#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yr0 s VAL 5 N 0.00 4.63 -0.06 -3.33 1.01 -1.26 -4.69 120.40 116.70 1yr0 s VAL 5 Ca 0.00 1.84 0.04 0.00 0.00 0.00 0.00 61.98 63.86 1yr0 s VAL 5 Cb 0.00 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 1yr0 s VAL 5 CO 0.00 0.34 -0.19 -1.61 0.00 0.00 0.00 175.10 173.64 1yr0 s GLU 6 N -0.02 2.16 -0.06 2.72 0.41 -0.63 -4.96 118.70 118.32 1yr0 s GLU 6 Ca 0.42 -0.68 -0.01 0.00 -0.41 0.00 0.00 54.97 54.30 1yr0 s GLU 6 Cb -0.22 -1.78 -0.03 0.00 -1.78 0.00 0.00 34.13 30.32 1yr0 s GLU 6 CO 0.26 0.21 0.00 -0.51 -0.49 0.00 0.00 175.26 174.74 1yr0 s LEU 7 N 0.19 3.57 0.19 1.80 1.02 -1.26 0.47 118.68 124.66 1yr0 s LEU 7 Ca -0.09 0.11 -0.23 0.00 0.02 0.00 0.00 54.13 53.94 1yr0 s LEU 7 Cb -0.14 -1.88 0.05 0.00 0.02 0.00 0.00 46.19 44.24 1yr0 s LEU 7 CO 0.04 0.35 0.71 0.00 0.02 0.00 0.00 176.35 177.48 1yr0 s ARG 8 N -1.07 1.44 0.41 1.70 1.70 -0.94 -5.01 118.95 117.18 1yr0 s ARG 8 Ca 0.15 -0.69 -0.26 0.00 -0.47 0.00 0.00 55.73 54.46 1yr0 s ARG 8 Cb -0.11 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.74 1yr0 s ARG 8 CO 0.05 -0.65 1.36 -0.51 -1.08 0.00 0.00 175.30 174.47 1yr0 s ASP 9 N -2.81 6.23 0.36 -2.89 1.01 -1.26 -1.53 116.67 115.78 1yr0 s ASP 9 Ca 0.07 2.77 -0.25 0.00 0.71 0.00 0.00 52.55 55.85 1yr0 s ASP 9 Cb -0.03 -2.65 -0.10 0.00 1.01 0.00 0.00 42.92 41.16 1yr0 s ASP 9 CO -0.03 -0.92 0.99 0.00 0.21 0.00 0.00 175.17 175.42 1yr0 s ALA 10 N -1.22 3.15 0.43 5.23 0.00 0.79 -4.76 121.76 125.38 1yr0 s ALA 10 Ca 0.57 0.58 0.06 0.00 0.00 0.00 0.00 51.96 53.17 1yr0 s ALA 10 Cb -0.41 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 1yr0 s ALA 10 CO 0.53 0.03 0.08 0.95 0.00 0.00 0.00 175.76 177.35 1yr0 s THR 11 N -1.70 1.99 0.65 0.00 -4.23 -1.26 -4.96 115.64 106.13 1yr0 s THR 11 Ca 0.54 -1.88 0.37 0.00 -1.18 0.00 0.00 61.69 59.54 1yr0 s THR 11 Cb -0.19 -2.87 0.39 0.00 1.34 0.00 0.00 72.50 71.17 1yr0 s THR 11 CO 0.24 0.00 2.20 -0.37 -0.54 0.00 0.00 174.62 176.15 1yr0 h VAL 12 N 1.57 0.11 0.00 2.29 -1.51 -2.00 -0.92 116.25 115.79 1yr0 h VAL 12 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1yr0 h VAL 12 Cb 1.26 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1yr0 h VAL 12 CO 0.76 0.00 0.00 0.44 -1.23 0.00 0.00 177.57 177.54 1yr0 h ASP 13 N 0.00 0.00 0.29 4.19 3.45 -2.02 -2.93 116.42 119.40 1yr0 h ASP 13 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1yr0 h ASP 13 Cb 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1yr0 h ASP 13 CO -0.00 0.00 -0.32 0.47 -1.57 0.00 0.00 179.24 177.82 1yr0 n ASP 14 N -2.66 0.92 -0.37 6.45 8.00 -0.35 -4.41 116.55 124.14 1yr0 n ASP 14 Ca 0.03 -0.75 0.05 0.00 0.71 0.00 0.00 54.79 54.82 1yr0 n ASP 14 Cb 0.38 0.18 0.20 0.00 -0.02 0.00 0.00 41.12 41.86 1yr0 n ASP 14 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1yr0 h LEU 15 N 0.94 0.99 -1.14 0.64 3.38 -1.60 -0.45 115.31 118.06 1yr0 h LEU 15 Ca 0.00 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1yr0 h LEU 15 Cb 0.51 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1yr0 h LEU 15 CO 0.00 0.58 -0.41 0.77 0.09 0.00 0.00 178.44 179.47 1yr0 h SER 16 N 1.09 0.00 -0.15 -0.43 4.64 -1.82 -2.71 113.55 114.17 1yr0 h SER 16 Ca 0.46 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.64 1yr0 h SER 16 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1yr0 h SER 16 CO -0.22 0.41 -0.46 1.23 -0.87 0.00 0.00 176.83 176.92 1yr0 h GLY 17 N 1.44 0.63 -1.76 -0.77 0.00 -1.53 -2.67 103.07 98.41 1yr0 h GLY 17 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1yr0 h GLY 17 CO 0.05 0.73 0.00 1.39 0.00 0.00 0.00 176.54 178.72 1yr0 n ILE 18 N -4.23 0.11 0.00 2.60 5.41 -0.29 -2.85 119.36 120.11 1yr0 n ILE 18 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1yr0 n ILE 18 Cb 0.57 -0.45 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1yr0 n ILE 18 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1yr0 n GLU 20 N 0.81 0.00 -0.04 0.38 0.28 -1.01 -0.89 120.64 120.17 1yr0 n GLU 20 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1yr0 n GLU 20 Cb 0.06 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.86 1yr0 n GLU 20 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1yr0 h ILE 21 N 0.00 1.32 -0.19 3.84 2.04 -1.82 -1.46 117.51 121.23 1yr0 h ILE 21 Ca 0.00 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 64.80 1yr0 h ILE 21 Cb 0.00 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1yr0 h ILE 21 CO 0.00 0.31 0.09 0.22 0.00 0.00 0.00 178.15 178.77 1yr0 h TYR 22 N -0.12 0.16 -0.43 1.37 3.20 -1.30 -2.35 116.97 117.51 1yr0 h TYR 22 Ca 0.02 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1yr0 h TYR 22 Cb 0.51 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1yr0 h TYR 22 CO 0.07 0.09 0.06 -0.91 -1.64 0.00 0.00 178.16 175.83 1yr0 h ASN 23 N 0.19 0.61 -0.35 -2.11 2.35 -1.80 -1.80 115.58 112.67 1yr0 h ASN 23 Ca 0.08 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1yr0 h ASN 23 Cb 0.02 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1yr0 h ASN 23 CO -0.06 0.64 0.18 -0.78 -1.65 0.00 0.00 177.43 175.77 1yr0 h ASP 24 N 0.63 0.44 -0.43 5.81 3.58 -0.88 -1.77 116.42 123.81 1yr0 h ASP 24 Ca 0.14 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 1yr0 h ASP 24 Cb 0.30 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1yr0 h ASP 24 CO 0.00 0.42 0.13 0.00 -2.88 0.00 0.00 179.24 176.91 1yr0 h ALA 25 N 1.05 1.32 -0.68 -0.78 0.00 -1.13 0.39 119.26 119.42 1yr0 h ALA 25 Ca 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1yr0 h ALA 25 Cb 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1yr0 h ALA 25 CO -0.02 0.49 0.24 0.28 0.00 0.00 0.00 179.25 180.24 1yr0 h VAL 26 N 0.71 1.25 0.20 0.00 2.07 -0.95 -1.03 116.25 118.51 1yr0 h VAL 26 Ca 0.16 -0.82 -0.31 0.00 0.82 0.00 0.00 66.70 66.55 1yr0 h VAL 26 Cb 0.24 0.50 0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1yr0 h VAL 26 CO -0.01 0.32 -1.45 0.58 0.02 0.00 0.00 177.57 177.03 1yr0 h VAL 27 N 0.99 1.19 0.00 2.57 2.07 -0.93 -3.41 116.25 118.72 1yr0 h VAL 27 Ca 0.22 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 65.16 1yr0 h VAL 27 Cb 0.26 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1yr0 h VAL 27 CO -0.01 0.80 -0.76 -3.20 0.02 0.00 0.00 177.57 174.42 1yr0 n ASN 28 N -3.77 0.80 -4.56 0.57 4.05 0.09 -5.06 115.26 107.38 1yr0 n ASN 28 Ca -0.20 -0.70 -0.31 0.00 0.45 0.00 0.00 54.58 53.83 1yr0 n ASN 28 Cb 1.03 1.09 -0.08 0.00 1.23 0.00 0.00 39.78 43.05 1yr0 n ASN 28 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1yr0 s THR 29 N -2.34 0.96 -0.48 -0.44 -4.23 -0.39 -5.02 115.64 103.70 1yr0 s THR 29 Ca 0.04 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.70 1yr0 s THR 29 Cb 0.10 -2.18 0.58 0.00 1.34 0.00 0.00 72.50 72.33 1yr0 s THR 29 CO 0.54 0.00 1.49 0.35 -0.54 0.00 0.00 174.62 176.46 1yr0 n THR 30 N -1.17 2.09 0.20 3.99 -2.24 -1.26 -4.47 114.28 111.41 1yr0 n THR 30 Ca -0.16 -1.53 0.06 0.00 -2.27 0.00 0.00 64.05 60.15 1yr0 n THR 30 Cb 0.66 -0.07 0.41 0.00 -2.10 0.00 0.00 70.33 69.23 1yr0 n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yr0 h ALA 31 N 2.63 1.10 -3.29 6.98 0.00 -1.96 -3.42 119.26 121.30 1yr0 h ALA 31 Ca 0.00 -0.30 -0.56 0.00 0.00 0.00 0.00 54.91 54.06 1yr0 h ALA 31 Cb 1.43 -0.05 -0.35 0.00 0.00 0.00 0.00 17.79 18.82 1yr0 h ALA 31 CO 0.24 0.41 -0.82 0.42 0.00 0.00 0.00 179.25 179.49 1yr0 s ILE 32 N -3.80 1.31 -1.22 0.00 1.01 -1.26 -5.01 121.20 112.23 1yr0 s ILE 32 Ca -0.01 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 1yr0 s ILE 32 Cb 0.12 -1.22 0.21 0.00 0.01 0.00 0.00 42.46 41.57 1yr0 s ILE 32 CO 0.67 0.40 1.85 0.79 0.00 0.00 0.00 174.94 178.65 1yr0 n TRP 33 N 4.25 2.68 -3.92 3.97 7.02 -1.26 -4.85 117.44 125.34 1yr0 n TRP 33 Ca -0.19 -2.72 0.01 0.00 -1.02 0.00 0.00 57.50 53.58 1yr0 n TRP 33 Cb 0.51 -1.71 0.01 0.00 -2.42 0.00 0.00 31.31 27.70 1yr0 n TRP 33 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1yr0 s ASN 34 N -0.03 -0.00 -0.02 -0.99 2.20 -1.26 -5.04 114.94 109.79 1yr0 s ASN 34 Ca 0.39 -0.33 0.03 0.00 -0.94 0.00 0.00 52.86 52.02 1yr0 s ASN 34 Cb 0.10 0.25 0.05 0.00 -2.00 0.00 0.00 41.25 39.65 1yr0 s ASN 34 CO 0.01 -0.49 0.89 -0.62 -2.94 0.00 0.00 177.10 173.95 1yr0 n GLU 35 N -0.80 1.66 -2.89 3.55 1.02 -1.26 -4.87 120.64 117.06 1yr0 n GLU 35 Ca 0.00 -1.37 -0.42 0.00 -0.02 0.00 0.00 57.16 55.35 1yr0 n GLU 35 Cb 0.59 -0.91 -0.04 0.00 -0.02 0.00 0.00 31.44 31.06 1yr0 n GLU 35 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1yr0 s VAL 36 N -0.96 4.78 0.58 2.62 -7.23 -1.26 -4.95 120.40 113.98 1yr0 s VAL 36 Ca 0.05 1.40 -0.14 0.00 -1.81 0.00 0.00 61.98 61.48 1yr0 s VAL 36 Cb 0.05 -4.16 -0.05 0.00 0.56 0.00 0.00 36.38 32.78 1yr0 s VAL 36 CO 0.00 -0.20 1.02 0.68 -0.31 0.00 0.00 175.10 176.29 1yr0 s VAL 37 N 2.98 4.44 0.13 1.32 -7.23 -1.26 -5.03 120.40 115.74 1yr0 s VAL 37 Ca 0.35 0.99 0.11 0.00 -1.81 0.00 0.00 61.98 61.62 1yr0 s VAL 37 Cb -0.14 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 1yr0 s VAL 37 CO 0.11 -0.84 -0.27 0.68 -0.31 0.00 0.00 175.10 174.47 1yr0 s VAL 38 N -2.84 2.27 0.56 1.32 -7.23 -1.26 -5.12 120.40 108.10 1yr0 s VAL 38 Ca 0.58 -1.75 0.06 0.00 -1.81 0.00 0.00 61.98 59.06 1yr0 s VAL 38 Cb -0.12 -2.00 0.06 0.00 0.56 0.00 0.00 36.38 34.88 1yr0 s VAL 38 CO 0.42 0.09 0.51 1.51 -0.31 0.00 0.00 175.10 177.33 1yr0 s ASP 39 N -2.05 4.73 0.25 4.85 1.47 -1.26 -4.93 116.67 119.72 1yr0 s ASP 39 Ca 0.14 -1.17 -0.04 0.00 1.18 0.00 0.00 52.55 52.66 1yr0 s ASP 39 Cb -0.10 0.45 0.46 0.00 -0.34 0.00 0.00 42.92 43.39 1yr0 s ASP 39 CO 0.06 -1.20 1.75 0.25 0.68 0.00 0.00 175.17 176.71 1yr0 h LEU 40 N 0.57 0.38 -0.58 2.11 5.85 -1.99 -1.37 115.31 120.29 1yr0 h LEU 40 Ca -0.35 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1yr0 h LEU 40 Cb 1.30 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 1yr0 h LEU 40 CO 0.53 0.16 0.35 -0.08 -0.34 0.00 0.00 178.44 179.06 1yr0 h GLU 41 N 0.52 0.79 -0.65 1.25 4.57 -1.98 0.47 114.58 119.56 1yr0 h GLU 41 Ca 0.42 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.55 1yr0 h GLU 41 Cb 0.59 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 1yr0 h GLU 41 CO -0.37 0.57 0.40 -0.97 -1.18 0.00 0.00 179.01 177.46 1yr0 h ASN 42 N 0.79 0.66 0.22 1.04 -0.73 -1.66 -1.84 115.58 114.05 1yr0 h ASN 42 Ca 0.21 -0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.23 1yr0 h ASN 42 Cb -0.02 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 1yr0 h ASN 42 CO -0.04 0.46 -0.58 0.03 -0.37 0.00 0.00 177.43 176.93 1yr0 h ARG 43 N 0.79 0.37 -0.57 6.67 2.47 -0.73 -1.64 114.38 121.75 1yr0 h ARG 43 Ca 0.26 -0.24 0.02 0.00 -1.26 0.00 0.00 59.98 58.76 1yr0 h ARG 43 Cb 0.01 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 1yr0 h ARG 43 CO -0.10 0.84 0.35 0.87 0.56 0.00 0.00 179.97 182.50 1yr0 h LYS 44 N 0.28 0.68 0.04 0.04 1.57 0.59 0.13 116.57 119.89 1yr0 h LYS 44 Ca -0.00 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.46 1yr0 h LYS 44 Cb 1.09 -0.15 0.02 0.00 0.08 0.00 0.00 32.23 33.27 1yr0 h LYS 44 CO 0.10 0.45 -1.11 -0.44 -0.57 0.00 0.00 179.45 177.88 1yr0 h ASP 45 N 0.70 0.89 -0.12 0.86 3.32 -1.34 -2.49 116.42 118.24 1yr0 h ASP 45 Ca 0.22 -0.75 0.05 0.00 0.02 0.00 0.00 57.03 56.57 1yr0 h ASP 45 Cb -0.01 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.21 1yr0 h ASP 45 CO -0.08 1.55 -0.24 -0.25 -1.72 0.00 0.00 179.24 178.50 1yr0 h TRP 46 N 0.36 -0.64 -0.11 4.55 7.01 -1.04 0.40 115.95 126.47 1yr0 h TRP 46 Ca -0.15 0.03 0.03 0.00 2.11 0.00 0.00 58.89 60.91 1yr0 h TRP 46 Cb 1.76 0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 29.10 1yr0 h TRP 46 CO 0.11 -0.32 -0.07 0.35 -2.79 0.00 0.00 178.44 175.71 1yr0 h PHE 47 N -0.31 -0.17 -0.35 2.65 3.57 -0.79 -2.07 116.94 119.47 1yr0 h PHE 47 Ca 0.10 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1yr0 h PHE 47 Cb 0.46 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 1yr0 h PHE 47 CO -0.34 -0.11 -0.04 0.00 -2.23 0.00 0.00 178.31 175.58 1yr0 h ALA 48 N 1.02 0.28 0.41 2.41 0.00 -0.96 -1.63 119.26 120.79 1yr0 h ALA 48 Ca 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1yr0 h ALA 48 Cb 0.17 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1yr0 h ALA 48 CO -0.16 -0.43 -0.31 0.00 0.00 0.00 0.00 179.25 178.35 1yr0 h ALA 49 N 1.33 -0.72 -0.72 0.00 0.00 -0.67 -1.13 119.26 117.35 1yr0 h ALA 49 Ca 0.17 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1yr0 h ALA 49 Cb 0.25 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1yr0 h ALA 49 CO -0.33 -0.93 0.32 0.00 0.00 0.00 0.00 179.25 178.31 1yr0 h ARG 50 N -0.71 0.50 -0.92 0.00 3.08 -1.18 -0.28 114.38 114.86 1yr0 h ARG 50 Ca -0.04 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1yr0 h ARG 50 Cb 0.61 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 1yr0 h ARG 50 CO 0.00 0.33 0.56 1.15 -1.07 0.00 0.00 179.97 180.94 1yr0 h THR 51 N 0.51 1.25 -0.07 2.04 2.02 -1.05 0.24 112.91 117.86 1yr0 h THR 51 Ca 0.38 -0.53 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 1yr0 h THR 51 Cb 0.49 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1yr0 h THR 51 CO -0.33 0.26 -0.38 0.28 0.37 0.00 0.00 175.52 175.71 1yr0 h SER 52 N 1.26 0.16 0.41 4.18 0.02 0.19 -1.95 113.55 117.81 1yr0 h SER 52 Ca 0.33 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1yr0 h SER 52 Cb -0.07 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1yr0 h SER 52 CO -0.06 0.53 -0.06 0.54 -1.14 0.00 0.00 176.83 176.64 1yr0 n ARG 53 N -4.06 0.62 -0.99 3.45 5.12 -0.38 -4.88 116.66 115.54 1yr0 n ARG 53 Ca -0.01 -0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 1yr0 n ARG 53 Cb 0.44 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 1yr0 n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yr0 n GLY 54 N 1.26 0.48 3.77 -0.13 0.00 -0.73 -5.02 105.19 104.82 1yr0 n GLY 54 Ca 0.15 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1yr0 n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yr0 s PHE 55 N -2.00 3.87 0.42 1.61 0.08 0.79 -4.98 117.98 117.76 1yr0 s PHE 55 Ca 0.00 1.74 -0.20 0.00 0.12 0.00 0.00 56.93 58.59 1yr0 s PHE 55 Cb 0.00 -2.86 -0.11 0.00 -0.57 0.00 0.00 43.02 39.49 1yr0 s PHE 55 CO 0.00 0.42 0.92 -1.25 -0.10 0.00 0.00 175.22 175.21 1yr0 s PRO 56 N -1.41 4.18 -0.35 0.24 0.04 -1.26 -3.98 135.00 132.47 1yr0 s PRO 56 Ca 0.41 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.49 1yr0 s PRO 56 Cb -0.23 -2.22 0.13 0.00 0.04 0.00 0.00 34.50 32.22 1yr0 s PRO 56 CO 0.27 -0.01 0.19 0.08 0.04 0.00 0.00 177.00 177.57 1yr0 s VAL 57 N -2.17 0.36 -0.09 -0.36 1.01 -1.26 -3.91 120.40 113.98 1yr0 s VAL 57 Ca 0.61 -1.63 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 1yr0 s VAL 57 Cb -0.09 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1yr0 s VAL 57 CO 0.14 -0.90 0.14 -0.63 0.00 0.00 0.00 175.10 173.85 1yr0 s ILE 58 N 1.20 5.36 0.11 2.22 1.01 -0.48 -0.15 121.20 130.47 1yr0 s ILE 58 Ca 0.16 0.06 0.09 0.00 0.00 0.00 0.00 60.65 60.96 1yr0 s ILE 58 Cb -0.21 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1yr0 s ILE 58 CO -0.08 0.54 -0.24 0.68 0.00 0.00 0.00 174.94 175.84 1yr0 s VAL 59 N -1.09 1.98 -0.25 2.92 -7.23 -0.58 -0.11 120.40 116.04 1yr0 s VAL 59 Ca 0.18 -1.61 -0.08 0.00 -1.81 0.00 0.00 61.98 58.66 1yr0 s VAL 59 Cb -0.12 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 1yr0 s VAL 59 CO 0.08 0.05 0.08 0.00 -0.31 0.00 0.00 175.10 174.99 1yr0 s ALA 60 N -1.07 3.20 -0.23 1.32 0.00 0.21 -2.21 121.76 122.97 1yr0 s ALA 60 Ca 0.10 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 1yr0 s ALA 60 Cb -0.10 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 1yr0 s ALA 60 CO 0.05 -0.46 0.15 0.42 0.00 0.00 0.00 175.76 175.91 1yr0 s ILE 61 N 1.57 5.32 -0.09 0.00 -1.09 0.18 -0.26 121.20 126.82 1yr0 s ILE 61 Ca 0.06 0.16 -0.01 0.00 -2.23 0.00 0.00 60.65 58.63 1yr0 s ILE 61 Cb -0.15 -3.47 0.03 0.00 -1.58 0.00 0.00 42.46 37.29 1yr0 s ILE 61 CO 0.04 0.36 -0.01 -0.22 -1.23 0.00 0.00 174.94 173.88 1yr0 s LEU 62 N 0.94 0.78 -1.35 2.97 0.20 0.11 -1.61 118.68 120.72 1yr0 s LEU 62 Ca 0.07 -0.20 -0.07 0.00 0.69 0.00 0.00 54.13 54.62 1yr0 s LEU 62 Cb -0.13 -0.55 0.02 0.00 -0.43 0.00 0.00 46.19 45.10 1yr0 s LEU 62 CO 0.03 -0.19 1.09 0.47 -0.29 0.00 0.00 176.35 177.46 1yr0 n ASP 63 N 5.09 -4.93 -0.42 3.68 9.92 -1.26 -2.13 116.55 126.50 1yr0 n ASP 63 Ca -0.08 -0.61 -0.06 0.00 -0.53 0.00 0.00 54.79 53.51 1yr0 n ASP 63 Cb 0.50 -4.81 -0.02 0.00 -0.64 0.00 0.00 41.12 36.14 1yr0 n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1yr0 n GLY 64 N -1.76 0.74 3.22 0.44 0.00 -1.26 -5.00 105.19 101.57 1yr0 n GLY 64 Ca -0.07 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 1yr0 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yr0 s LYS 65 N -1.99 1.01 -0.46 1.61 1.02 -0.91 -5.11 119.74 114.90 1yr0 s LYS 65 Ca 0.00 -1.45 -0.29 0.00 0.02 0.00 0.00 55.97 54.25 1yr0 s LYS 65 Cb 0.00 -0.28 0.03 0.00 -0.52 0.00 0.00 37.83 37.06 1yr0 s LYS 65 CO 0.00 -0.07 1.13 0.08 -0.92 0.00 0.00 175.35 175.57 1yr0 s VAL 66 N -3.61 4.24 -2.63 3.17 1.01 -1.26 -0.71 120.40 120.60 1yr0 s VAL 66 Ca 0.19 1.27 0.24 0.00 0.00 0.00 0.00 61.98 63.67 1yr0 s VAL 66 Cb 0.05 -4.59 0.37 0.00 0.00 0.00 0.00 36.38 32.21 1yr0 s VAL 66 CO 0.00 -0.96 1.42 0.00 0.00 0.00 0.00 175.10 175.57 1yr0 n ALA 67 N 7.75 2.47 0.00 5.51 0.00 0.65 -4.82 120.51 132.06 1yr0 n ALA 67 Ca 0.12 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1yr0 n ALA 67 Cb 0.49 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1yr0 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yr0 n GLY 68 N 1.35 2.64 3.30 0.00 0.00 -1.19 -1.00 105.19 110.29 1yr0 n GLY 68 Ca 0.17 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 1yr0 n GLY 68 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1yr0 s TYR 69 N -2.00 0.03 0.08 1.61 -0.85 -0.02 0.66 117.35 116.87 1yr0 s TYR 69 Ca 0.00 -0.40 -0.09 0.00 -0.52 0.00 0.00 57.07 56.06 1yr0 s TYR 69 Cb 0.00 0.10 -0.00 0.00 0.38 0.00 0.00 41.96 42.44 1yr0 s TYR 69 CO 0.00 -0.67 0.19 0.00 -1.52 0.00 0.00 175.55 173.55 1yr0 s ALA 70 N -3.86 -0.24 0.07 9.51 0.00 0.85 -0.35 121.76 127.74 1yr0 s ALA 70 Ca 0.07 -0.58 -0.26 0.00 0.00 0.00 0.00 51.96 51.18 1yr0 s ALA 70 Cb 0.03 0.47 0.09 0.00 0.00 0.00 0.00 23.12 23.71 1yr0 s ALA 70 CO -0.09 -0.49 1.16 0.45 0.00 0.00 0.00 175.76 176.79 1yr0 s SER 71 N -2.78 -0.03 0.10 0.00 0.15 0.01 -1.38 113.70 109.77 1yr0 s SER 71 Ca 0.04 -0.38 -0.18 0.00 0.70 0.00 0.00 55.95 56.14 1yr0 s SER 71 Cb 0.04 0.31 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1yr0 s SER 71 CO -0.10 -0.61 0.43 -0.72 1.20 0.00 0.00 173.24 173.44 1yr0 s TYR 72 N -2.31 -0.26 0.00 3.44 1.13 -1.25 0.53 117.35 118.63 1yr0 s TYR 72 Ca 0.21 0.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.92 1yr0 s TYR 72 Cb -0.00 0.28 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 1yr0 s TYR 72 CO 0.01 -0.68 0.00 0.41 -2.51 0.00 0.00 175.55 172.78 1yr0 n GLY 73 N -0.03 3.71 3.75 5.49 0.00 -0.49 -4.61 105.19 113.01 1yr0 n GLY 73 Ca -0.17 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 1yr0 n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yr0 s ASP 74 N 1.70 5.32 -0.21 1.61 1.01 -1.26 -0.93 116.67 123.91 1yr0 s ASP 74 Ca 0.00 2.50 -0.09 0.00 0.71 0.00 0.00 52.55 55.68 1yr0 s ASP 74 Cb 0.00 -2.61 -0.19 0.00 1.01 0.00 0.00 42.92 41.12 1yr0 s ASP 74 CO 0.00 -1.51 0.02 1.87 0.21 0.00 0.00 175.17 175.76 1yr0 n TRP 75 N -1.27 0.61 -4.04 4.23 -0.00 -1.25 -4.29 117.44 111.43 1yr0 n TRP 75 Ca 0.12 0.17 -0.11 0.00 -0.00 0.00 0.00 57.50 57.68 1yr0 n TRP 75 Cb 0.48 -1.07 -0.11 0.00 -0.00 0.00 0.00 31.31 30.60 1yr0 n TRP 75 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 1yr0 s ARG 76 N -2.50 0.47 0.27 5.87 0.52 -1.26 -4.98 118.95 117.33 1yr0 s ARG 76 Ca -0.31 -0.75 0.23 0.00 -0.52 0.00 0.00 55.73 54.39 1yr0 s ARG 76 Cb 0.09 -0.11 1.01 0.00 0.52 0.00 0.00 34.95 36.46 1yr0 s ARG 76 CO 0.63 0.00 1.71 0.00 0.02 0.00 0.00 175.30 177.66 1yr0 n ALA 77 N 1.38 1.57 -2.17 2.13 0.00 -1.26 -4.81 120.51 117.35 1yr0 n ALA 77 Ca -0.22 0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1yr0 n ALA 77 Cb 0.55 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1yr0 n ALA 77 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1yr0 s PHE 78 N -3.35 3.56 -0.17 0.00 0.40 -1.26 -4.90 117.98 112.26 1yr0 s PHE 78 Ca 0.03 1.54 0.22 0.00 -0.60 0.00 0.00 56.93 58.12 1yr0 s PHE 78 Cb 0.09 -3.30 1.18 0.00 0.51 0.00 0.00 43.02 41.50 1yr0 s PHE 78 CO 0.37 -0.72 1.66 -0.40 0.70 0.00 0.00 175.22 176.83 1yr0 n ASP 79 N 2.76 0.56 0.25 1.36 5.68 -1.26 -0.75 116.55 125.14 1yr0 n ASP 79 Ca 0.04 0.76 0.12 0.00 -0.50 0.00 0.00 54.79 55.22 1yr0 n ASP 79 Cb 0.46 -0.83 0.59 0.00 -1.14 0.00 0.00 41.12 40.21 1yr0 n ASP 79 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1yr0 h GLY 80 N 0.00 0.00 -2.36 6.12 0.00 -1.95 -2.03 103.07 102.85 1yr0 h GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yr0 h GLY 80 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1yr0 n TYR 81 N -3.37 1.12 -0.34 5.60 4.02 0.07 -4.59 117.16 119.67 1yr0 n TYR 81 Ca -0.00 -0.41 0.21 0.00 -0.01 0.00 0.00 57.90 57.68 1yr0 n TYR 81 Cb 0.35 -0.27 0.40 0.00 -0.02 0.00 0.00 39.34 39.81 1yr0 n TYR 81 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1yr0 h ARG 82 N 2.54 0.00 -0.43 -0.72 2.43 -1.50 0.15 114.38 116.85 1yr0 h ARG 82 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1yr0 h ARG 82 Cb 1.22 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1yr0 h ARG 82 CO 0.23 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.41 1yr0 n HIS 83 N -5.41 0.57 -4.93 2.20 8.25 -1.26 -4.85 115.22 109.79 1yr0 n HIS 83 Ca 0.29 -0.29 -0.33 0.00 -0.26 0.00 0.00 57.72 57.14 1yr0 n HIS 83 Cb 0.96 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.92 1yr0 n HIS 83 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1yr0 s THR 84 N -1.43 2.78 0.06 1.59 2.01 0.51 -0.15 115.64 121.02 1yr0 s THR 84 Ca 0.30 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1yr0 s THR 84 Cb 0.16 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1yr0 s THR 84 CO 0.21 0.55 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.44 1yr0 s ARG 85 N 0.07 0.70 -0.21 4.92 1.81 -0.37 -3.97 118.95 121.90 1yr0 s ARG 85 Ca -0.07 -0.87 -0.05 0.00 -1.72 0.00 0.00 55.73 53.02 1yr0 s ARG 85 Cb -0.15 -0.61 -0.02 0.00 -0.45 0.00 0.00 34.95 33.72 1yr0 s ARG 85 CO 0.05 0.13 -0.02 -2.00 -0.68 0.00 0.00 175.30 172.78 1yr0 s GLU 86 N -1.67 3.51 0.27 3.54 2.12 -0.11 -0.65 118.70 125.71 1yr0 s GLU 86 Ca -0.05 -0.57 0.05 0.00 0.36 0.00 0.00 54.97 54.76 1yr0 s GLU 86 Cb -0.10 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 1yr0 s GLU 86 CO 0.02 -0.09 0.41 -3.38 -0.54 0.00 0.00 175.26 171.67 1yr0 s HIS 87 N 1.25 3.38 -0.02 5.30 -3.43 -1.18 -1.40 115.29 119.20 1yr0 s HIS 87 Ca 0.03 -0.02 -0.01 0.00 -0.80 0.00 0.00 55.06 54.27 1yr0 s HIS 87 Cb -0.15 -1.70 0.01 0.00 -1.43 0.00 0.00 32.58 29.31 1yr0 s HIS 87 CO 0.00 0.30 0.04 -1.12 -2.00 0.00 0.00 174.74 171.96 1yr0 s SER 88 N -4.03 -0.02 -0.08 7.38 0.01 0.19 -4.82 113.70 112.33 1yr0 s SER 88 Ca 0.37 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1yr0 s SER 88 Cb -0.09 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.20 1yr0 s SER 88 CO 0.30 -0.04 -0.07 -0.69 0.41 0.00 0.00 173.24 173.16 1yr0 s VAL 89 N 0.26 0.83 -0.13 3.43 1.01 -1.26 -0.81 120.40 123.73 1yr0 s VAL 89 Ca -0.02 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1yr0 s VAL 89 Cb -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1yr0 s VAL 89 CO -0.01 0.32 -0.17 -0.31 0.00 0.00 0.00 175.10 174.93 1yr0 s TYR 90 N 1.35 2.25 -0.15 5.22 1.51 0.53 -5.01 117.35 123.04 1yr0 s TYR 90 Ca -0.03 -1.14 -0.04 0.00 -1.01 0.00 0.00 57.07 54.86 1yr0 s TYR 90 Cb -0.14 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1yr0 s TYR 90 CO -0.03 -0.57 -0.04 0.08 -1.11 0.00 0.00 175.55 173.88 1yr0 s VAL 91 N 1.05 3.90 0.33 0.71 1.01 -1.26 -0.84 120.40 125.29 1yr0 s VAL 91 Ca -0.04 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 1yr0 s VAL 91 Cb -0.15 -2.71 -0.12 0.00 0.00 0.00 0.00 36.38 33.40 1yr0 s VAL 91 CO -0.04 0.49 1.27 1.57 0.00 0.00 0.00 175.10 178.40 1yr0 n HIS 92 N 3.52 2.21 0.15 5.22 -0.00 -0.17 -4.84 115.22 121.29 1yr0 n HIS 92 Ca -0.17 0.56 0.19 0.00 0.46 0.00 0.00 57.72 58.76 1yr0 n HIS 92 Cb 0.52 -2.40 0.78 0.00 -0.12 0.00 0.00 29.99 28.77 1yr0 n HIS 92 CO 0.00 0.00 0.00 1.57 0.46 0.00 0.00 176.34 178.37 1yr0 h LYS 93 N 2.55 0.00 -0.52 1.57 2.10 -1.96 -0.95 116.57 119.36 1yr0 h LYS 93 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1yr0 h LYS 93 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1yr0 h LYS 93 CO 0.63 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.83 1yr0 n ASP 94 N -3.65 3.90 -0.69 7.07 8.00 -1.26 -4.37 116.55 125.55 1yr0 n ASP 94 Ca 0.05 -2.28 0.05 0.00 0.71 0.00 0.00 54.79 53.32 1yr0 n ASP 94 Cb 0.52 -0.44 0.09 0.00 -0.02 0.00 0.00 41.12 41.26 1yr0 n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yr0 n ALA 95 N 0.84 2.53 -1.63 2.24 0.00 -0.36 -5.08 120.51 119.05 1yr0 n ALA 95 Ca 0.20 -2.26 -0.32 0.00 0.00 0.00 0.00 53.44 51.07 1yr0 n ALA 95 Cb 0.69 -0.50 0.03 0.00 0.00 0.00 0.00 19.45 19.66 1yr0 n ALA 95 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1yr0 s ARG 96 N -1.40 3.16 -0.12 0.00 1.81 -1.22 -4.00 118.95 117.18 1yr0 s ARG 96 Ca 0.25 1.04 0.00 0.00 -1.72 0.00 0.00 55.73 55.30 1yr0 s ARG 96 Cb 0.25 -2.02 0.00 0.00 -0.45 0.00 0.00 34.95 32.74 1yr0 s ARG 96 CO -0.05 -0.93 0.00 0.41 -0.68 0.00 0.00 175.30 174.05 1yr0 n GLY 97 N -1.62 0.50 0.76 -3.53 0.00 -1.26 -4.91 105.19 95.13 1yr0 n GLY 97 Ca 0.08 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.71 1yr0 n GLY 97 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1yr0 n HIS 98 N -2.91 0.64 -1.37 1.61 8.25 -1.26 -4.96 115.22 115.22 1yr0 n HIS 98 Ca -0.01 -0.60 -0.13 0.00 -0.26 0.00 0.00 57.72 56.73 1yr0 n HIS 98 Cb 0.07 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 1yr0 n HIS 98 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yr0 n GLY 99 N 0.32 1.33 0.23 -1.41 0.00 -1.26 -4.90 105.19 99.51 1yr0 n GLY 99 Ca 0.15 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1yr0 n GLY 99 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yr0 h ILE 100 N 0.00 1.29 -0.65 -0.61 2.04 -1.93 -2.94 117.51 114.71 1yr0 h ILE 100 Ca -0.26 -1.58 0.10 0.00 1.00 0.00 0.00 64.86 64.12 1yr0 h ILE 100 Cb 0.90 1.60 -0.07 0.00 -0.74 0.00 0.00 36.82 38.51 1yr0 h ILE 100 CO 0.38 0.51 0.27 1.23 0.00 0.00 0.00 178.15 180.55 1yr0 h GLY 101 N 0.55 0.94 1.13 5.37 0.00 -1.94 0.38 103.07 109.49 1yr0 h GLY 101 Ca 0.03 -0.16 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 1yr0 h GLY 101 CO 0.09 0.00 -0.30 1.70 0.00 0.00 0.00 176.54 178.03 1yr0 h LYS 102 N 0.47 0.98 -0.51 4.80 3.64 -1.96 -3.11 116.57 120.88 1yr0 h LYS 102 Ca 0.33 -0.47 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 1yr0 h LYS 102 Cb 0.39 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1yr0 h LYS 102 CO -0.30 1.13 -0.11 0.00 -2.27 0.00 0.00 179.45 177.90 1yr0 h ARG 103 N 0.82 0.95 -0.53 1.90 3.08 -1.23 -0.19 114.38 119.19 1yr0 h ARG 103 Ca 0.09 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1yr0 h ARG 103 Cb 0.89 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1yr0 h ARG 103 CO 0.08 1.01 0.00 1.28 -1.07 0.00 0.00 179.97 181.27 1yr0 n LEU 104 N -4.15 0.35 0.00 3.04 4.77 0.07 -1.32 117.00 119.76 1yr0 n LEU 104 Ca 0.02 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1yr0 n LEU 104 Cb 0.39 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1yr0 n LEU 104 CO 0.45 0.08 0.00 1.67 -1.33 0.00 0.00 177.39 178.25 1yr0 n GLN 106 N 0.46 0.00 -0.17 3.23 -0.06 -0.08 -1.61 117.38 119.15 1yr0 n GLN 106 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 1yr0 n GLN 106 Cb 0.08 0.00 0.04 0.00 -4.06 0.00 0.00 30.24 26.30 1yr0 n GLN 106 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1yr0 h ALA 107 N 0.00 0.83 -0.33 1.69 0.00 -1.45 -1.71 119.26 118.29 1yr0 h ALA 107 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1yr0 h ALA 107 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1yr0 h ALA 107 CO 0.00 0.66 -0.05 -0.07 0.00 0.00 0.00 179.25 179.78 1yr0 h LEU 108 N 0.88 0.62 -0.79 0.00 3.38 -1.58 -1.88 115.31 115.94 1yr0 h LEU 108 Ca 0.14 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1yr0 h LEU 108 Cb 0.64 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1yr0 h LEU 108 CO 0.04 0.82 0.51 0.40 0.09 0.00 0.00 178.44 180.30 1yr0 h ILE 109 N 0.41 1.13 -0.52 1.22 2.04 -1.80 0.20 117.51 120.18 1yr0 h ILE 109 Ca 0.09 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 1yr0 h ILE 109 Cb 0.54 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1yr0 h ILE 109 CO 0.03 0.18 -0.12 0.44 0.00 0.00 0.00 178.15 178.68 1yr0 h ASP 110 N 0.99 1.00 -0.25 1.72 3.32 -1.20 -1.10 116.42 120.90 1yr0 h ASP 110 Ca 0.32 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1yr0 h ASP 110 Cb 0.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1yr0 h ASP 110 CO -0.11 1.11 -0.10 -0.74 -1.72 0.00 0.00 179.24 177.68 1yr0 h HIS 111 N 0.88 0.59 -0.76 4.55 2.76 -0.75 -2.98 115.15 119.44 1yr0 h HIS 111 Ca 0.14 -0.14 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1yr0 h HIS 111 Cb 0.68 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.46 1yr0 h HIS 111 CO 0.04 0.77 0.50 0.00 -1.30 0.00 0.00 177.93 177.94 1yr0 h ALA 112 N 0.74 0.98 -0.25 5.26 0.00 -0.51 -1.82 119.26 123.66 1yr0 h ALA 112 Ca 0.06 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1yr0 h ALA 112 Cb 0.60 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1yr0 h ALA 112 CO 0.03 0.34 0.18 0.78 0.00 0.00 0.00 179.25 180.58 1yr0 h GLY 113 N 0.99 0.12 -2.60 0.00 0.00 -1.09 -0.94 103.07 99.56 1yr0 h GLY 113 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1yr0 h GLY 113 CO -0.08 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.10 1yr0 n GLY 114 N -1.56 3.28 1.29 4.60 0.00 -0.75 -4.37 105.19 107.69 1yr0 n GLY 114 Ca 0.02 -0.91 -0.00 0.00 0.00 0.00 0.00 46.02 45.14 1yr0 n GLY 114 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yr0 n ASN 115 N 0.34 2.06 -2.40 1.61 5.15 -0.40 -4.97 115.26 116.65 1yr0 n ASN 115 Ca 0.24 -3.21 -0.19 0.00 -0.60 0.00 0.00 54.58 50.83 1yr0 n ASN 115 Cb 0.97 -0.43 -0.01 0.00 -0.53 0.00 0.00 39.78 39.77 1yr0 n ASN 115 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1yr0 n ASP 116 N -0.58 -5.45 -4.69 1.20 4.64 -1.23 -4.96 116.55 105.48 1yr0 n ASP 116 Ca 0.19 0.04 -0.37 0.00 -1.38 0.00 0.00 54.79 53.26 1yr0 n ASP 116 Cb 0.87 -4.56 -0.07 0.00 -1.04 0.00 0.00 41.12 36.32 1yr0 n ASP 116 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1yr0 s VAL 117 N -2.94 5.24 -0.19 5.18 1.01 -0.92 -4.70 120.40 123.08 1yr0 s VAL 117 Ca 0.00 0.67 0.08 0.00 0.00 0.00 0.00 61.98 62.73 1yr0 s VAL 117 Cb 0.00 -3.70 -0.22 0.00 0.00 0.00 0.00 36.38 32.46 1yr0 s VAL 117 CO 0.00 0.31 0.07 1.57 0.00 0.00 0.00 175.10 177.05 1yr0 n HIS 118 N 4.09 0.29 -3.85 5.22 -0.00 0.79 -4.59 115.22 117.18 1yr0 n HIS 118 Ca -0.09 0.08 -0.15 0.00 0.46 0.00 0.00 57.72 58.01 1yr0 n HIS 118 Cb 0.51 -1.05 -0.16 0.00 -0.12 0.00 0.00 29.99 29.18 1yr0 n HIS 118 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1yr0 s VAL 119 N -2.52 0.05 -0.16 3.57 1.01 -0.81 -0.55 120.40 121.00 1yr0 s VAL 119 Ca -0.20 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1yr0 s VAL 119 Cb 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.27 1yr0 s VAL 119 CO 0.74 0.10 0.04 -0.76 0.00 0.00 0.00 175.10 175.22 1yr0 s LEU 120 N 0.91 3.70 -0.02 3.92 1.43 -0.37 -1.24 118.68 127.01 1yr0 s LEU 120 Ca -0.08 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 1yr0 s LEU 120 Cb -0.12 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1yr0 s LEU 120 CO -0.02 0.22 -0.16 -0.63 0.23 0.00 0.00 176.35 175.99 1yr0 s ILE 121 N 0.08 2.95 -0.03 -0.59 -1.09 0.18 -0.76 121.20 121.93 1yr0 s ILE 121 Ca 0.04 -0.89 0.06 0.00 -2.23 0.00 0.00 60.65 57.63 1yr0 s ILE 121 Cb -0.12 -2.18 -0.01 0.00 -1.58 0.00 0.00 42.46 38.56 1yr0 s ILE 121 CO 0.01 0.50 -0.22 0.00 -1.23 0.00 0.00 174.94 174.01 1yr0 s ALA 122 N -0.80 1.86 -0.36 9.38 0.00 -1.26 -3.09 121.76 127.49 1yr0 s ALA 122 Ca 0.13 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1yr0 s ALA 122 Cb -0.11 -0.51 0.10 0.00 0.00 0.00 0.00 23.12 22.60 1yr0 s ALA 122 CO 0.02 0.42 0.07 0.00 0.00 0.00 0.00 175.76 176.28 1yr0 s ALA 123 N -0.37 2.94 -0.12 0.00 0.00 -1.26 -4.27 121.76 118.68 1yr0 s ALA 123 Ca 0.05 -2.58 -0.02 0.00 0.00 0.00 0.00 51.96 49.40 1yr0 s ALA 123 Cb -0.10 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1yr0 s ALA 123 CO 0.00 -1.72 -0.04 0.42 0.00 0.00 0.00 175.76 174.42 1yr0 s ILE 124 N 0.85 3.87 0.07 0.00 1.01 -0.26 -4.95 121.20 121.80 1yr0 s ILE 124 Ca 0.11 -0.39 -0.31 0.00 0.00 0.00 0.00 60.65 60.07 1yr0 s ILE 124 Cb -0.20 -2.65 -0.10 0.00 0.01 0.00 0.00 42.46 39.52 1yr0 s ILE 124 CO -0.07 0.54 1.92 1.21 0.00 0.00 0.00 174.94 178.53 1yr0 n GLU 125 N 2.95 2.81 -0.44 2.79 0.00 -1.26 -0.61 120.64 126.89 1yr0 n GLU 125 Ca -0.18 1.03 0.37 0.00 0.00 0.00 0.00 57.16 58.38 1yr0 n GLU 125 Cb 0.53 -2.95 0.65 0.00 0.00 0.00 0.00 31.44 29.66 1yr0 n GLU 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1yr0 h ALA 126 N 9.68 2.70 -0.00 4.31 0.00 -1.58 0.12 119.26 134.49 1yr0 h ALA 126 Ca -0.48 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1yr0 h ALA 126 Cb 1.23 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1yr0 h ALA 126 CO 0.94 -1.36 -0.12 0.39 0.00 0.00 0.00 179.25 179.11 1yr0 n GLU 127 N -4.75 0.24 -2.17 0.00 -0.58 -1.26 -4.51 120.64 107.62 1yr0 n GLU 127 Ca 0.38 -0.06 -0.42 0.00 -0.42 0.00 0.00 57.16 56.64 1yr0 n GLU 127 Cb 1.45 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 30.81 1yr0 n GLU 127 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1yr0 n ASN 128 N -1.33 4.34 -0.34 1.62 2.85 0.41 -4.74 115.26 118.07 1yr0 n ASN 128 Ca 0.10 -2.87 -0.02 0.00 -0.11 0.00 0.00 54.58 51.68 1yr0 n ASN 128 Cb 0.31 -1.69 0.10 0.00 1.24 0.00 0.00 39.78 39.74 1yr0 n ASN 128 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1yr0 h THR 129 N 4.93 1.21 -0.94 -0.44 2.02 -1.84 -1.93 112.91 115.92 1yr0 h THR 129 Ca 0.49 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1yr0 h THR 129 Cb 0.77 -0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 1yr0 h THR 129 CO 1.64 0.22 0.62 0.00 0.37 0.00 0.00 175.52 178.37 1yr0 h ALA 130 N 1.35 1.19 -0.43 6.16 0.00 -1.98 0.15 119.26 125.69 1yr0 h ALA 130 Ca 0.34 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1yr0 h ALA 130 Cb -0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.30 1yr0 h ALA 130 CO -0.09 0.58 -0.27 1.03 0.00 0.00 0.00 179.25 180.51 1yr0 h SER 131 N 1.27 0.95 -0.46 0.00 0.87 -1.82 -1.56 113.55 112.81 1yr0 h SER 131 Ca 0.34 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1yr0 h SER 131 Cb -0.15 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.53 1yr0 h SER 131 CO -0.07 1.15 0.23 0.40 -0.53 0.00 0.00 176.83 178.01 1yr0 h ILE 132 N 0.78 1.18 -0.77 2.23 2.04 -0.74 -1.76 117.51 120.47 1yr0 h ILE 132 Ca 0.09 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1yr0 h ILE 132 Cb 0.83 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1yr0 h ILE 132 CO 0.07 0.19 0.33 0.03 0.00 0.00 0.00 178.15 178.78 1yr0 h ARG 133 N 0.59 1.12 -0.25 2.37 3.08 -0.88 0.10 114.38 120.52 1yr0 h ARG 133 Ca 0.16 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1yr0 h ARG 133 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1yr0 h ARG 133 CO -0.02 0.89 0.14 1.25 -1.07 0.00 0.00 179.97 181.16 1yr0 h LEU 134 N 1.10 0.31 -0.97 3.04 5.85 -0.94 -0.69 115.31 123.02 1yr0 h LEU 134 Ca 0.26 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1yr0 h LEU 134 Cb 0.17 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1yr0 h LEU 134 CO -0.03 0.30 -0.02 0.45 -0.34 0.00 0.00 178.44 178.80 1yr0 h HIS 135 N 0.30 0.77 -0.72 1.25 3.86 -0.93 -2.69 115.15 116.99 1yr0 h HIS 135 Ca 0.09 -0.11 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 1yr0 h HIS 135 Cb 0.05 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 1yr0 h HIS 135 CO -0.04 0.73 0.22 0.93 0.86 0.00 0.00 177.93 180.64 1yr0 h GLU 136 N 0.68 1.12 0.00 2.45 5.08 -0.59 -1.02 114.58 122.29 1yr0 h GLU 136 Ca 0.13 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1yr0 h GLU 136 Cb 0.45 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1yr0 h GLU 136 CO 0.02 0.96 0.00 -1.13 -1.00 0.00 0.00 179.01 177.86 1yr0 n SER 137 N -4.28 0.00 -0.56 1.42 3.41 -0.30 -1.77 113.62 111.54 1yr0 n SER 137 Ca 0.05 0.36 0.07 0.00 -0.26 0.00 0.00 58.87 59.09 1yr0 n SER 137 Cb 0.23 -0.41 0.18 0.00 -0.26 0.00 0.00 64.21 63.94 1yr0 n SER 137 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1yr0 n LEU 138 N -1.41 3.10 0.00 1.04 4.77 -0.74 -4.97 117.00 118.78 1yr0 n LEU 138 Ca 0.03 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 1yr0 n LEU 138 Cb 0.09 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1yr0 n LEU 138 CO 0.08 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1yr0 n GLY 139 N -0.41 0.73 3.77 -0.72 0.00 -0.73 -5.06 105.19 102.76 1yr0 n GLY 139 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1yr0 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yr0 s PHE 140 N -2.20 2.70 0.04 1.61 0.40 -0.46 -4.78 117.98 115.28 1yr0 s PHE 140 Ca 0.00 1.37 0.06 0.00 -0.60 0.00 0.00 56.93 57.76 1yr0 s PHE 140 Cb 0.00 -3.74 -0.02 0.00 0.51 0.00 0.00 43.02 39.77 1yr0 s PHE 140 CO 0.00 -2.34 -0.17 1.03 0.70 0.00 0.00 175.22 174.43 1yr0 s ARG 141 N -2.34 1.18 0.26 0.44 0.52 -0.36 -4.24 118.95 114.41 1yr0 s ARG 141 Ca 0.59 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.68 1yr0 s ARG 141 Cb -0.39 -1.23 -0.10 0.00 0.52 0.00 0.00 34.95 33.74 1yr0 s ARG 141 CO 0.50 0.31 1.44 0.08 0.02 0.00 0.00 175.30 177.66 1yr0 s VAL 142 N -0.77 2.60 -0.24 3.52 1.01 -1.26 -0.95 120.40 124.31 1yr0 s VAL 142 Ca 0.05 0.51 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 1yr0 s VAL 142 Cb -0.08 -3.33 -0.13 0.00 0.00 0.00 0.00 36.38 32.84 1yr0 s VAL 142 CO 0.01 0.09 -0.25 0.52 0.00 0.00 0.00 175.10 175.47 1yr0 n VAL 143 N 2.12 1.35 0.00 2.92 0.31 0.65 -4.89 118.33 120.79 1yr0 n VAL 143 Ca 0.06 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1yr0 n VAL 143 Cb 0.40 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 1yr0 n VAL 143 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yr0 n GLY 144 N 2.03 -0.26 2.88 2.92 0.00 -1.18 -5.02 105.19 106.55 1yr0 n GLY 144 Ca -0.44 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 1yr0 n GLY 144 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yr0 s ARG 145 N -2.00 1.35 0.05 1.61 3.52 -1.26 -1.04 118.95 121.17 1yr0 s ARG 145 Ca 0.00 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 54.99 1yr0 s ARG 145 Cb 0.00 -1.70 -0.04 0.00 -1.56 0.00 0.00 34.95 31.64 1yr0 s ARG 145 CO 0.00 -0.35 0.93 -0.06 -0.81 0.00 0.00 175.30 175.01 1yr0 s PHE 146 N 1.72 3.73 -0.18 5.12 0.40 0.93 -4.89 117.98 124.79 1yr0 s PHE 146 Ca 0.03 1.69 -0.18 0.00 -0.60 0.00 0.00 56.93 57.86 1yr0 s PHE 146 Cb -0.14 -3.04 -0.03 0.00 0.51 0.00 0.00 43.02 40.32 1yr0 s PHE 146 CO -0.08 0.12 0.51 0.45 0.70 0.00 0.00 175.22 176.92 1yr0 s SER 147 N 0.46 6.58 -1.63 1.36 0.15 -1.26 -0.87 113.70 118.49 1yr0 s SER 147 Ca 0.47 0.70 -0.17 0.00 0.70 0.00 0.00 55.95 57.65 1yr0 s SER 147 Cb -0.22 -2.29 0.13 0.00 -1.71 0.00 0.00 66.02 61.94 1yr0 s SER 147 CO 0.28 -0.14 0.84 -0.62 1.20 0.00 0.00 173.24 174.79 1yr0 n GLU 148 N 4.55 -3.88 0.00 5.44 1.02 -1.16 -4.83 120.64 121.78 1yr0 n GLU 148 Ca -0.05 0.44 0.14 0.00 -0.02 0.00 0.00 57.16 57.67 1yr0 n GLU 148 Cb 0.51 -5.23 0.57 0.00 -0.02 0.00 0.00 31.44 27.27 1yr0 n GLU 148 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1yr0 n VAL 149 N -4.45 0.00 -4.21 2.62 0.24 -0.76 -4.72 118.33 107.05 1yr0 n VAL 149 Ca 0.07 -0.08 -0.12 0.00 -2.04 0.00 0.00 64.34 62.16 1yr0 n VAL 149 Cb 0.50 0.02 -0.10 0.00 -1.47 0.00 0.00 33.84 32.79 1yr0 n VAL 149 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1yr0 s GLY 150 N -2.43 1.22 -0.09 7.63 0.00 -0.87 -4.99 107.32 107.78 1yr0 s GLY 150 Ca 0.29 -1.59 -0.08 0.00 0.00 0.00 0.00 44.72 43.34 1yr0 s GLY 150 CO 0.47 -1.45 0.24 -1.08 0.00 0.00 0.00 173.10 171.28 1yr0 s THR 151 N -3.89 -0.01 -0.13 0.90 -1.32 -1.26 0.67 115.64 110.60 1yr0 s THR 151 Ca 0.28 0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.48 1yr0 s THR 151 Cb 0.07 -0.35 0.12 0.00 -1.51 0.00 0.00 72.50 70.83 1yr0 s THR 151 CO 0.05 0.01 0.96 -0.75 -2.21 0.00 0.00 174.62 172.69 1yr0 s LYS 152 N 0.35 0.65 -1.58 7.08 2.20 -0.75 -4.89 119.74 122.82 1yr0 s LYS 152 Ca -0.02 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1yr0 s LYS 152 Cb -0.03 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 1yr0 s LYS 152 CO -0.01 -0.22 0.00 1.19 -0.36 0.00 0.00 175.35 175.95 1yr0 n PHE 153 N 0.61 -0.95 -1.72 4.03 3.72 -1.26 -1.60 117.46 120.29 1yr0 n PHE 153 Ca -0.11 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.24 1yr0 n PHE 153 Cb 0.58 -3.41 -0.01 0.00 -0.94 0.00 0.00 39.48 35.71 1yr0 n PHE 153 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yr0 n GLY 154 N -0.80 0.41 3.23 1.37 0.00 -1.26 -5.04 105.19 103.10 1yr0 n GLY 154 Ca -0.20 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 1yr0 n GLY 154 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1yr0 s ARG 155 N -3.52 0.89 0.37 1.61 1.70 -0.63 -5.14 118.95 114.23 1yr0 s ARG 155 Ca 0.00 -0.92 -0.25 0.00 -0.47 0.00 0.00 55.73 54.08 1yr0 s ARG 155 Cb 0.00 0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 1yr0 s ARG 155 CO 0.00 -0.30 1.09 -1.58 -1.08 0.00 0.00 175.30 173.43 1yr0 s TRP 156 N -3.85 3.29 0.02 5.89 0.23 -1.26 -1.80 118.94 121.46 1yr0 s TRP 156 Ca 0.05 1.64 0.06 0.00 -2.03 0.00 0.00 56.10 55.82 1yr0 s TRP 156 Cb 0.04 -3.22 -0.02 0.00 0.03 0.00 0.00 33.47 30.30 1yr0 s TRP 156 CO -0.11 -0.76 -0.18 -0.51 0.96 0.00 0.00 176.95 176.35 1yr0 s LEU 157 N -2.34 2.12 0.16 2.99 1.43 0.21 -4.91 118.68 118.34 1yr0 s LEU 157 Ca 0.55 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1yr0 s LEU 157 Cb -0.26 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1yr0 s LEU 157 CO 0.33 0.15 0.25 -1.81 0.23 0.00 0.00 176.35 175.50 1yr0 s ASP 158 N -0.92 6.13 -0.21 2.29 1.01 -1.26 -1.83 116.67 121.88 1yr0 s ASP 158 Ca 0.06 0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.41 1yr0 s ASP 158 Cb -0.08 -1.78 0.04 0.00 1.01 0.00 0.00 42.92 42.11 1yr0 s ASP 158 CO 0.01 0.05 -0.11 -0.22 0.21 0.00 0.00 175.17 175.10 1yr0 s LEU 159 N -3.27 2.42 -0.23 1.23 2.96 -0.05 -1.46 118.68 120.29 1yr0 s LEU 159 Ca 0.34 -0.93 -0.12 0.00 -0.22 0.00 0.00 54.13 53.19 1yr0 s LEU 159 Cb -0.11 -1.30 -0.05 0.00 0.50 0.00 0.00 46.19 45.24 1yr0 s LEU 159 CO 0.27 -0.14 0.24 -0.89 -1.32 0.00 0.00 176.35 174.51 1yr0 s THR 160 N 1.34 5.31 0.50 3.68 2.01 0.22 -0.05 115.64 128.65 1yr0 s THR 160 Ca -0.02 0.35 0.07 0.00 0.31 0.00 0.00 61.69 62.41 1yr0 s THR 160 Cb -0.16 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.80 1yr0 s THR 160 CO -0.08 0.31 0.49 0.00 -0.69 0.00 0.00 174.62 174.65 1yr0 s GLU 163 N -4.32 0.49 -0.16 0.00 -1.05 -0.12 -0.25 118.70 113.29 1yr0 s GLU 163 Ca 0.46 0.10 -0.02 0.00 -0.15 0.00 0.00 54.97 55.36 1yr0 s GLU 163 Cb -0.04 0.23 0.05 0.00 -0.44 0.00 0.00 34.13 33.93 1yr0 s GLU 163 CO 0.28 -0.16 0.01 -1.17 0.95 0.00 0.00 175.26 175.18 1yr0 s LEU 164 N -1.17 1.15 -0.08 1.83 2.96 0.06 -1.22 118.68 122.20 1yr0 s LEU 164 Ca 0.01 -0.65 -0.25 0.00 -0.22 0.00 0.00 54.13 53.02 1yr0 s LEU 164 Cb -0.01 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 46.03 1yr0 s LEU 164 CO -0.01 -0.26 0.79 -0.75 -1.32 0.00 0.00 176.35 174.80 1yr0 s LYS 165 N 1.84 4.42 0.00 1.98 2.20 -1.26 -1.24 119.74 127.68 1yr0 s LYS 165 Ca 0.00 1.03 0.24 0.00 -0.36 0.00 0.00 55.97 56.89 1yr0 s LYS 165 Cb -0.16 -3.49 0.26 0.00 -1.51 0.00 0.00 37.83 32.94 1yr0 s LYS 165 CO -0.07 -0.07 1.30 1.28 -0.36 0.00 0.00 175.35 177.43