#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h s ARG 16 N 0.00 2.84 -0.00 1.96 0.52 -1.25 -3.43 118.95 119.59 1s1h s ARG 16 Ca 0.00 -2.37 -0.00 0.00 -0.52 0.00 0.00 55.73 52.84 1s1h s ARG 16 Cb 0.00 -3.96 -0.00 0.00 0.52 0.00 0.00 34.95 31.51 1s1h s ARG 16 CO 0.00 -1.21 0.24 -0.07 0.02 0.00 0.00 175.30 174.28 1s1h h LEU 17 N 7.51 -0.01-10.65 2.53 4.07 -1.82 -3.46 115.31 113.49 1s1h h LEU 17 Ca -0.02 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.47 1s1h h LEU 17 Cb 1.00 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.79 1s1h h LEU 17 CO 0.75 0.00 -0.02 -0.76 -1.08 0.00 0.00 178.44 177.33 1s1h s LEU 18 N -4.10 3.10 -0.19 1.67 2.01 -1.26 -4.87 118.68 115.04 1s1h s LEU 18 Ca -0.00 -0.57 -0.36 0.00 0.01 0.00 0.00 54.13 53.21 1s1h s LEU 18 Cb 0.00 -1.92 -0.13 0.00 0.01 0.00 0.00 46.19 44.15 1s1h s LEU 18 CO 0.00 -1.51 1.88 0.59 1.01 0.00 0.00 176.35 178.33 1s1h n ASN 19 N -2.47 2.92 -3.62 2.29 3.02 -1.26 0.82 115.26 116.96 1s1h n ASN 19 Ca 0.14 0.92 -0.27 0.00 -0.03 0.00 0.00 54.58 55.35 1s1h n ASN 19 Cb 0.61 -1.28 0.01 0.00 -0.61 0.00 0.00 39.78 38.51 1s1h n ASN 19 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1s1h n THR 20 N 5.29 -1.57 -3.78 3.41 -1.04 -1.26 -4.93 114.28 110.39 1s1h n THR 20 Ca 0.27 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.91 1s1h n THR 20 Cb 0.23 -2.48 -0.13 0.00 -1.82 0.00 0.00 70.33 66.13 1s1h n THR 20 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1s1h s ASN 21 N -3.01 4.99 -0.40 8.00 -0.87 0.24 -5.02 114.94 118.88 1s1h s ASN 21 Ca 0.53 -0.40 0.02 0.00 -1.57 0.00 0.00 52.86 51.43 1s1h s ASN 21 Cb -0.27 -1.88 0.15 0.00 -0.02 0.00 0.00 41.25 39.23 1s1h s ASN 21 CO 0.65 -0.09 0.26 0.54 -2.57 0.00 0.00 177.10 175.90 1s1h s VAL 22 N 1.55 0.51 0.12 1.60 0.11 -1.26 -2.09 120.40 120.94 1s1h s VAL 22 Ca 0.05 -2.22 -0.29 0.00 -2.93 0.00 0.00 61.98 56.59 1s1h s VAL 22 Cb -0.16 -1.37 -0.06 0.00 -1.53 0.00 0.00 36.38 33.27 1s1h s VAL 22 CO 0.02 -1.05 0.92 1.51 -3.33 0.00 0.00 175.10 173.18 1s1h s ASP 23 N 0.56 7.47 0.18 3.54 1.47 -1.22 -4.98 116.67 123.67 1s1h s ASP 23 Ca 0.23 1.75 -0.13 0.00 1.18 0.00 0.00 52.55 55.58 1s1h s ASP 23 Cb -0.14 -2.57 0.01 0.00 -0.34 0.00 0.00 42.92 39.87 1s1h s ASP 23 CO -0.06 -0.02 0.39 -0.83 0.68 0.00 0.00 175.17 175.33 1s1h s GLY 24 N -0.17 0.19 -1.33 2.12 0.00 -1.26 -3.75 107.32 103.12 1s1h s GLY 24 Ca 0.45 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1s1h s GLY 24 CO 0.29 -0.56 0.00 1.16 0.00 0.00 0.00 173.10 173.99 1s1h n ASN 25 N -0.27 -4.34 -3.59 1.64 0.23 -1.26 -4.91 115.26 102.75 1s1h n ASN 25 Ca -0.09 0.19 -0.15 0.00 -0.53 0.00 0.00 54.58 54.00 1s1h n ASN 25 Cb 0.63 -3.73 -0.07 0.00 -2.08 0.00 0.00 39.78 34.53 1s1h n ASN 25 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1s1h s ILE 26 N -2.62 0.00 0.46 1.53 2.07 -1.26 -4.83 121.20 116.54 1s1h s ILE 26 Ca 0.00 -1.79 -0.24 0.00 -1.41 0.00 0.00 60.65 57.21 1s1h s ILE 26 Cb 0.00 -2.51 -0.09 0.00 0.13 0.00 0.00 42.46 39.99 1s1h s ILE 26 CO 0.00 0.00 1.13 0.29 -1.91 0.00 0.00 174.94 174.45 1s1h n LYS 27 N -0.49 1.52 -0.24 3.50 4.76 -1.26 -0.39 118.16 125.56 1s1h n LYS 27 Ca 0.03 0.55 -0.07 0.00 -2.87 0.00 0.00 58.31 55.95 1s1h n LYS 27 Cb 0.63 -2.23 0.04 0.00 -1.84 0.00 0.00 35.03 31.63 1s1h n LYS 27 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1s1h h ILE 28 N 1.57 1.23 0.23 -0.18 6.09 -1.06 0.21 117.51 125.60 1s1h h ILE 28 Ca -0.47 -0.71 -0.00 0.00 -1.37 0.00 0.00 64.86 62.31 1s1h h ILE 28 Cb 1.32 0.48 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 1s1h h ILE 28 CO 0.57 0.28 -0.19 0.58 -3.07 0.00 0.00 178.15 176.33 1s1h h VAL 29 N 0.92 0.60 -0.79 2.19 2.07 -1.88 0.51 116.25 119.86 1s1h h VAL 29 Ca 0.22 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 1s1h h VAL 29 Cb 0.18 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1s1h h VAL 29 CO -0.02 0.00 0.43 0.22 0.02 0.00 0.00 177.57 178.22 1s1h h TYR 30 N -0.43 1.09 -0.90 1.57 3.20 -1.82 -1.54 116.97 118.14 1s1h h TYR 30 Ca -0.01 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1s1h h TYR 30 Cb 0.38 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1s1h h TYR 30 CO -0.13 0.76 0.53 0.00 -1.64 0.00 0.00 178.16 177.69 1s1h h ALA 31 N 1.23 1.15 -0.35 1.82 0.00 0.14 -0.14 119.26 123.11 1s1h h ALA 31 Ca 0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1s1h h ALA 31 Cb 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1s1h h ALA 31 CO -0.04 0.62 0.21 -0.07 0.00 0.00 0.00 179.25 179.97 1s1h h LEU 32 N 1.24 0.40 -2.14 0.00 4.07 0.10 -1.26 115.31 117.73 1s1h h LEU 32 Ca 0.32 -0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.33 1s1h h LEU 32 Cb -0.04 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1s1h h LEU 32 CO -0.06 0.31 0.20 0.74 -1.08 0.00 0.00 178.44 178.55 1s1h h THR 33 N 0.47 0.64 -0.09 0.22 2.02 -0.68 0.16 112.91 115.65 1s1h h THR 33 Ca 0.13 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.33 1s1h h THR 33 Cb -0.03 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1s1h h THR 33 CO -0.02 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.01 1s1h h THR 34 N 0.00 0.33 -4.04 3.16 1.03 -1.26 -3.42 112.91 108.71 1s1h h THR 34 Ca 0.11 0.00 -0.48 0.00 -0.01 0.00 0.00 66.41 66.02 1s1h h THR 34 Cb 0.50 0.88 0.04 0.00 -1.07 0.00 0.00 68.15 68.50 1s1h h THR 34 CO -0.00 0.00 0.41 -0.63 -0.01 0.00 0.00 175.52 175.29 1s1h s ILE 35 N -4.47 3.58 0.15 0.00 1.01 0.56 -4.96 121.20 117.06 1s1h s ILE 35 Ca -0.05 1.05 -0.14 0.00 0.00 0.00 0.00 60.65 61.52 1s1h s ILE 35 Cb 0.14 -3.47 0.03 0.00 0.01 0.00 0.00 42.46 39.17 1s1h s ILE 35 CO 0.49 -0.14 1.67 0.50 0.00 0.00 0.00 174.94 177.46 1s1h h LYS 36 N 1.75 0.75 0.00 2.79 1.63 -1.88 -3.05 116.57 118.56 1s1h h LYS 36 Ca -0.49 -0.16 -0.07 0.00 -0.85 0.00 0.00 60.65 59.08 1s1h h LYS 36 Cb 1.23 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 1s1h h LYS 36 CO 0.59 0.71 -0.33 0.78 -3.45 0.00 0.00 179.45 177.76 1s1h h GLY 37 N 0.65 0.00 -5.09 5.01 0.00 -1.90 -3.47 103.07 98.28 1s1h h GLY 37 Ca 0.16 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.83 1s1h h GLY 37 CO -0.01 0.00 -0.57 0.54 0.00 0.00 0.00 176.54 176.51 1s1h s VAL 38 N -3.67 4.78 0.22 4.60 0.11 -1.16 -4.75 120.40 120.53 1s1h s VAL 38 Ca -0.00 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1s1h s VAL 38 Cb 0.11 -3.17 -0.00 0.00 -1.53 0.00 0.00 36.38 31.79 1s1h s VAL 38 CO 0.67 0.38 0.05 0.61 -3.33 0.00 0.00 175.10 173.48 1s1h n GLY 39 N 1.29 3.76 0.37 6.54 0.00 -1.26 -4.55 105.19 111.33 1s1h n GLY 39 Ca -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 46.02 43.76 1s1h n GLY 39 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1s1h h ARG 40 N 0.00 1.20 -0.20 1.61 3.08 -1.95 -0.20 114.38 117.92 1s1h h ARG 40 Ca -0.17 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.69 1s1h h ARG 40 Cb 0.60 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1s1h h ARG 40 CO 0.28 0.80 -0.31 -0.09 -1.07 0.00 0.00 179.97 179.58 1s1h h ARG 41 N 1.24 0.57 -0.59 0.04 2.43 -2.00 -3.07 114.38 112.99 1s1h h ARG 41 Ca 0.34 -0.34 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1s1h h ARG 41 Cb -0.12 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1s1h h ARG 41 CO -0.08 0.94 0.39 1.88 -1.51 0.00 0.00 179.97 181.59 1s1h h TYR 42 N 0.24 0.65 -0.02 2.20 -1.99 -1.77 -1.33 116.97 114.95 1s1h h TYR 42 Ca 0.02 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.79 1s1h h TYR 42 Cb 0.89 -0.22 -0.04 0.00 2.00 0.00 0.00 36.73 39.37 1s1h h TYR 42 CO 0.09 0.37 -0.16 0.77 -0.00 0.00 0.00 178.16 179.23 1s1h h SER 43 N 0.67 -0.47 -0.42 3.88 0.02 -0.96 -0.09 113.55 116.16 1s1h h SER 43 Ca 0.24 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.22 1s1h h SER 43 Cb 0.12 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1s1h h SER 43 CO -0.07 -0.22 0.11 0.78 -1.14 0.00 0.00 176.83 176.29 1s1h h ASN 44 N -0.25 0.70 0.06 3.07 4.21 -1.25 -2.28 115.58 119.82 1s1h h ASN 44 Ca 0.06 -0.12 -0.00 0.00 1.21 0.00 0.00 56.30 57.45 1s1h h ASN 44 Cb 0.33 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 1s1h h ASN 44 CO -0.17 0.70 -0.03 -0.07 -1.29 0.00 0.00 177.43 176.57 1s1h h LEU 45 N 0.72 -0.06 -0.96 1.61 -0.00 -0.99 0.74 115.31 116.37 1s1h h LEU 45 Ca 0.16 -0.18 0.06 0.00 -0.00 0.00 0.00 57.88 57.91 1s1h h LEU 45 Cb 0.29 0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 40.90 1s1h h LEU 45 CO -0.00 0.15 0.62 0.58 -0.00 0.00 0.00 178.44 179.78 1s1h h VAL 46 N -0.27 1.10 -0.27 1.22 2.07 -0.84 0.47 116.25 119.73 1s1h h VAL 46 Ca -0.01 -0.39 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 1s1h h VAL 46 Cb 0.24 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1s1h h VAL 46 CO 0.01 0.21 -0.45 0.00 0.02 0.00 0.00 177.57 177.36 1s1h h LYS 48 N 0.55 -0.54 -0.35 0.00 3.64 0.51 0.45 116.57 120.83 1s1h h LYS 48 Ca 0.03 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1s1h h LYS 48 Cb 1.00 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1s1h h LYS 48 CO 0.09 -0.27 -0.00 -0.22 -2.27 0.00 0.00 179.45 176.79 1s1h h LYS 49 N -0.75 0.62 0.00 1.90 1.63 -0.96 -1.60 116.57 117.41 1s1h h LYS 49 Ca -0.06 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1s1h h LYS 49 Cb 0.52 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1s1h h LYS 49 CO 0.09 0.74 -0.02 0.00 -3.45 0.00 0.00 179.45 176.81 1s1h h ALA 50 N 0.86 1.23 -5.48 5.00 0.00 -1.34 -3.46 119.26 116.08 1s1h h ALA 50 Ca 0.10 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.73 1s1h h ALA 50 Cb 0.46 -0.00 0.19 0.00 0.00 0.00 0.00 17.79 18.44 1s1h h ALA 50 CO 0.02 0.02 -0.84 -0.25 0.00 0.00 0.00 179.25 178.20 1s1h n ASP 51 N -3.44 -5.70 -4.20 0.00 8.00 0.15 -4.98 116.55 106.38 1s1h n ASP 51 Ca -0.03 -0.69 -0.19 0.00 0.71 0.00 0.00 54.79 54.59 1s1h n ASP 51 Cb 0.11 -5.18 -0.12 0.00 -0.02 0.00 0.00 41.12 35.92 1s1h n ASP 51 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1s1h s VAL 52 N -3.38 1.24 0.19 2.53 -7.23 -0.48 -5.04 120.40 108.24 1s1h s VAL 52 Ca 0.36 -1.39 -0.31 0.00 -1.81 0.00 0.00 61.98 58.84 1s1h s VAL 52 Cb -0.05 -1.20 -0.10 0.00 0.56 0.00 0.00 36.38 35.59 1s1h s VAL 52 CO 0.73 -0.21 1.52 -0.62 -0.31 0.00 0.00 175.10 176.21 1s1h s ASP 53 N -1.83 6.61 0.18 4.85 2.15 -1.26 -4.68 116.67 122.69 1s1h s ASP 53 Ca 0.00 2.62 -0.07 0.00 0.43 0.00 0.00 52.55 55.54 1s1h s ASP 53 Cb -0.10 -2.60 0.07 0.00 -0.30 0.00 0.00 42.92 39.99 1s1h s ASP 53 CO 0.03 -0.78 1.54 -0.07 -0.17 0.00 0.00 175.17 175.72 1s1h h LEU 54 N 6.21 0.86 -1.40 -1.34 4.07 -1.99 -3.21 115.31 118.51 1s1h h LEU 54 Ca -0.44 -0.37 -0.06 0.00 0.08 0.00 0.00 57.88 57.10 1s1h h LEU 54 Cb 1.21 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1s1h h LEU 54 CO 0.87 1.12 -0.23 0.45 -1.08 0.00 0.00 178.44 179.57 1s1h h HIS 55 N 0.68 0.12 -2.85 1.13 3.86 -1.97 -2.36 115.15 113.76 1s1h h HIS 55 Ca 0.07 -0.02 -0.58 0.00 -1.16 0.00 0.00 60.37 58.68 1s1h h HIS 55 Cb 0.90 -0.03 0.09 0.00 1.06 0.00 0.00 27.41 29.43 1s1h h HIS 55 CO 0.05 0.33 0.54 1.17 0.86 0.00 0.00 177.93 180.88 1s1h n LYS 56 N -4.22 2.00 -2.44 2.45 4.81 -1.22 -4.63 118.16 114.91 1s1h n LYS 56 Ca -0.02 0.71 -0.35 0.00 -0.87 0.00 0.00 58.31 57.78 1s1h n LYS 56 Cb 0.31 -2.32 -0.02 0.00 0.02 0.00 0.00 35.03 33.02 1s1h n LYS 56 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1s1h s ARG 57 N -0.96 3.76 0.26 1.64 6.06 -1.26 -2.41 118.95 126.03 1s1h s ARG 57 Ca 0.63 1.51 -0.04 0.00 -2.50 0.00 0.00 55.73 55.33 1s1h s ARG 57 Cb -0.63 -2.20 0.36 0.00 0.06 0.00 0.00 34.95 32.54 1s1h s ARG 57 CO 0.54 -0.49 1.89 0.00 -2.50 0.00 0.00 175.30 174.74 1s1h h ALA 58 N 1.72 1.33 -0.71 6.12 0.00 -1.01 0.11 119.26 126.81 1s1h h ALA 58 Ca -0.49 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1s1h h ALA 58 Cb 1.23 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1s1h h ALA 58 CO 0.59 0.47 0.23 0.78 0.00 0.00 0.00 179.25 181.32 1s1h h GLY 59 N 1.19 1.17 2.00 0.00 0.00 -1.91 -2.42 103.07 103.10 1s1h h GLY 59 Ca 0.41 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1s1h h GLY 59 CO -0.15 0.63 -0.02 -2.09 0.00 0.00 0.00 176.54 174.91 1s1h h GLU 60 N 1.05 0.00 -6.98 4.80 4.57 -1.17 -3.45 114.58 113.41 1s1h h GLU 60 Ca 0.23 0.00 -0.45 0.00 -1.18 0.00 0.00 59.36 57.96 1s1h h GLU 60 Cb 0.28 0.00 0.22 0.00 -0.16 0.00 0.00 28.75 29.09 1s1h h GLU 60 CO -0.01 0.02 -0.35 1.28 -1.18 0.00 0.00 179.01 178.77 1s1h n LEU 61 N -3.20 -1.34 -4.79 1.64 4.77 -0.88 -4.92 117.00 108.27 1s1h n LEU 61 Ca -0.02 -0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.59 1s1h n LEU 61 Cb 0.18 -1.18 -0.06 0.00 -2.33 0.00 0.00 43.42 40.03 1s1h n LEU 61 CO 0.24 -3.18 -0.24 -0.89 -1.33 0.00 0.00 177.39 171.99 1s1h s THR 62 N -2.37 4.56 0.34 -5.08 2.01 -1.26 -5.00 115.64 108.83 1s1h s THR 62 Ca 0.64 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.80 1s1h s THR 62 Cb -0.21 -3.25 0.18 0.00 0.01 0.00 0.00 72.50 69.23 1s1h s THR 62 CO 0.65 0.03 1.90 1.56 -0.69 0.00 0.00 174.62 178.08 1s1h h GLN 63 N 2.93 0.62 -0.39 4.92 1.08 -1.98 0.54 115.11 122.82 1s1h h GLN 63 Ca -0.47 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 56.59 1s1h h GLN 63 Cb 1.18 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 1s1h h GLN 63 CO 0.65 0.57 0.10 1.49 -0.95 0.00 0.00 178.83 180.69 1s1h h GLU 64 N 0.60 0.62 -0.65 1.46 4.22 -2.00 -1.46 114.58 117.37 1s1h h GLU 64 Ca 0.14 -0.14 -0.08 0.00 0.08 0.00 0.00 59.36 59.36 1s1h h GLU 64 Cb 0.23 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1s1h h GLU 64 CO -0.00 0.64 0.11 0.93 -2.18 0.00 0.00 179.01 178.51 1s1h h GLU 65 N 0.49 1.08 -0.60 1.92 5.08 -1.75 -2.11 114.58 118.68 1s1h h GLU 65 Ca 0.12 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1s1h h GLU 65 Cb 0.29 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1s1h h GLU 65 CO -0.00 0.99 0.40 1.25 -1.00 0.00 0.00 179.01 180.65 1s1h h LEU 66 N 1.00 0.67 -0.15 1.33 6.46 -0.60 0.16 115.31 124.18 1s1h h LEU 66 Ca 0.20 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 1s1h h LEU 66 Cb 0.43 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1s1h h LEU 66 CO 0.01 0.48 -0.10 -0.08 -0.62 0.00 0.00 178.44 178.13 1s1h h GLU 67 N 0.79 0.33 -0.48 1.25 4.81 -0.62 0.25 114.58 120.90 1s1h h GLU 67 Ca 0.23 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1s1h h GLU 67 Cb -0.05 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1s1h h GLU 67 CO -0.05 0.68 0.20 -0.09 -0.73 0.00 0.00 179.01 179.01 1s1h h ARG 68 N -0.02 0.72 -0.24 1.92 2.43 -0.81 0.49 114.38 118.87 1s1h h ARG 68 Ca 0.03 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1s1h h ARG 68 Cb 0.59 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1s1h h ARG 68 CO 0.03 0.64 -0.03 -0.84 -1.51 0.00 0.00 179.97 178.26 1s1h h ILE 69 N 0.64 1.27 -0.36 1.20 3.07 -0.77 0.43 117.51 123.00 1s1h h ILE 69 Ca 0.16 -0.99 -0.01 0.00 1.55 0.00 0.00 64.86 65.57 1s1h h ILE 69 Cb 0.19 1.45 -0.02 0.00 -0.27 0.00 0.00 36.82 38.17 1s1h h ILE 69 CO -0.01 0.31 0.19 0.58 -1.05 0.00 0.00 178.15 178.16 1s1h h VAL 70 N 0.19 1.15 -0.23 0.16 2.07 -0.39 0.14 116.25 119.34 1s1h h VAL 70 Ca 0.06 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1s1h h VAL 70 Cb 0.47 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1s1h h VAL 70 CO 0.02 0.15 -0.08 1.56 0.02 0.00 0.00 177.57 179.24 1s1h h GLN 71 N 0.45 0.46 -0.18 1.57 1.08 0.02 0.11 115.11 118.62 1s1h h GLN 71 Ca 0.12 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1s1h h GLN 71 Cb 0.07 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1s1h h GLN 71 CO -0.02 0.71 0.05 0.97 -0.95 0.00 0.00 178.83 179.59 1s1h h ILE 72 N 0.18 1.20 -0.02 2.54 2.10 0.18 -0.92 117.51 122.78 1s1h h ILE 72 Ca 0.06 -0.62 -0.00 0.00 1.08 0.00 0.00 64.86 65.37 1s1h h ILE 72 Cb 0.56 1.27 -0.00 0.00 -1.09 0.00 0.00 36.82 37.55 1s1h h ILE 72 CO 0.03 0.19 -0.00 0.24 -1.08 0.00 0.00 178.15 177.53 1s1h h MET 73 N 0.11 0.04 -0.56 2.19 2.86 -1.02 -3.31 114.93 115.23 1s1h h MET 73 Ca 0.06 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1s1h h MET 73 Cb 0.25 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1s1h h MET 73 CO -0.00 0.36 0.20 0.37 1.06 0.00 0.00 176.91 178.91 1s1h h GLN 74 N -0.29 0.83 -5.97 1.72 5.75 -0.85 -3.32 115.11 112.98 1s1h h GLN 74 Ca 0.01 -0.14 -0.72 0.00 -0.15 0.00 0.00 58.65 57.65 1s1h h GLN 74 Cb 0.35 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1s1h h GLN 74 CO 0.00 0.70 1.37 0.09 -2.65 0.00 0.00 178.83 178.34 1s1h n ASN 75 N -4.31 1.30 -0.14 -0.69 3.02 -0.36 -4.77 115.26 109.30 1s1h n ASN 75 Ca 0.05 0.56 0.06 0.00 -0.03 0.00 0.00 54.58 55.21 1s1h n ASN 75 Cb 0.18 -1.05 0.36 0.00 -0.61 0.00 0.00 39.78 38.66 1s1h n ASN 75 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1s1h h PRO 76 N 10.48 0.70 -5.03 3.52 0.13 -1.85 -3.20 132.00 136.75 1s1h h PRO 76 Ca -0.17 -0.04 -0.55 0.00 -0.87 0.00 0.00 66.00 64.37 1s1h h PRO 76 Cb 1.38 -0.16 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 1s1h h PRO 76 CO 1.07 0.47 -0.51 0.95 -0.23 0.00 0.00 178.00 179.74 1s1h s THR 77 N -5.64 0.57 0.37 1.56 -4.23 -1.26 -4.42 115.64 102.58 1s1h s THR 77 Ca -0.09 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.14 1s1h s THR 77 Cb 0.19 -2.36 -0.10 0.00 1.34 0.00 0.00 72.50 71.57 1s1h s THR 77 CO 0.76 0.00 1.36 -1.38 -0.54 0.00 0.00 174.62 174.82 1s1h s HIS 78 N -3.23 2.85 0.00 3.99 -3.43 -1.26 -4.37 115.29 109.84 1s1h s HIS 78 Ca 0.25 1.34 0.00 0.00 -0.80 0.00 0.00 55.06 55.85 1s1h s HIS 78 Cb 0.03 -3.78 0.00 0.00 -1.43 0.00 0.00 32.58 27.40 1s1h s HIS 78 CO 0.15 -2.25 0.00 0.66 -2.00 0.00 0.00 174.74 171.30 1s1h n TYR 79 N 0.51 -0.26 -0.05 0.38 4.01 -1.26 -4.98 117.16 115.51 1s1h n TYR 79 Ca 0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.76 1s1h n TYR 79 Cb 0.42 0.00 0.31 0.00 -0.31 0.00 0.00 39.34 39.76 1s1h n TYR 79 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1s1h h LYS 80 N 0.00 0.64 -5.39 -0.72 3.64 -2.05 -3.39 116.57 109.29 1s1h h LYS 80 Ca 0.00 -0.09 -0.62 0.00 -1.27 0.00 0.00 60.65 58.67 1s1h h LYS 80 Cb 0.00 -0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 31.57 1s1h h LYS 80 CO 0.00 0.53 -0.53 -1.50 -2.27 0.00 0.00 179.45 175.68 1s1h s ILE 81 N -5.28 5.03 0.67 2.00 1.10 -1.26 -5.06 121.20 118.40 1s1h s ILE 81 Ca -0.09 0.05 -0.17 0.00 -0.51 0.00 0.00 60.65 59.93 1s1h s ILE 81 Cb 0.16 -3.25 -0.01 0.00 0.15 0.00 0.00 42.46 39.51 1s1h s ILE 81 CO 0.76 0.49 0.99 -0.81 -2.11 0.00 0.00 174.94 174.27 1s1h n PRO 82 N 3.18 0.70 -3.96 3.50 -0.04 -1.26 -4.89 135.00 132.22 1s1h n PRO 82 Ca -0.17 0.29 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1s1h n PRO 82 Cb 0.53 -2.23 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 1s1h n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s1h s ALA 83 N -1.67 -0.25 -0.31 0.55 0.00 -1.26 -4.88 121.76 113.94 1s1h s ALA 83 Ca 0.75 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.83 1s1h s ALA 83 Cb -0.37 1.01 0.02 0.00 0.00 0.00 0.00 23.12 23.77 1s1h s ALA 83 CO 0.48 -0.80 0.10 -1.58 0.00 0.00 0.00 175.76 173.96 1s1h s TRP 84 N -3.99 3.18 0.06 0.00 0.51 -1.21 -4.84 118.94 112.65 1s1h s TRP 84 Ca 0.20 -1.04 -0.26 0.00 -2.12 0.00 0.00 56.10 52.88 1s1h s TRP 84 Cb 0.00 -2.28 0.07 0.00 -0.81 0.00 0.00 33.47 30.45 1s1h s TRP 84 CO 0.06 -0.61 0.62 -0.59 -0.51 0.00 0.00 176.95 175.92 1s1h s PHE 85 N 1.49 -0.57 0.05 -1.98 -0.71 -0.55 -3.34 117.98 112.37 1s1h s PHE 85 Ca 0.02 0.67 0.02 0.00 -1.04 0.00 0.00 56.93 56.59 1s1h s PHE 85 Cb -0.18 0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 42.07 1s1h s PHE 85 CO 0.03 -0.72 -0.06 -1.17 -1.34 0.00 0.00 175.22 171.96 1s1h s LEU 86 N -2.00 2.31 0.14 -1.99 1.98 -1.26 -3.97 118.68 113.88 1s1h s LEU 86 Ca -0.05 -0.64 -0.17 0.00 -2.89 0.00 0.00 54.13 50.38 1s1h s LEU 86 Cb -0.01 -0.08 -0.01 0.00 0.66 0.00 0.00 46.19 46.75 1s1h s LEU 86 CO -0.02 -0.29 1.77 -1.13 -1.89 0.00 0.00 176.35 174.80 1s1h h ASN 87 N 4.20 0.41 -2.40 3.68 -1.24 -2.00 -3.44 115.58 114.80 1s1h h ASN 87 Ca -0.35 -0.05 -0.03 0.00 0.71 0.00 0.00 56.30 56.58 1s1h h ASN 87 Cb 1.19 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.13 1s1h h ASN 87 CO 0.46 0.34 -0.03 0.54 -1.29 0.00 0.00 177.43 177.45 1s1h n ARG 88 N -4.82 0.48 -2.50 6.67 1.74 -1.26 -5.10 116.66 111.88 1s1h n ARG 88 Ca -0.01 -0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.45 1s1h n ARG 88 Cb 0.05 0.13 -0.03 0.00 -1.02 0.00 0.00 32.46 31.59 1s1h n ARG 88 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1s1h s GLN 89 N -2.09 4.43 -0.54 5.56 -2.07 -1.26 -4.32 119.66 119.38 1s1h s GLN 89 Ca 0.02 1.65 -0.26 0.00 -1.82 0.00 0.00 55.36 54.95 1s1h s GLN 89 Cb 0.00 -3.45 0.03 0.00 -1.09 0.00 0.00 33.01 28.50 1s1h s GLN 89 CO 0.01 -0.28 1.03 0.54 -1.32 0.00 0.00 175.29 175.27 1s1h s ASN 90 N 1.19 6.43 0.23 12.60 4.22 -1.26 1.51 114.94 139.85 1s1h s ASN 90 Ca 0.56 -0.05 -0.07 0.00 -2.14 0.00 0.00 52.86 51.16 1s1h s ASN 90 Cb -0.26 -2.49 0.20 0.00 1.28 0.00 0.00 41.25 39.99 1s1h s ASN 90 CO 0.26 -1.28 1.78 0.44 -2.04 0.00 0.00 177.10 176.27 1s1h h ASP 91 N 9.33 1.05 -3.60 3.54 3.32 -0.37 -3.16 116.42 126.54 1s1h h ASP 91 Ca -0.25 -0.17 -0.65 0.00 0.02 0.00 0.00 57.03 55.98 1s1h h ASP 91 Cb 1.07 -0.27 -0.15 0.00 0.22 0.00 0.00 39.33 40.19 1s1h h ASP 91 CO 1.11 0.95 -0.03 -0.63 -1.72 0.00 0.00 179.24 178.92 1s1h s ILE 92 N -5.47 5.00 0.21 0.35 -1.09 -1.26 -4.64 121.20 114.30 1s1h s ILE 92 Ca -0.12 0.32 -0.07 0.00 -2.23 0.00 0.00 60.65 58.55 1s1h s ILE 92 Cb 0.16 -3.99 0.09 0.00 -1.58 0.00 0.00 42.46 37.14 1s1h s ILE 92 CO 0.83 -0.25 1.69 0.71 -1.23 0.00 0.00 174.94 176.69 1s1h h THR 93 N 5.64 1.26 -4.23 2.92 1.35 -1.88 -3.43 112.91 114.54 1s1h h THR 93 Ca -0.27 -1.08 -0.50 0.00 -0.55 0.00 0.00 66.41 64.01 1s1h h THR 93 Cb 1.12 0.75 0.14 0.00 -1.73 0.00 0.00 68.15 68.43 1s1h h THR 93 CO 0.79 0.39 0.29 -1.81 -0.25 0.00 0.00 175.52 174.93 1s1h s ASP 94 N -6.57 4.14 0.00 5.36 1.01 -1.26 -4.65 116.67 114.70 1s1h s ASP 94 Ca -0.11 1.69 0.00 0.00 0.71 0.00 0.00 52.55 54.84 1s1h s ASP 94 Cb 0.14 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.68 1s1h s ASP 94 CO 0.84 -2.25 0.00 0.61 0.21 0.00 0.00 175.17 174.59 1s1h n GLY 95 N -1.20 0.23 3.77 0.21 0.00 -1.26 -4.87 105.19 102.07 1s1h n GLY 95 Ca 0.08 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1s1h n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1h s LYS 96 N 0.00 4.21 -0.56 1.61 1.02 -1.26 -4.97 119.74 119.79 1s1h s LYS 96 Ca 0.00 2.38 -0.01 0.00 0.02 0.00 0.00 55.97 58.36 1s1h s LYS 96 Cb 0.00 -3.00 0.14 0.00 -0.52 0.00 0.00 37.83 34.46 1s1h s LYS 96 CO 0.00 -0.37 0.35 -0.51 -0.92 0.00 0.00 175.35 173.90 1s1h s ASP 97 N -0.35 5.01 0.02 2.83 1.11 -1.26 -4.82 116.67 119.22 1s1h s ASP 97 Ca 0.51 -2.74 0.01 0.00 0.18 0.00 0.00 52.55 50.51 1s1h s ASP 97 Cb -0.43 -1.79 -0.02 0.00 1.07 0.00 0.00 42.92 41.75 1s1h s ASP 97 CO 0.57 -0.36 -0.05 -0.31 1.18 0.00 0.00 175.17 176.20 1s1h s TYR 98 N 0.10 0.43 -0.13 4.23 1.51 -1.26 -5.03 117.35 117.20 1s1h s TYR 98 Ca 0.15 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.52 1s1h s TYR 98 Cb -0.22 -0.27 0.08 0.00 -0.11 0.00 0.00 41.96 41.44 1s1h s TYR 98 CO -0.03 -0.10 0.75 -1.01 -1.11 0.00 0.00 175.55 174.04 1s1h s HIS 99 N -1.11 -0.65 0.65 2.71 3.76 -1.25 -4.65 115.29 114.75 1s1h s HIS 99 Ca -0.10 1.27 -0.05 0.00 -0.15 0.00 0.00 55.06 56.03 1s1h s HIS 99 Cb -0.08 0.38 0.04 0.00 1.11 0.00 0.00 32.58 34.03 1s1h s HIS 99 CO -0.00 -0.50 0.95 -0.08 -0.85 0.00 0.00 174.74 174.26 1s1h s THR 100 N -0.71 2.67 0.03 1.30 -1.32 -1.21 -1.48 115.64 114.91 1s1h s THR 100 Ca -0.06 -0.27 0.06 0.00 -1.21 0.00 0.00 61.69 60.20 1s1h s THR 100 Cb -0.02 -3.11 -0.03 0.00 -1.51 0.00 0.00 72.50 67.83 1s1h s THR 100 CO 0.06 -0.11 -0.13 -0.76 -2.21 0.00 0.00 174.62 171.47 1s1h s LEU 101 N -5.11 2.86 0.00 9.08 1.43 -1.25 -4.60 118.68 121.09 1s1h s LEU 101 Ca 0.58 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1s1h s LEU 101 Cb -0.11 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1s1h s LEU 101 CO 0.44 0.26 0.00 0.00 0.23 0.00 0.00 176.35 177.28 1s1h n ALA 102 N 1.50 0.00 0.25 4.21 0.00 -1.26 -3.18 120.51 122.03 1s1h n ALA 102 Ca -0.16 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.38 1s1h n ALA 102 Cb 0.52 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.63 1s1h n ALA 102 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1s1h h ASN 103 N 0.00 0.00 -0.74 0.00 7.08 -1.97 0.71 115.58 120.66 1s1h h ASN 103 Ca 0.00 0.00 0.11 0.00 -3.08 0.00 0.00 56.30 53.33 1s1h h ASN 103 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 36.16 1s1h h ASN 103 CO 0.00 0.12 0.36 -1.13 -2.08 0.00 0.00 177.43 174.70 1s1h h ASN 104 N 0.00 0.45 0.39 6.14 -1.24 -1.97 -1.48 115.58 117.87 1s1h h ASN 104 Ca -0.00 0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 1s1h h ASN 104 Cb 0.25 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.30 1s1h h ASN 104 CO 0.02 0.24 -0.19 0.58 -1.29 0.00 0.00 177.43 176.79 1s1h h VAL 105 N 0.59 0.57 -0.56 2.57 2.07 0.48 0.76 116.25 122.72 1s1h h VAL 105 Ca 0.37 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1s1h h VAL 105 Cb 0.44 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1s1h h VAL 105 CO -0.30 0.08 0.30 -0.33 0.02 0.00 0.00 177.57 177.34 1s1h h GLU 106 N -0.81 0.78 0.00 1.57 5.08 -1.41 0.27 114.58 120.06 1s1h h GLU 106 Ca -0.05 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1s1h h GLU 106 Cb 0.53 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1s1h h GLU 106 CO 0.09 0.61 -0.30 0.77 -1.00 0.00 0.00 179.01 179.18 1s1h h SER 107 N 0.75 0.00 0.79 1.42 0.02 -1.30 -3.52 113.55 111.70 1s1h h SER 107 Ca 0.19 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1s1h h SER 107 Cb 0.06 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.61 1s1h h SER 107 CO -0.03 0.30 -0.38 0.50 -1.14 0.00 0.00 176.83 176.08 1s1h h LYS 108 N 0.00 -1.02 0.00 3.45 3.64 0.43 -3.50 116.57 119.57 1s1h h LYS 108 Ca -0.00 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1s1h h LYS 108 Cb 0.70 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1s1h h LYS 108 CO 0.04 -0.66 0.00 -0.11 -2.27 0.00 0.00 179.45 176.44 1s1h n LEU 109 N -5.50 0.00 -0.29 5.20 7.94 16.06 -5.04 117.00 135.37 1s1h n LEU 109 Ca -0.14 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.71 1s1h n LEU 109 Cb 0.43 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.44 1s1h n LEU 109 CO 0.35 0.00 1.12 -0.09 -1.11 0.00 0.00 177.39 177.66 1s1h h ARG 110 N 0.00 1.11 -0.39 1.96 2.43 -1.73 0.53 114.38 118.29 1s1h h ARG 110 Ca 0.00 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1s1h h ARG 110 Cb 0.00 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1s1h h ARG 110 CO 0.00 0.84 0.11 -0.44 -1.51 0.00 0.00 179.97 178.97 1s1h h ASP 111 N 1.10 0.52 -0.16 -3.80 3.32 -1.93 -2.43 116.42 113.03 1s1h h ASP 111 Ca 0.27 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.28 1s1h h ASP 111 Cb 0.06 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1s1h h ASP 111 CO -0.04 0.51 0.02 0.44 -1.72 0.00 0.00 179.24 178.44 1s1h h ASP 112 N 0.56 -0.02 -0.49 6.45 3.32 -1.29 0.12 116.42 125.07 1s1h h ASP 112 Ca 0.13 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1s1h h ASP 112 Cb 0.19 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1s1h h ASP 112 CO -0.01 0.01 0.31 -0.07 -1.72 0.00 0.00 179.24 177.77 1s1h h LEU 113 N 0.08 0.53 -0.83 1.55 4.07 -1.27 -1.09 115.31 118.35 1s1h h LEU 113 Ca 0.07 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 1s1h h LEU 113 Cb 0.08 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 1s1h h LEU 113 CO -0.11 0.38 0.25 -0.08 -1.08 0.00 0.00 178.44 177.80 1s1h h GLU 114 N 0.64 1.11 0.06 1.13 4.81 -1.17 -1.86 114.58 119.30 1s1h h GLU 114 Ca 0.19 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1s1h h GLU 114 Cb -0.04 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1s1h h GLU 114 CO -0.06 0.93 -0.03 0.00 -0.73 0.00 0.00 179.01 179.13 1s1h h ARG 115 N 1.07 -0.08 -0.35 1.92 3.08 0.43 0.15 114.38 120.60 1s1h h ARG 115 Ca 0.24 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 1s1h h ARG 115 Cb 0.27 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1s1h h ARG 115 CO -0.01 0.08 0.19 -0.07 -1.07 0.00 0.00 179.97 179.09 1s1h h LEU 116 N -0.23 0.42 -0.22 3.04 -0.00 -1.22 0.40 115.31 117.50 1s1h h LEU 116 Ca -0.01 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.79 1s1h h LEU 116 Cb 0.20 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1s1h h LEU 116 CO 0.01 0.35 -0.07 0.11 -0.00 0.00 0.00 178.44 178.84 1s1h h LYS 117 N 0.49 0.44 -0.63 1.13 1.57 -0.53 -3.21 116.57 115.83 1s1h h LYS 117 Ca 0.13 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1s1h h LYS 117 Cb 0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1s1h h LYS 117 CO -0.02 0.70 0.02 0.87 -0.57 0.00 0.00 179.45 180.45 1s1h h LYS 118 N 0.16 1.09 -7.16 3.15 1.57 0.55 -3.42 116.57 112.51 1s1h h LYS 118 Ca 0.05 -0.34 -0.49 0.00 -1.87 0.00 0.00 60.65 58.01 1s1h h LYS 118 Cb 0.55 -0.11 0.05 0.00 0.08 0.00 0.00 32.23 32.80 1s1h h LYS 118 CO 0.03 1.05 0.38 0.96 -0.57 0.00 0.00 179.45 181.30 1s1h s ILE 119 N -5.07 3.84 0.43 1.86 -4.36 0.00 -4.89 121.20 113.02 1s1h s ILE 119 Ca -0.12 0.94 0.37 0.00 -0.26 0.00 0.00 60.65 61.58 1s1h s ILE 119 Cb 0.14 -3.42 0.37 0.00 1.25 0.00 0.00 42.46 40.80 1s1h s ILE 119 CO 0.86 -0.45 2.13 0.03 0.24 0.00 0.00 174.94 177.75 1s1h h ARG 120 N 0.75 0.00 -5.01 0.37 -0.00 -1.82 -3.45 114.38 105.22 1s1h h ARG 120 Ca -0.48 0.00 -0.68 0.00 -0.50 0.00 0.00 59.98 58.33 1s1h h ARG 120 Cb 1.22 0.00 0.03 0.00 0.00 0.00 0.00 29.97 31.22 1s1h h ARG 120 CO 0.58 0.00 0.16 0.00 0.00 0.00 0.00 179.97 180.71 1s1h n ALA 121 N -1.97 -2.72 -0.25 0.04 0.00 -1.26 -4.70 120.51 109.65 1s1h n ALA 121 Ca -0.02 0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.88 1s1h n ALA 121 Cb 0.09 -1.50 0.17 0.00 0.00 0.00 0.00 19.45 18.21 1s1h n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s1h h HIS 122 N 2.86 1.06 -0.98 0.00 2.76 -1.87 0.89 115.15 119.86 1s1h h HIS 122 Ca -0.41 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 57.81 1s1h h HIS 122 Cb 1.18 -0.34 -0.07 0.00 1.55 0.00 0.00 27.41 29.73 1s1h h HIS 122 CO 0.49 0.74 0.62 -0.09 -1.30 0.00 0.00 177.93 178.39 1s1h h ARG 123 N 1.08 1.07 -0.48 5.26 2.43 -1.89 0.18 114.38 122.02 1s1h h ARG 123 Ca 0.27 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 1s1h h ARG 123 Cb 0.03 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1s1h h ARG 123 CO -0.04 0.71 -0.15 0.78 -1.51 0.00 0.00 179.97 179.75 1s1h h GLY 124 N 1.10 1.00 1.46 2.80 0.00 -0.95 -3.04 103.07 105.44 1s1h h GLY 124 Ca 0.44 -0.82 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1s1h h GLY 124 CO -0.20 0.75 -0.04 1.19 0.00 0.00 0.00 176.54 178.24 1s1h h ILE 125 N 0.82 1.23 -0.19 2.60 2.10 0.29 -0.09 117.51 124.27 1s1h h ILE 125 Ca 0.12 -0.99 -0.01 0.00 1.08 0.00 0.00 64.86 65.07 1s1h h ILE 125 Cb 0.69 0.98 -0.01 0.00 -1.09 0.00 0.00 36.82 37.39 1s1h h ILE 125 CO 0.05 0.34 0.08 0.03 -1.08 0.00 0.00 178.15 177.57 1s1h h ARG 126 N 0.62 0.26 0.02 2.19 2.47 -1.02 0.25 114.38 119.17 1s1h h ARG 126 Ca 0.12 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1s1h h ARG 126 Cb 0.45 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1s1h h ARG 126 CO 0.02 0.22 -0.01 0.45 0.56 0.00 0.00 179.97 181.21 1s1h h HIS 127 N 0.26 -0.02 -0.42 3.04 3.86 -0.99 0.41 115.15 121.30 1s1h h HIS 127 Ca 0.07 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1s1h h HIS 127 Cb 0.05 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1s1h h HIS 127 CO 0.00 0.17 0.18 0.74 0.86 0.00 0.00 177.93 179.88 1s1h h PHE 128 N -0.21 0.62 -0.19 2.45 -1.00 -0.97 -0.93 116.94 116.70 1s1h h PHE 128 Ca -0.00 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 1s1h h PHE 128 Cb 0.20 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 1s1h h PHE 128 CO -0.01 0.53 0.01 -1.49 -1.61 0.00 0.00 178.31 175.74 1s1h h TRP 129 N 0.53 0.27 0.00 -0.55 4.06 -0.48 -3.45 115.95 116.32 1s1h h TRP 129 Ca 0.14 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.08 1s1h h TRP 129 Cb 0.16 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1s1h h TRP 129 CO -0.00 0.28 0.00 0.41 -3.56 0.00 0.00 178.44 175.57 1s1h n GLY 130 N -1.18 0.62 3.97 1.49 0.00 0.13 -5.05 105.19 105.17 1s1h n GLY 130 Ca -0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 1s1h n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s1h s LEU 131 N 0.00 3.77 0.18 0.99 1.43 -0.32 -4.99 118.68 119.73 1s1h s LEU 131 Ca 0.00 -0.36 -0.32 0.00 -1.03 0.00 0.00 54.13 52.42 1s1h s LEU 131 Cb 0.00 -2.58 -0.11 0.00 0.03 0.00 0.00 46.19 43.53 1s1h s LEU 131 CO 0.00 -0.55 1.64 -0.13 0.23 0.00 0.00 176.35 177.55 1s1h s ARG 132 N -4.20 4.17 0.07 1.70 3.00 -1.26 -4.54 118.95 117.89 1s1h s ARG 132 Ca 0.48 2.47 -0.14 0.00 0.00 0.00 0.00 55.73 58.54 1s1h s ARG 132 Cb -0.09 -3.14 -0.24 0.00 0.00 0.00 0.00 34.95 31.48 1s1h s ARG 132 CO 0.31 -0.68 1.17 0.28 0.00 0.00 0.00 175.30 176.38 1s1h h VAL 133 N 3.96 1.28 0.00 3.52 2.07 -1.92 -3.36 116.25 121.81 1s1h h VAL 133 Ca -0.43 -2.28 -0.00 0.00 0.82 0.00 0.00 66.70 64.80 1s1h h VAL 133 Cb 1.20 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1s1h h VAL 133 CO 0.93 0.71 -0.02 0.03 0.02 0.00 0.00 177.57 179.24 1s1h h ARG 134 N 0.38 0.00 -0.14 1.57 3.08 -1.98 -3.45 114.38 113.84 1s1h h ARG 134 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1s1h h ARG 134 Cb 1.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.79 1s1h h ARG 134 CO 0.21 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.54 1s1h n GLY 135 N -0.87 1.27 3.97 0.04 0.00 -1.26 -5.08 105.19 103.26 1s1h n GLY 135 Ca -0.02 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 1s1h n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s1h s GLN 136 N -1.62 2.36 0.07 1.61 1.11 -1.26 -5.03 119.66 116.90 1s1h s GLN 136 Ca 0.00 -0.70 -0.31 0.00 0.01 0.00 0.00 55.36 54.36 1s1h s GLN 136 Cb 0.00 -2.40 -0.06 0.00 -1.01 0.00 0.00 33.01 29.54 1s1h s GLN 136 CO 0.00 -0.92 1.25 -1.01 0.01 0.00 0.00 175.29 174.62 1s1h s HIS 137 N -2.92 3.39 0.19 0.91 3.76 -1.26 -4.93 115.29 114.42 1s1h s HIS 137 Ca 0.59 1.21 0.08 0.00 -0.15 0.00 0.00 55.06 56.80 1s1h s HIS 137 Cb -0.10 -3.49 0.03 0.00 1.11 0.00 0.00 32.58 30.14 1s1h s HIS 137 CO 0.40 -1.55 1.42 1.79 -0.85 0.00 0.00 174.74 175.95 1s1h h THR 138 N 4.45 1.60 -0.65 1.30 1.35 -1.95 -3.32 112.91 115.68 1s1h h THR 138 Ca -0.42 -2.86 -0.03 0.00 -0.55 0.00 0.00 66.41 62.55 1s1h h THR 138 Cb 1.21 2.54 -0.03 0.00 -1.73 0.00 0.00 68.15 70.15 1s1h h THR 138 CO 0.82 0.82 0.27 0.50 -0.25 0.00 0.00 175.52 177.68 1s1h h LYS 139 N 0.00 0.96 -4.87 4.72 1.63 -2.04 -3.43 116.57 113.53 1s1h h LYS 139 Ca -0.01 -0.17 -0.35 0.00 -0.85 0.00 0.00 60.65 59.27 1s1h h LYS 139 Cb 1.48 -0.16 -0.14 0.00 -0.60 0.00 0.00 32.23 32.80 1s1h h LYS 139 CO 0.11 0.80 -0.61 0.95 -3.45 0.00 0.00 179.45 177.25 1s1h s THR 140 N -5.58 0.51 -1.40 1.00 -4.23 -1.25 -4.84 115.64 99.85 1s1h s THR 140 Ca -0.13 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.31 1s1h s THR 140 Cb 0.14 -2.62 0.01 0.00 1.34 0.00 0.00 72.50 71.36 1s1h s THR 140 CO 0.80 0.00 0.90 0.41 -0.54 0.00 0.00 174.62 176.19 1s1h n THR 141 N -0.47 -2.47 0.09 3.99 -1.04 -1.26 -4.63 114.28 108.49 1s1h n THR 141 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 1s1h n THR 141 Cb 0.66 -3.69 0.01 0.00 -1.82 0.00 0.00 70.33 65.49 1s1h n THR 141 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1s1h h GLY 142 N -2.06 0.14 0.73 3.41 0.00 -1.84 -3.37 103.07 100.10 1s1h h GLY 142 Ca -0.53 -0.25 0.10 0.00 0.00 0.00 0.00 47.33 46.64 1s1h h GLY 142 CO 0.55 0.22 0.57 -0.09 0.00 0.00 0.00 176.54 177.79 1s1h h ARG 143 N 0.07 0.83 -0.47 4.80 1.12 -1.98 -1.02 114.38 117.73 1s1h h ARG 143 Ca -0.03 -0.05 0.03 0.00 -1.11 0.00 0.00 59.98 58.81 1s1h h ARG 143 Cb 1.47 -0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 31.20 1s1h h ARG 143 CO 0.12 0.55 0.27 -0.09 -3.11 0.00 0.00 179.97 177.72 1s1h h ARG 144 N 0.86 0.53 0.00 0.20 2.43 -1.99 -3.55 114.38 112.86 1s1h h ARG 144 Ca 0.41 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1s1h h ARG 144 Cb 0.42 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1s1h h ARG 144 CO -0.17 0.35 0.00 -2.13 -1.51 0.00 0.00 179.97 176.51