ies h ASP 40 N 2.42 0.00 -0.52 0.23 2.03 -1.92 0.49 116.42 119.16 1ies h ASP 40 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1ies h ASP 40 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1ies h ASP 40 CO 0.61 0.01 0.00 -0.90 -1.03 0.00 0.00 179.24 177.93 1ies n ASP 41 N -3.67 2.80 0.00 4.15 5.75 -1.26 -4.26 116.55 120.06 1ies n ASP 41 Ca -0.03 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1ies n ASP 41 Cb 0.09 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1ies n ASP 41 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1ies n VAL 42 N 1.03 0.00 -4.08 2.12 0.31 0.88 -5.07 118.33 113.52 1ies n VAL 42 Ca 0.18 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 64.04 1ies n VAL 42 Cb 0.44 -1.38 0.02 0.00 -0.91 0.00 0.00 33.84 32.02 1ies n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ies n ALA 43 N -2.94 -2.63 -3.87 3.52 0.00 0.14 -4.97 120.51 109.76 1ies n ALA 43 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 53.44 52.55 1ies n ALA 43 Cb 0.48 -2.46 -0.14 0.00 0.00 0.00 0.00 19.45 17.33 1ies n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ies s LEU 44 N -7.38 3.64 0.11 0.00 2.01 -0.45 -4.97 118.68 111.63 1ies s LEU 44 Ca 0.47 -2.38 -0.15 0.00 0.01 0.00 0.00 54.13 52.08 1ies s LEU 44 Cb -0.26 -1.33 -0.06 0.00 0.01 0.00 0.00 46.19 44.55 1ies s LEU 44 CO 0.98 -0.32 1.50 -0.08 1.01 0.00 0.00 176.35 179.43 1ies h GLU 45 N 7.22 0.67 -0.61 1.70 4.81 -1.94 -1.50 114.58 124.93 1ies h GLU 45 Ca -0.06 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1ies h GLU 45 Cb 0.96 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1ies h GLU 45 CO 0.54 0.85 0.37 0.78 -0.73 0.00 0.00 179.01 180.82 1ies h GLY 46 N 0.44 0.88 1.07 1.92 0.00 -1.90 -0.27 103.07 105.22 1ies h GLY 46 Ca 0.08 -0.35 -0.20 0.00 0.00 0.00 0.00 47.33 46.86 1ies h GLY 46 CO 0.04 0.34 -0.69 -2.08 0.00 0.00 0.00 176.54 174.16 1ies h VAL 47 N 0.84 1.31 -0.53 4.60 2.07 -1.82 -2.06 116.25 120.66 1ies h VAL 47 Ca 0.22 -1.92 0.07 0.00 0.82 0.00 0.00 66.70 65.88 1ies h VAL 47 Cb -0.03 2.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 1ies h VAL 47 CO -0.04 0.60 0.22 0.00 0.02 0.00 0.00 177.57 178.37 1ies h HIS 49 N 0.43 1.18 0.32 0.00 6.17 -0.85 -0.15 115.15 122.24 1ies h HIS 49 Ca 0.25 -0.08 -0.00 0.00 0.71 0.00 0.00 60.37 61.25 1ies h HIS 49 Cb 0.24 -0.36 -0.02 0.00 2.52 0.00 0.00 27.41 29.79 1ies h HIS 49 CO -0.14 0.88 -0.32 0.35 0.71 0.00 0.00 177.93 179.41 1ies h PHE 50 N 1.13 -0.85 -0.02 5.26 3.57 -0.71 0.19 116.94 125.51 1ies h PHE 50 Ca 0.27 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.64 1ies h PHE 50 Cb 0.18 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1ies h PHE 50 CO 0.02 -0.45 -0.59 0.74 -2.23 0.00 0.00 178.31 175.79 1ies h PHE 51 N -0.67 0.08 -0.55 0.41 0.04 -1.08 -1.89 116.94 113.29 1ies h PHE 51 Ca -0.02 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 1ies h PHE 51 Cb 0.61 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 1ies h PHE 51 CO -0.19 0.64 0.06 0.00 -0.60 0.00 0.00 178.31 178.21 1ies h ARG 52 N 0.05 0.93 -0.79 1.51 2.47 -0.63 -1.78 114.38 116.14 1ies h ARG 52 Ca -0.01 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 1ies h ARG 52 Cb 1.05 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 29.24 1ies h ARG 52 CO 0.08 0.91 0.47 0.93 0.56 0.00 0.00 179.97 182.93 1ies h GLU 53 N 0.81 1.07 -0.61 0.04 5.08 0.11 -2.56 114.58 118.53 1ies h GLU 53 Ca 0.16 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1ies h GLU 53 Cb 0.46 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1ies h GLU 53 CO 0.02 0.76 0.24 -0.07 -1.00 0.00 0.00 179.01 178.96 1ies h LEU 54 N 1.08 0.81 -0.56 1.33 3.38 -1.23 -1.03 115.31 119.09 1ies h LEU 54 Ca 0.28 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.19 1ies h LEU 54 Cb -0.03 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1ies h LEU 54 CO -0.05 0.73 0.30 0.00 0.09 0.00 0.00 178.44 179.51 1ies h ALA 55 N 1.39 0.73 -0.58 1.53 0.00 -0.92 -0.49 119.26 120.91 1ies h ALA 55 Ca 0.21 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1ies h ALA 55 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ies h ALA 55 CO -0.02 -0.04 -0.02 0.93 0.00 0.00 0.00 179.25 180.10 1ies h GLU 56 N 0.57 1.03 -0.41 0.00 3.07 -1.15 -0.69 114.58 117.01 1ies h GLU 56 Ca 0.25 -0.33 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1ies h GLU 56 Cb 0.14 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1ies h GLU 56 CO -0.16 1.02 0.24 0.93 -1.40 0.00 0.00 179.01 179.64 1ies h GLU 57 N 0.94 0.57 -0.56 2.33 5.08 -0.83 -0.50 114.58 121.60 1ies h GLU 57 Ca 0.16 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1ies h GLU 57 Cb 0.57 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1ies h GLU 57 CO 0.03 0.43 -0.07 0.87 -1.00 0.00 0.00 179.01 179.28 1ies h LYS 58 N 0.54 1.03 -0.51 2.33 1.79 -0.58 -0.36 116.57 120.80 1ies h LYS 58 Ca 0.15 -0.36 0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1ies h LYS 58 Cb 0.02 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 1ies h LYS 58 CO -0.03 1.05 0.31 -0.09 -1.08 0.00 0.00 179.45 179.61 1ies h ARG 59 N 0.92 0.61 -0.76 3.15 2.43 -0.90 -1.86 114.38 117.97 1ies h ARG 59 Ca 0.15 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1ies h ARG 59 Cb 0.63 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1ies h ARG 59 CO 0.04 0.40 0.28 0.93 -1.51 0.00 0.00 179.97 180.11 1ies h GLU 60 N 0.63 1.16 -0.52 0.20 5.08 -0.69 -1.54 114.58 118.89 1ies h GLU 60 Ca 0.20 -0.23 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1ies h GLU 60 Cb 0.01 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.00 1ies h GLU 60 CO -0.09 0.96 0.12 0.78 -1.00 0.00 0.00 179.01 179.78 1ies h GLY 61 N 1.11 0.66 1.01 -3.84 0.00 -0.60 -0.54 103.07 100.86 1ies h GLY 61 Ca 0.25 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.55 1ies h GLY 61 CO -0.02 -0.07 0.46 0.00 0.00 0.00 0.00 176.54 176.91 1ies h ALA 62 N 1.40 0.88 -0.42 3.60 0.00 -0.99 -1.24 119.26 122.50 1ies h ALA 62 Ca 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1ies h ALA 62 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ies h ALA 62 CO -0.33 0.32 0.03 0.93 0.00 0.00 0.00 179.25 180.19 1ies h GLU 63 N 0.95 0.66 -0.24 0.00 5.08 -0.48 -1.52 114.58 119.02 1ies h GLU 63 Ca 0.25 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1ies h GLU 63 Cb -0.10 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1ies h GLU 63 CO -0.05 0.66 0.13 -0.09 -1.00 0.00 0.00 179.01 178.66 1ies h ARG 64 N 0.63 0.34 -0.58 2.33 2.43 -0.54 -0.73 114.38 118.27 1ies h ARG 64 Ca 0.13 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1ies h ARG 64 Cb 0.36 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1ies h ARG 64 CO 0.01 0.31 0.37 -0.07 -1.51 0.00 0.00 179.97 179.08 1ies h LEU 65 N 0.28 0.62 -0.71 3.80 3.38 -1.05 -1.47 115.31 120.17 1ies h LEU 65 Ca 0.09 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1ies h LEU 65 Cb 0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1ies h LEU 65 CO -0.01 0.44 0.44 -0.07 0.09 0.00 0.00 178.44 179.33 1ies h LEU 66 N 0.74 0.73 -0.42 1.67 4.07 -1.00 -0.18 115.31 120.91 1ies h LEU 66 Ca 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.19 1ies h LEU 66 Cb -0.03 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 1ies h LEU 66 CO -0.08 0.50 0.26 0.50 -1.08 0.00 0.00 178.44 178.54 1ies h LYS 67 N 0.86 0.56 -0.46 1.13 1.63 -0.92 -2.70 116.57 116.68 1ies h LYS 67 Ca 0.28 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1ies h LYS 67 Cb 0.02 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1ies h LYS 67 CO -0.11 0.41 0.26 1.98 -3.45 0.00 0.00 179.45 178.53 1ies h MET 68 N 0.56 0.63 -0.64 1.90 4.05 -0.67 -1.23 114.93 119.53 1ies h MET 68 Ca 0.15 -0.07 0.12 0.00 -0.28 0.00 0.00 59.70 59.62 1ies h MET 68 Cb -0.02 -0.13 -0.09 0.00 -0.80 0.00 0.00 31.60 30.57 1ies h MET 68 CO -0.03 0.49 0.16 0.37 0.23 0.00 0.00 176.91 178.13 1ies h GLN 69 N 0.60 0.29 -0.31 0.39 5.75 -0.92 -0.73 115.11 120.17 1ies h GLN 69 Ca 0.16 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.54 1ies h GLN 69 Cb 0.04 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1ies h GLN 69 CO -0.03 0.19 -0.25 -0.91 -2.65 0.00 0.00 178.83 175.19 1ies h ASN 70 N 0.30 0.63 -0.05 -0.69 2.35 -1.15 0.38 115.58 117.34 1ies h ASN 70 Ca 0.34 -0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 1ies h ASN 70 Cb 0.51 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1ies h ASN 70 CO -0.41 0.86 -0.22 1.56 -1.65 0.00 0.00 177.43 177.57 1ies h GLN 71 N 0.54 0.46 0.00 0.81 4.20 0.04 -3.09 115.11 118.07 1ies h GLN 71 Ca 0.08 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1ies h GLN 71 Cb 0.71 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1ies h GLN 71 CO 0.05 0.65 -0.32 0.54 -0.67 0.00 0.00 178.83 179.09 1ies n ARG 72 N -4.14 0.16 0.00 1.46 5.12 -0.50 -4.92 116.66 113.85 1ies n ARG 72 Ca -0.00 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1ies n ARG 72 Cb 0.38 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1ies n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ies n GLY 73 N 1.40 1.06 3.91 -0.13 0.00 -1.01 -4.09 105.19 106.34 1ies n GLY 73 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1ies n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ies s GLY 74 N -2.00 1.64 -0.13 -0.02 0.00 0.13 -4.69 107.32 102.25 1ies s GLY 74 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.02 1ies s GLY 74 CO 0.00 -0.33 -0.16 0.50 0.00 0.00 0.00 173.10 173.11 1ies s ARG 75 N -5.27 2.44 0.17 2.90 3.00 -1.26 -4.22 118.95 116.70 1ies s ARG 75 Ca 0.59 -0.63 -0.30 0.00 0.00 0.00 0.00 55.73 55.39 1ies s ARG 75 Cb -0.11 -2.10 -0.08 0.00 0.00 0.00 0.00 34.95 32.66 1ies s ARG 75 CO 0.47 -0.12 1.14 0.00 0.00 0.00 0.00 175.30 176.79 1ies s ALA 76 N 1.15 3.39 -0.00 2.13 0.00 -1.26 -4.97 121.76 122.20 1ies s ALA 76 Ca -0.02 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.83 1ies s ALA 76 Cb -0.14 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1ies s ALA 76 CO -0.06 -0.29 -0.09 -0.51 0.00 0.00 0.00 175.76 174.82 1ies s LEU 77 N -0.18 2.03 -0.06 0.00 1.43 -1.26 -5.13 118.68 115.50 1ies s LEU 77 Ca 0.51 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 1ies s LEU 77 Cb -0.30 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 1ies s LEU 77 CO 0.35 0.10 -0.18 -0.36 0.23 0.00 0.00 176.35 176.49 1ies s PHE 78 N -0.27 2.62 0.52 0.29 0.08 -1.26 -4.87 117.98 115.09 1ies s PHE 78 Ca 0.03 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.70 1ies s PHE 78 Cb -0.04 -1.65 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 1ies s PHE 78 CO -0.00 -0.01 0.18 -0.65 -0.10 0.00 0.00 175.22 174.64 1ies s GLN 79 N -0.38 2.22 0.58 0.44 1.11 -1.26 -5.12 119.66 117.25 1ies s GLN 79 Ca 0.03 -2.21 -0.19 0.00 0.01 0.00 0.00 55.36 53.01 1ies s GLN 79 Cb -0.12 -1.80 -0.04 0.00 -1.01 0.00 0.00 33.01 30.04 1ies s GLN 79 CO 0.02 -0.45 1.16 -0.51 0.01 0.00 0.00 175.29 175.52 1ies s ASP 80 N -4.05 5.41 -0.31 5.90 1.01 -1.26 -4.99 116.67 118.38 1ies s ASP 80 Ca 0.20 2.25 -0.09 0.00 0.71 0.00 0.00 52.55 55.62 1ies s ASP 80 Cb 0.00 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 1ies s ASP 80 CO 0.12 -1.44 0.13 -0.22 0.21 0.00 0.00 175.17 173.97 1ies s LEU 81 N -4.04 4.05 0.31 1.23 2.96 -1.26 -5.07 118.68 116.86 1ies s LEU 81 Ca 0.74 -0.60 -0.29 0.00 -0.22 0.00 0.00 54.13 53.76 1ies s LEU 81 Cb -0.26 -1.96 -0.10 0.00 0.50 0.00 0.00 46.19 44.37 1ies s LEU 81 CO 0.31 -0.20 1.16 -1.10 -1.32 0.00 0.00 176.35 175.20 1ies s GLN 82 N 1.58 4.50 0.76 1.98 -0.21 -1.26 -5.00 119.66 122.01 1ies s GLN 82 Ca 0.04 1.91 -0.14 0.00 0.02 0.00 0.00 55.36 57.18 1ies s GLN 82 Cb -0.17 -3.09 0.05 0.00 1.00 0.00 0.00 33.01 30.80 1ies s GLN 82 CO 0.05 0.05 1.21 -1.59 -2.12 0.00 0.00 175.29 172.89 1ies s LYS 83 N -1.64 1.98 0.51 2.91 -2.85 -1.26 -4.92 119.74 114.47 1ies s LYS 83 Ca 0.47 1.75 -0.21 0.00 -1.00 0.00 0.00 55.97 56.98 1ies s LYS 83 Cb -0.34 -1.82 -0.08 0.00 -2.06 0.00 0.00 37.83 33.54 1ies s LYS 83 CO 0.44 -1.96 0.93 -2.30 0.10 0.00 0.00 175.35 172.56 1ies n PRO 84 N -2.91 1.07 -0.35 1.78 -0.02 -1.26 -4.91 135.00 128.39 1ies n PRO 84 Ca 0.13 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 62.14 1ies n PRO 84 Cb 0.50 -2.05 0.33 0.00 -0.02 0.00 0.00 33.50 32.26 1ies n PRO 84 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ies h SER 85 N 0.95 0.77 -2.49 2.55 4.64 -1.98 -3.43 113.55 114.56 1ies h SER 85 Ca -0.46 0.09 -0.56 0.00 -0.47 0.00 0.00 61.79 60.39 1ies h SER 85 Cb 1.36 -0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 63.26 1ies h SER 85 CO 0.53 0.27 -0.73 -1.10 -0.87 0.00 0.00 176.83 174.93 1ies s GLN 86 N -5.83 1.61 -0.08 4.77 -0.21 -1.26 -5.04 119.66 113.61 1ies s GLN 86 Ca -0.11 -1.76 0.14 0.00 0.02 0.00 0.00 55.36 53.64 1ies s GLN 86 Cb 0.25 -1.52 -0.20 0.00 1.00 0.00 0.00 33.01 32.54 1ies s GLN 86 CO 0.80 0.22 0.18 -0.25 -2.12 0.00 0.00 175.29 174.12 1ies n ASP 87 N -0.59 1.56 -4.17 5.90 8.00 -1.26 -4.94 116.55 121.05 1ies n ASP 87 Ca -0.06 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.18 1ies n ASP 87 Cb 0.61 1.23 -0.16 0.00 -0.02 0.00 0.00 41.12 42.78 1ies n ASP 87 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ies s GLU 88 N -2.66 1.65 0.00 -1.24 2.02 -1.26 -5.01 118.70 112.20 1ies s GLU 88 Ca -0.06 -0.65 0.12 0.00 0.02 0.00 0.00 54.97 54.39 1ies s GLU 88 Cb 0.07 -1.52 0.15 0.00 0.10 0.00 0.00 34.13 32.93 1ies s GLU 88 CO 0.60 0.34 0.98 0.91 0.02 0.00 0.00 175.26 178.10 1ies n TRP 89 N 2.83 0.13 -0.96 1.61 7.02 -1.26 -5.08 117.44 121.72 1ies n TRP 89 Ca -0.16 -0.13 0.00 0.00 -1.02 0.00 0.00 57.50 56.19 1ies n TRP 89 Cb 0.53 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 1ies n TRP 89 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ies n GLY 90 N 0.63 0.58 3.95 6.99 0.00 -1.26 -3.64 105.19 112.45 1ies n GLY 90 Ca 0.08 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 1ies n GLY 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ies s THR 91 N 0.00 1.80 0.33 2.61 -4.23 -1.26 -4.90 115.64 109.99 1ies s THR 91 Ca 0.00 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1ies s THR 91 Cb 0.00 -2.12 0.29 0.00 1.34 0.00 0.00 72.50 72.01 1ies s THR 91 CO 0.00 0.00 1.93 0.74 -0.54 0.00 0.00 174.62 176.75 1ies h THR 92 N 0.53 1.04 -0.14 3.99 2.02 -1.98 0.80 112.91 119.17 1ies h THR 92 Ca -0.34 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 1ies h THR 92 Cb 1.30 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1ies h THR 92 CO 0.51 0.17 -0.02 0.25 0.37 0.00 0.00 175.52 176.79 1ies h LEU 93 N 0.91 0.27 -0.68 2.58 5.85 -1.95 0.46 115.31 122.74 1ies h LEU 93 Ca 0.36 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ies h LEU 93 Cb 0.25 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1ies h LEU 93 CO -0.13 0.56 0.43 0.44 -0.34 0.00 0.00 178.44 179.39 1ies h ASP 94 N -0.02 0.81 -0.47 1.25 3.32 -1.75 -1.61 116.42 117.95 1ies h ASP 94 Ca 0.04 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1ies h ASP 94 Cb 0.43 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1ies h ASP 94 CO 0.01 0.61 0.01 0.00 -1.72 0.00 0.00 179.24 178.16 1ies h ALA 95 N 1.23 0.63 -0.56 3.45 0.00 -0.48 -2.46 119.26 121.07 1ies h ALA 95 Ca 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ies h ALA 95 Cb -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1ies h ALA 95 CO -0.05 0.42 0.31 0.52 0.00 0.00 0.00 179.25 180.45 1ies h MET 96 N 0.68 0.78 -0.54 0.00 2.86 -0.74 -0.64 114.93 117.33 1ies h MET 96 Ca 0.14 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1ies h MET 96 Cb 0.49 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 1ies h MET 96 CO 0.02 0.60 0.32 0.87 1.06 0.00 0.00 176.91 179.78 1ies h LYS 97 N 0.76 0.61 -0.56 1.72 1.57 -1.29 0.94 116.57 120.32 1ies h LYS 97 Ca 0.20 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1ies h LYS 97 Cb 0.04 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1ies h LYS 97 CO -0.03 0.40 0.27 0.00 -0.57 0.00 0.00 179.45 179.52 1ies h ALA 98 N 1.25 0.72 -0.34 3.86 0.00 -1.13 -2.64 119.26 120.97 1ies h ALA 98 Ca 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ies h ALA 98 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ies h ALA 98 CO -0.11 0.28 0.11 0.00 0.00 0.00 0.00 179.25 179.53 1ies h ALA 99 N 1.11 0.45 -0.35 0.00 0.00 -0.70 -0.09 119.26 119.67 1ies h ALA 99 Ca 0.19 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ies h ALA 99 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ies h ALA 99 CO -0.03 0.08 -0.06 0.97 0.00 0.00 0.00 179.25 180.22 1ies h ILE 100 N 0.40 1.22 -0.44 0.00 2.10 -0.69 0.17 117.51 120.28 1ies h ILE 100 Ca 0.11 -0.95 -0.03 0.00 1.08 0.00 0.00 64.86 65.08 1ies h ILE 100 Cb 0.25 1.02 -0.02 0.00 -1.09 0.00 0.00 36.82 36.98 1ies h ILE 100 CO -0.00 0.32 0.17 0.58 -1.08 0.00 0.00 178.15 178.13 1ies h VAL 101 N 0.54 1.20 -0.26 2.19 2.07 -1.36 0.21 116.25 120.84 1ies h VAL 101 Ca 0.11 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1ies h VAL 101 Cb 0.44 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1ies h VAL 101 CO 0.02 0.23 0.14 0.25 0.02 0.00 0.00 177.57 178.23 1ies h LEU 102 N 0.56 0.21 -0.62 2.57 5.85 0.67 -1.86 115.31 122.69 1ies h LEU 102 Ca 0.14 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1ies h LEU 102 Cb 0.20 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1ies h LEU 102 CO -0.01 0.16 0.13 -0.33 -0.34 0.00 0.00 178.44 178.05 1ies h GLU 103 N 0.29 1.00 -0.74 1.25 4.39 -0.29 -2.12 114.58 118.36 1ies h GLU 103 Ca 0.11 -0.25 0.10 0.00 0.34 0.00 0.00 59.36 59.66 1ies h GLU 103 Cb 0.02 -0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 28.47 1ies h GLU 103 CO -0.07 0.92 0.36 0.87 -1.16 0.00 0.00 179.01 179.94 1ies h LYS 104 N 0.91 0.58 -0.59 2.33 6.56 -0.36 0.23 116.57 126.24 1ies h LYS 104 Ca 0.19 -0.04 -0.10 0.00 -1.06 0.00 0.00 60.65 59.65 1ies h LYS 104 Cb 0.38 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.89 1ies h LYS 104 CO 0.01 0.39 -0.02 0.66 -2.06 0.00 0.00 179.45 178.42 1ies h SER 105 N 0.60 1.03 -0.61 0.86 4.64 -0.86 -0.47 113.55 118.73 1ies h SER 105 Ca 0.37 -0.30 0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1ies h SER 105 Cb 0.43 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1ies h SER 105 CO -0.29 1.09 0.40 0.25 -0.87 0.00 0.00 176.83 177.41 1ies h LEU 106 N 0.95 0.69 -0.49 5.97 5.85 -0.68 -1.68 115.31 125.92 1ies h LEU 106 Ca 0.17 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1ies h LEU 106 Cb 0.57 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1ies h LEU 106 CO 0.03 0.49 0.19 -1.13 -0.34 0.00 0.00 178.44 177.69 1ies h ASN 107 N 0.81 0.69 -0.82 1.25 -0.00 -0.26 -1.26 115.58 115.99 1ies h ASN 107 Ca 0.23 -0.18 0.07 0.00 -0.00 0.00 0.00 56.30 56.42 1ies h ASN 107 Cb -0.07 -0.18 -0.06 0.00 -0.00 0.00 0.00 38.32 38.01 1ies h ASN 107 CO -0.06 0.68 0.49 -0.61 -0.00 0.00 0.00 177.43 177.93 1ies h GLN 108 N 0.66 0.86 -0.77 6.67 5.75 -0.91 -0.37 115.11 126.99 1ies h GLN 108 Ca 0.16 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1ies h GLN 108 Cb 0.21 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 1ies h GLN 108 CO -0.01 0.57 0.42 0.00 -2.65 0.00 0.00 178.83 177.16 1ies h ALA 109 N 1.41 0.99 -0.52 3.38 0.00 -0.73 0.13 119.26 123.91 1ies h ALA 109 Ca 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ies h ALA 109 Cb 0.22 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ies h ALA 109 CO -0.19 0.49 0.23 -0.07 0.00 0.00 0.00 179.25 179.71 1ies h LEU 110 N 1.06 0.70 -0.65 0.00 3.38 -0.87 -0.59 115.31 118.35 1ies h LEU 110 Ca 0.27 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1ies h LEU 110 Cb 0.03 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1ies h LEU 110 CO -0.04 0.66 0.42 -0.07 0.09 0.00 0.00 178.44 179.49 1ies h LEU 111 N 0.70 0.72 -0.41 1.67 4.07 -0.29 0.29 115.31 122.06 1ies h LEU 111 Ca 0.18 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 58.02 1ies h LEU 111 Cb 0.16 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1ies h LEU 111 CO -0.02 0.51 -0.15 0.44 -1.08 0.00 0.00 178.44 178.14 1ies h ASP 112 N 0.85 0.84 -0.61 -0.43 5.19 -0.58 -0.99 116.42 120.70 1ies h ASP 112 Ca 0.24 -0.39 -0.03 0.00 -0.62 0.00 0.00 57.03 56.23 1ies h ASP 112 Cb -0.07 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.18 1ies h ASP 112 CO -0.07 1.04 0.25 0.25 -3.12 0.00 0.00 179.24 177.59 1ies h LEU 113 N 0.64 0.84 -0.93 1.55 5.85 -0.51 -0.65 115.31 122.11 1ies h LEU 113 Ca 0.10 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1ies h LEU 113 Cb 0.70 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1ies h LEU 113 CO 0.05 0.78 0.61 -0.74 -0.34 0.00 0.00 178.44 178.79 1ies h HIS 114 N 0.85 1.14 -0.26 1.25 2.76 -0.23 -0.06 115.15 120.59 1ies h HIS 114 Ca 0.21 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1ies h HIS 114 Cb 0.19 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 1ies h HIS 114 CO 0.01 0.67 0.16 0.00 -1.30 0.00 0.00 177.93 177.47 1ies h ALA 115 N 1.37 0.33 -0.44 5.26 0.00 -0.28 -1.85 119.26 123.66 1ies h ALA 115 Ca 0.36 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1ies h ALA 115 Cb -0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1ies h ALA 115 CO -0.11 -0.17 0.12 1.25 0.00 0.00 0.00 179.25 180.34 1ies h LEU 116 N 0.33 0.09 -0.41 0.00 6.46 -0.49 0.93 115.31 122.22 1ies h LEU 116 Ca 0.09 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 1ies h LEU 116 Cb 0.01 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 39.95 1ies h LEU 116 CO -0.02 0.08 0.07 1.23 -0.62 0.00 0.00 178.44 179.18 1ies h GLY 117 N 0.27 0.48 1.35 3.75 0.00 -0.77 0.15 103.07 108.30 1ies h GLY 117 Ca 0.21 -0.01 -0.17 0.00 0.00 0.00 0.00 47.33 47.37 1ies h GLY 117 CO -0.25 -0.05 -0.52 1.48 0.00 0.00 0.00 176.54 177.20 1ies h SER 118 N 0.19 0.76 -0.79 0.19 4.64 -0.49 0.36 113.55 118.41 1ies h SER 118 Ca 0.20 -0.39 0.04 0.00 -0.47 0.00 0.00 61.79 61.17 1ies h SER 118 Cb 0.25 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 1ies h SER 118 CO -0.28 1.14 0.50 0.00 -0.87 0.00 0.00 176.83 177.32 1ies h ALA 119 N 0.88 1.05 -0.02 5.18 0.00 -0.27 -1.10 119.26 124.99 1ies h ALA 119 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ies h ALA 119 Cb 1.08 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ies h ALA 119 CO 0.11 0.29 0.00 1.04 0.00 0.00 0.00 179.25 180.69 1ies n GLN 120 N -4.62 1.13 -3.65 0.00 1.13 0.48 -4.93 117.38 106.92 1ies n GLN 120 Ca 0.10 -0.20 -0.26 0.00 -1.94 0.00 0.00 57.00 54.70 1ies n GLN 120 Cb 0.11 -1.38 0.04 0.00 0.11 0.00 0.00 30.24 29.12 1ies n GLN 120 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ies n ALA 121 N -0.66 -2.33 -3.64 -1.58 0.00 -0.42 -4.97 120.51 106.92 1ies n ALA 121 Ca 0.18 -0.17 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 1ies n ALA 121 Cb 0.13 -3.46 -0.07 0.00 0.00 0.00 0.00 19.45 16.05 1ies n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ies s ASP 122 N -3.81 5.76 0.41 0.00 -1.08 0.12 -4.96 116.67 113.10 1ies s ASP 122 Ca 0.29 -3.26 0.07 0.00 -0.52 0.00 0.00 52.55 49.12 1ies s ASP 122 Cb -0.09 -1.92 0.86 0.00 -1.46 0.00 0.00 42.92 40.31 1ies s ASP 122 CO 0.83 -0.30 2.06 1.55 0.52 0.00 0.00 175.17 179.83 1ies h PRO 123 N 6.61 0.55 -0.56 4.34 0.13 -1.93 -2.42 132.00 138.71 1ies h PRO 123 Ca 0.08 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 1ies h PRO 123 Cb 0.89 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1ies h PRO 123 CO 0.79 0.36 -0.08 1.25 -0.23 0.00 0.00 178.00 180.09 1ies h HIS 124 N 0.56 1.15 -0.15 1.56 -0.00 -1.97 0.96 115.15 117.26 1ies h HIS 124 Ca 0.16 -0.23 -0.06 0.00 -0.00 0.00 0.00 60.37 60.24 1ies h HIS 124 Cb -0.05 -0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 27.07 1ies h HIS 124 CO -0.00 1.05 -0.12 1.25 -0.00 0.00 0.00 177.93 180.11 1ies h LEU 125 N 0.92 0.37 -0.36 0.26 5.85 -1.86 0.81 115.31 121.30 1ies h LEU 125 Ca 0.15 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.46 1ies h LEU 125 Cb 0.65 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1ies h LEU 125 CO 0.04 0.75 0.07 0.00 -0.34 0.00 0.00 178.44 178.97 1ies h ASP 127 N 0.19 0.34 -0.34 0.00 3.58 -0.58 -1.64 116.42 117.97 1ies h ASP 127 Ca 0.17 -0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.61 1ies h ASP 127 Cb 0.19 -0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.08 1ies h ASP 127 CO -0.22 0.32 -0.17 0.15 -2.88 0.00 0.00 179.24 176.44 1ies h PHE 128 N 0.33 -0.43 -0.07 0.28 3.57 -0.16 0.25 116.94 120.72 1ies h PHE 128 Ca 0.10 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1ies h PHE 128 Cb 0.05 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1ies h PHE 128 CO -0.04 -0.25 0.05 -0.07 -2.23 0.00 0.00 178.31 175.77 1ies h LEU 129 N -0.12 0.09 -0.27 0.59 4.07 -0.93 -0.59 115.31 118.15 1ies h LEU 129 Ca 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1ies h LEU 129 Cb 0.38 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1ies h LEU 129 CO -0.42 0.09 0.17 -0.33 -1.08 0.00 0.00 178.44 176.88 1ies h GLU 130 N 0.07 0.36 -0.56 1.13 5.08 -0.85 0.10 114.58 119.92 1ies h GLU 130 Ca 0.03 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1ies h GLU 130 Cb 0.02 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1ies h GLU 130 CO -0.01 0.26 0.13 0.77 -1.00 0.00 0.00 179.01 179.16 1ies h SER 131 N 0.35 0.85 0.00 1.42 0.02 -0.33 -3.34 113.55 112.53 1ies h SER 131 Ca 0.10 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1ies h SER 131 Cb -0.01 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1ies h SER 131 CO -0.02 0.87 -1.53 1.41 -1.14 0.00 0.00 176.83 176.42 1ies n HIS 132 N -4.39 0.00 -0.01 3.45 8.25 -0.24 -4.86 115.22 117.42 1ies n HIS 132 Ca 0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1ies n HIS 132 Cb 0.24 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 1ies n HIS 132 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ies n PHE 133 N -1.91 0.00 -0.20 4.41 3.01 0.23 -4.64 117.46 118.37 1ies n PHE 133 Ca -0.02 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.39 1ies n PHE 133 Cb 0.32 -0.05 0.06 0.00 -0.01 0.00 0.00 39.48 39.80 1ies n PHE 133 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1ies h LEU 134 N -0.02 0.55 0.00 4.37 4.07 -1.32 -1.34 115.31 121.61 1ies h LEU 134 Ca -0.03 0.01 -0.23 0.00 0.08 0.00 0.00 57.88 57.71 1ies h LEU 134 Cb 1.04 -0.11 0.02 0.00 1.08 0.00 0.00 40.66 42.69 1ies h LEU 134 CO -0.01 0.38 -0.90 -0.78 -1.08 0.00 0.00 178.44 176.04 1ies h ASP 135 N 0.67 0.79 -0.83 -0.43 3.58 -1.84 -2.65 116.42 115.70 1ies h ASP 135 Ca 0.24 -0.75 0.14 0.00 0.42 0.00 0.00 57.03 57.08 1ies h ASP 135 Cb 0.05 -0.24 -0.09 0.00 1.72 0.00 0.00 39.33 40.77 1ies h ASP 135 CO -0.11 1.43 0.42 -0.08 -2.88 0.00 0.00 179.24 178.02 1ies h GLU 136 N 0.23 0.60 -0.68 0.28 4.81 -1.79 0.33 114.58 118.35 1ies h GLU 136 Ca -0.11 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.01 1ies h GLU 136 Cb 1.58 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.79 1ies h GLU 136 CO 0.18 0.40 0.17 1.49 -0.73 0.00 0.00 179.01 180.51 1ies h GLU 137 N 0.62 1.09 -0.42 1.92 4.57 -1.21 -0.11 114.58 121.03 1ies h GLU 137 Ca 0.45 -0.26 -0.15 0.00 -1.18 0.00 0.00 59.36 58.22 1ies h GLU 137 Cb 0.61 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1ies h GLU 137 CO -0.35 0.97 -0.32 0.28 -1.18 0.00 0.00 179.01 178.40 1ies h VAL 138 N 1.02 1.27 -0.33 0.32 2.07 -0.65 -2.18 116.25 117.76 1ies h VAL 138 Ca 0.21 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 1ies h VAL 138 Cb 0.36 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1ies h VAL 138 CO 0.00 0.51 0.01 0.11 0.02 0.00 0.00 177.57 178.22 1ies h LYS 139 N 0.80 0.58 -0.16 1.57 1.57 -0.92 -2.40 116.57 117.61 1ies h LYS 139 Ca 0.08 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1ies h LYS 139 Cb 0.91 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1ies h LYS 139 CO 0.08 0.69 0.08 1.25 -0.57 0.00 0.00 179.45 180.99 1ies h LEU 140 N 0.39 0.20 -1.56 2.94 5.85 -0.96 -1.28 115.31 120.88 1ies h LEU 140 Ca 0.10 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1ies h LEU 140 Cb 0.42 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1ies h LEU 140 CO 0.01 0.24 -0.04 0.40 -0.34 0.00 0.00 178.44 178.71 1ies h ILE 141 N 0.15 1.13 -0.28 4.05 2.04 -1.43 -0.36 117.51 122.82 1ies h ILE 141 Ca 0.05 -0.53 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 1ies h ILE 141 Cb 0.08 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1ies h ILE 141 CO -0.01 0.17 -0.18 0.50 0.00 0.00 0.00 178.15 178.63 1ies h LYS 142 N 0.22 0.61 -0.75 2.37 3.64 -0.96 0.60 116.57 122.30 1ies h LYS 142 Ca 0.05 -0.29 0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1ies h LYS 142 Cb 0.23 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 1ies h LYS 142 CO 0.01 0.87 0.39 -0.22 -2.27 0.00 0.00 179.45 178.23 1ies h LYS 143 N 0.35 0.62 -0.45 1.90 3.64 -0.18 0.20 116.57 122.64 1ies h LYS 143 Ca 0.06 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1ies h LYS 143 Cb 0.71 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1ies h LYS 143 CO 0.05 0.41 -0.18 0.52 -2.27 0.00 0.00 179.45 177.99 1ies h MET 144 N 0.64 0.88 -0.60 1.90 2.86 -0.94 0.04 114.93 119.72 1ies h MET 144 Ca 0.38 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1ies h MET 144 Cb 0.41 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1ies h MET 144 CO -0.28 0.99 0.37 0.78 1.06 0.00 0.00 176.91 179.83 1ies h GLY 145 N 0.94 0.86 0.94 8.32 0.00 0.80 0.24 103.07 115.17 1ies h GLY 145 Ca 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1ies h GLY 145 CO 0.05 0.24 0.15 -0.55 0.00 0.00 0.00 176.54 176.44 1ies h ASP 146 N 0.73 0.41 -0.31 0.19 3.32 -0.43 -2.43 116.42 117.90 1ies h ASP 146 Ca 0.24 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1ies h ASP 146 Cb 0.01 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1ies h ASP 146 CO -0.10 0.42 0.13 0.45 -1.72 0.00 0.00 179.24 178.42 1ies h HIS 147 N 0.37 0.23 -0.89 4.55 3.86 -0.44 -2.21 115.15 120.62 1ies h HIS 147 Ca 0.11 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.41 1ies h HIS 147 Cb 0.12 -0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.46 1ies h HIS 147 CO -0.02 0.11 0.55 -0.07 0.86 0.00 0.00 177.93 179.36 1ies h LEU 148 N 0.27 0.84 -0.45 2.43 3.38 -0.79 0.34 115.31 121.33 1ies h LEU 148 Ca 0.13 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 1ies h LEU 148 Cb 0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1ies h LEU 148 CO -0.12 0.51 -0.77 0.71 0.09 0.00 0.00 178.44 178.86 1ies h THR 149 N 0.96 1.51 -0.25 0.22 1.35 -1.20 -0.08 112.91 115.42 1ies h THR 149 Ca 0.41 -2.51 -0.16 0.00 -0.55 0.00 0.00 66.41 63.60 1ies h THR 149 Cb 0.27 2.36 -0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1ies h THR 149 CO -0.21 0.72 -0.50 0.78 -0.25 0.00 0.00 175.52 176.06 1ies h ASN 150 N 0.06 0.78 -0.11 5.36 4.21 -0.74 -1.77 115.58 123.36 1ies h ASN 150 Ca -0.02 -0.40 -0.01 0.00 1.21 0.00 0.00 56.30 57.09 1ies h ASN 150 Cb 1.35 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 38.33 1ies h ASN 150 CO 0.11 1.14 0.03 0.40 -1.29 0.00 0.00 177.43 177.82 1ies h ILE 151 N 0.55 1.18 -1.01 2.81 2.04 -0.83 -2.70 117.51 119.56 1ies h ILE 151 Ca 0.02 -0.56 0.10 0.00 1.00 0.00 0.00 64.86 65.42 1ies h ILE 151 Cb 1.07 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 38.43 1ies h ILE 151 CO 0.10 0.16 0.64 1.56 0.00 0.00 0.00 178.15 180.62 1ies h GLN 152 N -0.02 1.05 -0.04 2.37 4.20 -0.88 0.65 115.11 122.44 1ies h GLN 152 Ca 0.03 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 1ies h GLN 152 Cb 0.23 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1ies h GLN 152 CO -0.00 0.69 -0.48 0.07 -0.67 0.00 0.00 178.83 178.44 1ies h ARG 153 N 1.08 0.09 -0.00 1.46 0.11 -1.22 -0.90 114.38 114.99 1ies h ARG 153 Ca 0.47 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.50 1ies h ARG 153 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.44 1ies h ARG 153 CO -0.23 0.55 -0.01 -0.07 0.10 0.00 0.00 179.97 180.31 1ies h LEU 154 N 0.07 0.02 -1.21 0.08 3.38 -0.97 -3.05 115.31 113.63 1ies h LEU 154 Ca 0.00 -0.63 -0.08 0.00 0.09 0.00 0.00 57.88 57.26 1ies h LEU 154 Cb 0.88 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1ies h LEU 154 CO 0.07 0.64 -0.38 0.58 0.09 0.00 0.00 178.44 179.45 1ies h VAL 155 N -0.61 1.14 -0.43 1.22 2.07 -0.93 -2.24 116.25 116.47 1ies h VAL 155 Ca -0.00 -1.35 -0.11 0.00 0.82 0.00 0.00 66.70 66.06 1ies h VAL 155 Cb 0.64 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1ies h VAL 155 CO 0.00 0.37 -0.17 1.23 0.02 0.00 0.00 177.57 179.02 1ies h GLY 156 N 1.36 0.90 0.00 2.17 0.00 -1.20 -3.26 103.07 103.04 1ies h GLY 156 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1ies h GLY 156 CO 0.05 0.68 0.00 1.44 0.00 0.00 0.00 176.54 178.70 1ies n SER 157 N -4.13 0.00 -3.58 0.19 7.64 -0.92 -4.83 113.62 107.99 1ies n SER 157 Ca 0.01 0.75 -0.24 0.00 1.01 0.00 0.00 58.87 60.39 1ies n SER 157 Cb 0.41 -0.39 -0.16 0.00 -1.01 0.00 0.00 64.21 63.06 1ies n SER 157 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ies s GLN 158 N -2.07 0.10 0.17 1.43 -1.52 -0.89 -5.08 119.66 111.79 1ies s GLN 158 Ca 0.00 -0.05 -0.15 0.00 -1.95 0.00 0.00 55.36 53.22 1ies s GLN 158 Cb 0.00 -1.65 0.05 0.00 -0.22 0.00 0.00 33.01 31.19 1ies s GLN 158 CO 0.00 -0.69 1.81 0.00 -0.25 0.00 0.00 175.29 176.16 1ies h ALA 159 N 8.40 0.63 0.09 6.09 0.00 -1.76 0.37 119.26 133.07 1ies h ALA 159 Ca -0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ies h ALA 159 Cb 1.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ies h ALA 159 CO 0.30 0.10 -0.04 0.78 0.00 0.00 0.00 179.25 180.39 1ies h GLY 160 N 0.67 -0.12 0.88 0.00 0.00 -1.93 -1.21 103.07 101.36 1ies h GLY 160 Ca 0.18 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.58 1ies h GLY 160 CO -0.04 -0.04 0.42 -2.00 0.00 0.00 0.00 176.54 174.88 1ies h LEU 161 N -0.62 0.69 -0.04 3.11 5.85 -1.95 -1.20 115.31 121.15 1ies h LEU 161 Ca -0.01 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1ies h LEU 161 Cb 0.51 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1ies h LEU 161 CO 0.02 0.48 -0.16 1.23 -0.34 0.00 0.00 178.44 179.67 1ies h GLY 162 N 0.82 -0.16 0.95 3.75 0.00 -0.07 -1.68 103.07 106.67 1ies h GLY 162 Ca 0.27 0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.80 1ies h GLY 162 CO -0.10 -0.15 0.38 0.83 0.00 0.00 0.00 176.54 177.50 1ies h GLU 163 N -0.24 0.75 0.11 4.80 5.08 -0.83 -1.87 114.58 122.38 1ies h GLU 163 Ca 0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1ies h GLU 163 Cb 0.32 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ies h GLU 163 CO -0.18 0.50 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.35 1ies h TYR 164 N 0.77 -0.14 -0.10 4.33 3.20 -0.98 -2.71 116.97 121.34 1ies h TYR 164 Ca 0.23 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.03 1ies h TYR 164 Cb -0.04 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1ies h TYR 164 CO -0.04 -0.07 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.08 1ies h LEU 165 N -0.16 0.17 -0.12 2.82 3.38 -1.19 0.12 115.31 120.33 1ies h LEU 165 Ca -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ies h LEU 165 Cb 0.13 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ies h LEU 165 CO 0.02 0.43 0.03 0.15 0.09 0.00 0.00 178.44 179.17 1ies h PHE 166 N 0.16 0.20 -0.41 1.13 3.57 -1.28 0.54 116.94 120.85 1ies h PHE 166 Ca 0.03 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1ies h PHE 166 Cb 0.54 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1ies h PHE 166 CO 0.01 0.34 0.14 1.49 -2.23 0.00 0.00 178.31 178.06 1ies h GLU 167 N -0.00 0.63 -0.03 1.11 4.22 -1.22 0.25 114.58 119.54 1ies h GLU 167 Ca 0.04 -0.13 -0.00 0.00 0.08 0.00 0.00 59.36 59.35 1ies h GLU 167 Cb 0.24 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1ies h GLU 167 CO -0.00 0.61 0.00 0.00 -2.18 0.00 0.00 179.01 177.44 1ies h ARG 168 N 0.52 0.05 0.00 1.92 -0.00 -0.62 0.65 114.38 116.89 1ies h ARG 168 Ca 0.13 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.60 1ies h ARG 168 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.20 1ies h ARG 168 CO -0.01 0.33 -1.51 1.28 0.00 0.00 0.00 179.97 180.06 1ies n LEU 169 N -4.92 0.42 -0.06 3.04 4.77 0.19 -3.61 117.00 116.84 1ies n LEU 169 Ca -0.07 -0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 55.57 1ies n LEU 169 Cb 0.17 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1ies n LEU 169 CO 0.34 0.10 -0.74 0.41 -1.33 0.00 0.00 177.39 176.18 1ies n THR 170 N -1.89 1.13 0.09 -5.08 -1.04 0.76 -4.15 114.28 104.10 1ies n THR 170 Ca -0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1ies n THR 170 Cb 0.44 -1.87 -0.11 0.00 -1.82 0.00 0.00 70.33 66.97 1ies n THR 170 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1ies h LEU 171 N -0.58 0.35 -1.58 -4.42 4.07 -1.08 -2.45 115.31 109.62 1ies h LEU 171 Ca -0.21 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.40 1ies h LEU 171 Cb 0.98 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1ies h LEU 171 CO -0.13 1.25 0.00 1.17 -1.08 0.00 0.00 178.44 179.65 1ies n LYS 172 N -3.54 2.14 -1.21 1.13 4.81 0.22 -4.39 118.16 117.33 1ies n LYS 172 Ca -0.06 -1.31 -0.02 0.00 -0.87 0.00 0.00 58.31 56.04 1ies n LYS 172 Cb 0.97 -1.47 -0.03 0.00 0.02 0.00 0.00 35.03 34.52 1ies n LYS 172 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ies n HIS 173 N 0.43 0.00 -1.99 5.64 8.25 -1.19 -4.92 115.22 121.44 1ies n HIS 173 Ca 0.12 -0.49 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1ies n HIS 173 Cb 0.43 0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.74 1ies n HIS 173 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51