#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 4.61 -0.02 -3.33 0.11 -1.26 -4.80 120.40 115.70 1yr0 s VAL 5 Ca 0.00 1.55 0.07 0.00 -2.93 0.00 0.00 61.98 60.66 1yr0 s VAL 5 Cb 0.00 -4.07 -0.02 0.00 -1.53 0.00 0.00 36.38 30.77 1yr0 s VAL 5 CO 0.00 0.46 -0.22 -1.61 -3.33 0.00 0.00 175.10 170.40 1yr0 s GLU 6 N -0.67 1.90 -0.06 1.54 0.41 -0.67 -4.94 118.70 116.21 1yr0 s GLU 6 Ca 0.35 -0.80 -0.03 0.00 -0.41 0.00 0.00 54.97 54.08 1yr0 s GLU 6 Cb -0.21 -1.78 -0.04 0.00 -1.78 0.00 0.00 34.13 30.32 1yr0 s GLU 6 CO 0.23 0.45 0.08 -0.51 -0.49 0.00 0.00 175.26 175.02 1yr0 s LEU 7 N -0.44 4.00 0.20 1.80 1.02 -1.26 0.08 118.68 124.08 1yr0 s LEU 7 Ca 0.06 0.26 -0.23 0.00 0.02 0.00 0.00 54.13 54.24 1yr0 s LEU 7 Cb -0.09 -2.10 0.05 0.00 0.02 0.00 0.00 46.19 44.06 1yr0 s LEU 7 CO -0.00 0.35 0.85 0.00 0.02 0.00 0.00 176.35 177.56 1yr0 s ARG 8 N -1.28 1.43 0.44 1.70 1.70 -0.89 -5.01 118.95 117.05 1yr0 s ARG 8 Ca 0.18 -0.78 -0.25 0.00 -0.47 0.00 0.00 55.73 54.41 1yr0 s ARG 8 Cb -0.12 0.50 -0.08 0.00 -0.57 0.00 0.00 34.95 34.68 1yr0 s ARG 8 CO 0.08 -0.65 1.34 -0.51 -1.08 0.00 0.00 175.30 174.47 1yr0 s ASP 9 N -2.91 6.04 0.22 -2.89 -0.00 -1.26 -1.73 116.67 114.14 1yr0 s ASP 9 Ca 0.11 2.72 -0.08 0.00 -0.00 0.00 0.00 52.55 55.30 1yr0 s ASP 9 Cb -0.03 -2.64 -0.06 0.00 -0.00 0.00 0.00 42.92 40.18 1yr0 s ASP 9 CO 0.03 -1.04 0.51 0.00 -0.00 0.00 0.00 175.17 174.67 1yr0 s ALA 10 N -1.27 3.63 0.42 5.23 0.00 -0.29 -4.79 121.76 124.69 1yr0 s ALA 10 Ca 0.60 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1yr0 s ALA 10 Cb -0.39 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1yr0 s ALA 10 CO 0.50 0.50 0.07 0.95 0.00 0.00 0.00 175.76 177.78 1yr0 s THR 11 N -1.83 1.00 0.55 0.00 -4.23 -1.26 -4.96 115.64 104.92 1yr0 s THR 11 Ca 0.45 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.27 1yr0 s THR 11 Cb -0.11 -2.46 0.45 0.00 1.34 0.00 0.00 72.50 71.72 1yr0 s THR 11 CO 0.23 0.00 1.90 1.62 -0.54 0.00 0.00 174.62 177.83 1yr0 h VAL 12 N 1.74 0.53 0.00 2.29 3.04 -2.02 0.25 116.25 122.09 1yr0 h VAL 12 Ca -0.40 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1yr0 h VAL 12 Cb 1.27 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1yr0 h VAL 12 CO 0.66 0.00 -0.02 0.44 -1.01 0.00 0.00 177.57 177.64 1yr0 h ASP 13 N 0.00 0.00 0.40 3.17 5.19 -2.02 -2.80 116.42 120.36 1yr0 h ASP 13 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 1yr0 h ASP 13 Cb 1.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.05 1yr0 h ASP 13 CO -0.00 0.02 -0.61 0.47 -3.12 0.00 0.00 179.24 176.00 1yr0 n ASP 14 N -3.14 0.61 -0.25 6.45 8.00 0.87 -4.28 116.55 124.81 1yr0 n ASP 14 Ca -0.00 -0.41 0.10 0.00 0.71 0.00 0.00 54.79 55.19 1yr0 n ASP 14 Cb 0.26 0.41 0.36 0.00 -0.02 0.00 0.00 41.12 42.12 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 0.00 0.68 -0.52 0.64 3.38 -1.51 -0.68 115.31 117.30 1yr0 h LEU 15 Ca 0.00 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1yr0 h LEU 15 Cb 0.50 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1yr0 h LEU 15 CO 0.00 0.39 0.09 0.28 0.09 0.00 0.00 178.44 179.28 1yr0 h SER 16 N 0.75 0.83 0.79 -0.43 0.02 -1.79 -2.77 113.55 110.95 1yr0 h SER 16 Ca 0.41 -0.26 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 1yr0 h SER 16 Cb 0.54 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1yr0 h SER 16 CO -0.17 0.88 -0.54 1.23 -1.14 0.00 0.00 176.83 177.09 1yr0 h GLY 17 N 0.75 0.00 -1.78 -3.77 0.00 -1.65 -2.82 103.07 93.80 1yr0 h GLY 17 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1yr0 h GLY 17 CO 0.01 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.94 1yr0 n ILE 18 N -3.62 0.53 0.00 2.60 5.41 -0.33 -3.53 119.36 120.42 1yr0 n ILE 18 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1yr0 n ILE 18 Cb 0.60 -0.73 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 1yr0 n ILE 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1yr0 n GLU 20 N 0.54 0.00 -0.08 0.38 1.02 -1.06 -1.14 120.64 120.29 1yr0 n GLU 20 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1yr0 n GLU 20 Cb 0.31 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.68 1yr0 n GLU 20 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1yr0 h ILE 21 N 0.00 1.29 0.29 -3.67 2.04 -1.87 -2.65 117.51 112.95 1yr0 h ILE 21 Ca 0.00 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 1yr0 h ILE 21 Cb 0.00 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1yr0 h ILE 21 CO 0.00 0.52 -0.14 0.22 0.00 0.00 0.00 178.15 178.75 1yr0 h TYR 22 N 0.53 -0.36 -0.72 1.37 3.20 -1.45 -2.29 116.97 117.25 1yr0 h TYR 22 Ca 0.02 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1yr0 h TYR 22 Cb 1.03 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.38 1yr0 h TYR 22 CO 0.08 -0.20 0.37 -0.91 -1.64 0.00 0.00 178.16 175.86 1yr0 h ASN 23 N -0.43 0.91 -0.32 -2.11 2.35 -1.83 -0.40 115.58 113.76 1yr0 h ASN 23 Ca -0.04 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 1yr0 h ASN 23 Cb 0.32 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1yr0 h ASN 23 CO 0.07 0.75 0.04 -0.78 -1.65 0.00 0.00 177.43 175.86 1yr0 h ASP 24 N 1.02 0.59 -0.34 5.81 3.58 -1.39 -0.54 116.42 125.15 1yr0 h ASP 24 Ca 0.25 -0.11 -0.14 0.00 0.42 0.00 0.00 57.03 57.45 1yr0 h ASP 24 Cb 0.06 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1yr0 h ASP 24 CO -0.04 0.64 -0.34 0.00 -2.88 0.00 0.00 179.24 176.62 1yr0 h ALA 25 N 1.44 0.50 -0.79 -0.78 0.00 -0.73 0.48 119.26 119.38 1yr0 h ALA 25 Ca 0.13 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1yr0 h ALA 25 Cb 0.32 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1yr0 h ALA 25 CO 0.01 0.56 0.42 0.28 0.00 0.00 0.00 179.25 180.52 1yr0 h VAL 26 N 0.62 1.24 0.18 0.00 2.07 -0.58 0.03 116.25 119.81 1yr0 h VAL 26 Ca 0.05 -0.62 -0.32 0.00 0.82 0.00 0.00 66.70 66.64 1yr0 h VAL 26 Cb 0.92 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1yr0 h VAL 26 CO 0.08 0.27 -1.48 0.58 0.02 0.00 0.00 177.57 177.05 1yr0 h VAL 27 N 1.10 1.25 -0.01 2.57 2.07 -1.06 -3.40 116.25 118.77 1yr0 h VAL 27 Ca 0.28 -2.79 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1yr0 h VAL 27 Cb 0.06 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1yr0 h VAL 27 CO -0.04 0.84 -0.18 0.59 0.02 0.00 0.00 177.57 178.80 1yr0 n ASN 28 N -3.59 1.58 -2.86 0.57 3.02 0.15 -5.05 115.26 109.08 1yr0 n ASN 28 Ca -0.16 -1.29 -0.16 0.00 -0.03 0.00 0.00 54.58 52.95 1yr0 n ASN 28 Cb 1.07 0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 40.52 1yr0 n ASN 28 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1yr0 n THR 29 N 0.07 0.00 -0.24 3.41 -2.24 -0.01 -5.01 114.28 110.26 1yr0 n THR 29 Ca 0.06 -1.64 0.08 0.00 -2.27 0.00 0.00 64.05 60.28 1yr0 n THR 29 Cb 0.28 0.69 0.22 0.00 -2.10 0.00 0.00 70.33 69.41 1yr0 n THR 29 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1yr0 n THR 30 N -0.55 0.99 0.27 4.28 -2.24 -1.26 -4.53 114.28 111.24 1yr0 n THR 30 Ca -0.00 -1.00 0.13 0.00 -2.27 0.00 0.00 64.05 60.91 1yr0 n THR 30 Cb 0.42 0.51 0.75 0.00 -2.10 0.00 0.00 70.33 69.90 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 2.88 1.35 -3.24 6.98 0.00 -1.96 -3.40 119.26 121.87 1yr0 h ALA 31 Ca 0.00 -0.09 -0.48 0.00 0.00 0.00 0.00 54.91 54.34 1yr0 h ALA 31 Cb 0.83 -0.02 -0.38 0.00 0.00 0.00 0.00 17.79 18.22 1yr0 h ALA 31 CO 0.00 0.13 -0.78 0.42 0.00 0.00 0.00 179.25 179.02 1yr0 s ILE 32 N -4.30 0.59 -1.47 0.00 1.01 -1.26 -5.01 121.20 110.76 1yr0 s ILE 32 Ca -0.03 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.39 1yr0 s ILE 32 Cb 0.14 -0.76 0.03 0.00 0.01 0.00 0.00 42.46 41.88 1yr0 s ILE 32 CO 0.59 0.22 2.36 0.79 0.00 0.00 0.00 174.94 178.90 1yr0 n TRP 33 N 5.07 3.14 -3.61 3.97 7.02 -1.26 -4.79 117.44 126.98 1yr0 n TRP 33 Ca -0.09 -2.97 -0.02 0.00 -1.02 0.00 0.00 57.50 53.40 1yr0 n TRP 33 Cb 0.50 -2.42 -0.01 0.00 -2.42 0.00 0.00 31.31 26.95 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 2.47 -0.10 -0.18 -0.99 6.03 -1.26 -5.02 114.94 115.90 1yr0 s ASN 34 Ca 0.52 -0.07 0.16 0.00 -1.03 0.00 0.00 52.86 52.44 1yr0 s ASN 34 Cb 0.15 0.15 0.57 0.00 -3.03 0.00 0.00 41.25 39.10 1yr0 s ASN 34 CO -0.07 -0.27 1.48 -0.62 -2.03 0.00 0.00 177.10 175.59 1yr0 n GLU 35 N -0.28 3.29 -2.39 3.55 4.71 -1.26 -4.80 120.64 123.46 1yr0 n GLU 35 Ca -0.04 -2.86 -0.40 0.00 -0.01 0.00 0.00 57.16 53.85 1yr0 n GLU 35 Cb 0.60 -1.89 -0.03 0.00 -1.01 0.00 0.00 31.44 29.11 1yr0 n GLU 35 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1yr0 s VAL 36 N -2.70 3.63 -0.53 2.62 1.01 -1.26 -4.95 120.40 118.21 1yr0 s VAL 36 Ca 0.44 0.39 -0.28 0.00 0.00 0.00 0.00 61.98 62.52 1yr0 s VAL 36 Cb 0.34 -4.58 0.02 0.00 0.00 0.00 0.00 36.38 32.17 1yr0 s VAL 36 CO 0.11 -1.50 1.27 -0.69 0.00 0.00 0.00 175.10 174.29 1yr0 s VAL 37 N 6.73 3.98 0.61 2.92 1.01 -1.26 -4.99 120.40 129.40 1yr0 s VAL 37 Ca 0.46 0.92 -0.14 0.00 0.00 0.00 0.00 61.98 63.23 1yr0 s VAL 37 Cb -0.10 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 1yr0 s VAL 37 CO 0.18 -1.14 1.04 -0.69 0.00 0.00 0.00 175.10 174.48 1yr0 s VAL 38 N 5.19 4.20 0.37 2.92 1.01 -1.26 -5.10 120.40 127.75 1yr0 s VAL 38 Ca 0.49 0.89 0.08 0.00 0.00 0.00 0.00 61.98 63.44 1yr0 s VAL 38 Cb -0.09 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 1yr0 s VAL 38 CO 0.28 -0.77 0.00 1.51 0.00 0.00 0.00 175.10 176.12 1yr0 s ASP 39 N -3.40 3.98 0.21 3.32 -4.77 -1.26 -4.95 116.67 109.79 1yr0 s ASP 39 Ca 0.59 -1.19 -0.17 0.00 -3.30 0.00 0.00 52.55 48.48 1yr0 s ASP 39 Cb -0.13 -0.43 0.21 0.00 -1.09 0.00 0.00 42.92 41.48 1yr0 s ASP 39 CO 0.44 -0.34 1.59 0.25 0.70 0.00 0.00 175.17 177.81 1yr0 h LEU 40 N 1.81 -0.99 -0.81 2.11 5.85 -1.99 -0.97 115.31 120.32 1yr0 h LEU 40 Ca -0.43 0.23 0.14 0.00 0.84 0.00 0.00 57.88 58.67 1yr0 h LEU 40 Cb 1.25 0.55 -0.09 0.00 0.37 0.00 0.00 40.66 42.73 1yr0 h LEU 40 CO 0.73 -0.28 0.38 -0.08 -0.34 0.00 0.00 178.44 178.85 1yr0 h GLU 41 N -0.08 0.53 -0.76 1.25 4.57 -2.00 -0.76 114.58 117.32 1yr0 h GLU 41 Ca 0.30 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.41 1yr0 h GLU 41 Cb 0.55 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 1yr0 h GLU 41 CO -0.75 0.35 0.36 -0.97 -1.18 0.00 0.00 179.01 176.82 1yr0 h ASN 42 N 0.55 0.99 0.64 1.04 -0.73 -1.59 -1.69 115.58 114.79 1yr0 h ASN 42 Ca 0.44 -0.12 -0.05 0.00 1.87 0.00 0.00 56.30 58.45 1yr0 h ASN 42 Cb 0.64 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.97 1yr0 h ASN 42 CO -0.38 0.85 -0.22 0.03 -0.37 0.00 0.00 177.43 177.33 1yr0 h ARG 43 N 1.08 0.00 0.04 6.67 2.47 -0.86 -2.89 114.38 120.90 1yr0 h ARG 43 Ca 0.26 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.98 1yr0 h ARG 43 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1yr0 h ARG 43 CO -0.03 0.22 -0.02 0.87 0.56 0.00 0.00 179.97 181.57 1yr0 h LYS 44 N 0.00 -0.05 -0.92 0.04 1.57 -0.59 0.20 116.57 116.82 1yr0 h LYS 44 Ca -0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1yr0 h LYS 44 Cb 0.60 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 1yr0 h LYS 44 CO 0.03 0.25 0.60 -0.44 -0.57 0.00 0.00 179.45 179.31 1yr0 h ASP 45 N -0.35 0.98 -0.26 0.86 3.32 -1.45 0.32 116.42 119.85 1yr0 h ASP 45 Ca -0.01 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1yr0 h ASP 45 Cb 0.32 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1yr0 h ASP 45 CO 0.01 0.67 0.01 -0.25 -1.72 0.00 0.00 179.24 177.96 1yr0 h TRP 46 N 1.15 0.01 -0.39 4.55 7.01 -1.33 0.25 115.95 127.18 1yr0 h TRP 46 Ca 0.37 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.37 1yr0 h TRP 46 Cb 0.02 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 1yr0 h TRP 46 CO -0.01 -0.03 0.16 0.35 -2.79 0.00 0.00 178.44 176.12 1yr0 h PHE 47 N 0.09 0.60 0.04 2.65 3.57 0.12 -2.15 116.94 121.86 1yr0 h PHE 47 Ca 0.12 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1yr0 h PHE 47 Cb 0.15 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1yr0 h PHE 47 CO -0.19 0.53 -0.07 0.00 -2.23 0.00 0.00 178.31 176.35 1yr0 h ALA 48 N 1.01 -0.10 -0.52 2.41 0.00 0.13 -0.39 119.26 121.79 1yr0 h ALA 48 Ca 0.13 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1yr0 h ALA 48 Cb 0.18 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1yr0 h ALA 48 CO -0.01 -0.57 0.11 0.00 0.00 0.00 0.00 179.25 178.77 1yr0 h ALA 49 N 0.82 0.59 -0.17 0.00 0.00 -0.42 0.78 119.26 120.86 1yr0 h ALA 49 Ca 0.01 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1yr0 h ALA 49 Cb 0.15 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1yr0 h ALA 49 CO -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 179.25 178.87 1yr0 h ARG 50 N 0.24 0.33 -0.38 0.00 2.47 -1.18 -2.65 114.38 113.21 1yr0 h ARG 50 Ca 0.26 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.83 1yr0 h ARG 50 Cb 0.36 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1yr0 h ARG 50 CO -0.34 0.59 0.09 1.15 0.56 0.00 0.00 179.97 182.02 1yr0 h THR 51 N 0.04 1.17 -0.55 2.04 2.02 -0.73 0.66 112.91 117.56 1yr0 h THR 51 Ca 0.04 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 1yr0 h THR 51 Cb 0.47 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1yr0 h THR 51 CO 0.02 0.22 0.11 0.28 0.37 0.00 0.00 175.52 176.52 1yr0 h SER 52 N 0.55 0.85 0.11 4.18 0.02 -0.77 -2.26 113.55 116.22 1yr0 h SER 52 Ca 0.13 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1yr0 h SER 52 Cb 0.21 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1yr0 h SER 52 CO -0.00 0.88 0.00 0.54 -1.14 0.00 0.00 176.83 177.11 1yr0 n ARG 53 N -4.38 0.71 -0.97 3.45 5.12 -1.00 -4.85 116.66 114.75 1yr0 n ARG 53 Ca 0.02 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1yr0 n ARG 53 Cb 0.25 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 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 0.66 0.57 3.78 -0.13 0.00 -0.85 -5.02 105.19 104.20 1yr0 n GLY 54 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.20 3.47 0.51 1.61 0.08 0.19 -4.98 117.98 116.64 1yr0 s PHE 55 Ca 0.00 1.70 -0.13 0.00 0.12 0.00 0.00 56.93 58.63 1yr0 s PHE 55 Cb 0.00 -3.04 -0.06 0.00 -0.57 0.00 0.00 43.02 39.35 1yr0 s PHE 55 CO 0.00 -0.25 0.92 -1.25 -0.10 0.00 0.00 175.22 174.54 1yr0 s PRO 56 N -2.28 3.78 -0.33 0.24 0.04 -1.26 -4.08 135.00 131.12 1yr0 s PRO 56 Ca 0.54 0.70 -0.00 0.00 0.04 0.00 0.00 61.00 62.28 1yr0 s PRO 56 Cb -0.20 -2.21 0.13 0.00 0.04 0.00 0.00 34.50 32.25 1yr0 s PRO 56 CO 0.26 -0.27 0.25 0.08 0.04 0.00 0.00 177.00 177.36 1yr0 s VAL 57 N -2.70 -0.14 -0.12 -0.36 1.01 -1.26 -3.84 120.40 112.99 1yr0 s VAL 57 Ca 0.55 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 1yr0 s VAL 57 Cb -0.10 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1yr0 s VAL 57 CO 0.38 -0.72 0.16 -0.63 0.00 0.00 0.00 175.10 174.29 1yr0 s ILE 58 N 1.68 5.47 0.10 2.22 1.01 -0.26 -1.13 121.20 130.29 1yr0 s ILE 58 Ca 0.14 0.26 0.09 0.00 0.00 0.00 0.00 60.65 61.13 1yr0 s ILE 58 Cb -0.18 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1yr0 s ILE 58 CO -0.16 0.61 -0.22 0.68 0.00 0.00 0.00 174.94 175.84 1yr0 s VAL 59 N -0.95 1.84 -0.29 2.92 -7.23 -0.70 0.13 120.40 116.12 1yr0 s VAL 59 Ca 0.15 -1.54 -0.08 0.00 -1.81 0.00 0.00 61.98 58.70 1yr0 s VAL 59 Cb -0.12 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 1yr0 s VAL 59 CO 0.04 0.02 0.12 0.00 -0.31 0.00 0.00 175.10 174.97 1yr0 s ALA 60 N -1.08 3.21 -0.25 1.32 0.00 0.14 -2.08 121.76 123.02 1yr0 s ALA 60 Ca 0.08 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.62 1yr0 s ALA 60 Cb -0.10 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 1yr0 s ALA 60 CO 0.04 -0.77 0.19 0.42 0.00 0.00 0.00 175.76 175.64 1yr0 s ILE 61 N 1.60 5.33 -0.04 0.00 -1.09 0.11 -0.50 121.20 126.60 1yr0 s ILE 61 Ca 0.05 0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.70 1yr0 s ILE 61 Cb -0.16 -3.53 0.02 0.00 -1.58 0.00 0.00 42.46 37.21 1yr0 s ILE 61 CO 0.05 0.30 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.79 1yr0 s LEU 62 N 1.35 1.41 -1.51 2.97 2.96 0.28 -1.67 118.68 124.47 1yr0 s LEU 62 Ca 0.08 -0.13 -0.12 0.00 -0.22 0.00 0.00 54.13 53.74 1yr0 s LEU 62 Cb -0.14 -0.45 0.08 0.00 0.50 0.00 0.00 46.19 46.17 1yr0 s LEU 62 CO 0.07 -0.04 0.95 -0.67 -1.32 0.00 0.00 176.35 175.34 1yr0 n ASP 63 N 3.91 -4.35 -0.15 3.68 2.03 -1.26 -0.34 116.55 120.08 1yr0 n ASP 63 Ca -0.24 -0.79 -0.02 0.00 0.52 0.00 0.00 54.79 54.26 1yr0 n ASP 63 Cb 0.51 -3.88 -0.01 0.00 -0.72 0.00 0.00 41.12 37.02 1yr0 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yr0 n GLY 64 N -1.69 0.29 3.42 0.27 0.00 -1.26 -4.97 105.19 101.25 1yr0 n GLY 64 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.78 1.52 -0.52 1.61 -0.14 0.54 -5.08 119.74 115.90 1yr0 s LYS 65 Ca 0.00 -1.65 -0.29 0.00 -1.36 0.00 0.00 55.97 52.67 1yr0 s LYS 65 Cb 0.00 -1.57 0.03 0.00 -1.68 0.00 0.00 37.83 34.61 1yr0 s LYS 65 CO 0.00 0.30 1.20 0.08 -0.76 0.00 0.00 175.35 176.17 1yr0 s VAL 66 N -2.46 4.07 -2.41 3.17 1.01 -1.26 -0.56 120.40 121.96 1yr0 s VAL 66 Ca 0.25 1.03 0.22 0.00 0.00 0.00 0.00 61.98 63.49 1yr0 s VAL 66 Cb -0.04 -4.61 0.43 0.00 0.00 0.00 0.00 36.38 32.15 1yr0 s VAL 66 CO 0.11 -1.14 1.44 0.00 0.00 0.00 0.00 175.10 175.52 1yr0 n ALA 67 N 8.29 2.45 0.00 5.51 0.00 0.34 -4.83 120.51 132.27 1yr0 n ALA 67 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1yr0 n ALA 67 Cb 0.49 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 1.39 2.50 3.37 0.00 0.00 -1.20 -0.46 105.19 110.78 1yr0 n GLY 68 Ca 0.18 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.36 0.09 1.61 -0.85 -0.06 0.24 117.35 116.02 1yr0 s TYR 69 Ca 0.00 0.13 -0.06 0.00 -0.52 0.00 0.00 57.07 56.62 1yr0 s TYR 69 Cb 0.00 0.39 -0.02 0.00 0.38 0.00 0.00 41.96 42.71 1yr0 s TYR 69 CO 0.00 -0.75 0.13 0.00 -1.52 0.00 0.00 175.55 173.40 1yr0 s ALA 70 N -3.61 0.07 -0.09 9.51 0.00 0.12 -0.74 121.76 127.01 1yr0 s ALA 70 Ca 0.01 -0.86 -0.33 0.00 0.00 0.00 0.00 51.96 50.79 1yr0 s ALA 70 Cb 0.00 0.47 0.14 0.00 0.00 0.00 0.00 23.12 23.73 1yr0 s ALA 70 CO -0.11 -0.48 1.35 0.45 0.00 0.00 0.00 175.76 176.97 1yr0 s SER 71 N -2.90 -0.04 0.07 0.00 0.15 -0.56 -1.10 113.70 109.33 1yr0 s SER 71 Ca 0.07 -0.06 -0.08 0.00 0.70 0.00 0.00 55.95 56.59 1yr0 s SER 71 Cb 0.06 0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 1yr0 s SER 71 CO -0.09 -0.16 0.15 -0.72 1.20 0.00 0.00 173.24 173.62 1yr0 s TYR 72 N -2.23 0.18 0.00 3.44 1.13 -1.25 -0.12 117.35 118.49 1yr0 s TYR 72 Ca 0.14 -0.57 0.00 0.00 -1.41 0.00 0.00 57.07 55.23 1yr0 s TYR 72 Cb 0.05 -0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.80 1yr0 s TYR 72 CO -0.05 -0.48 0.00 0.41 -2.51 0.00 0.00 175.55 172.92 1yr0 n GLY 73 N 0.20 3.51 3.73 5.49 0.00 -0.04 -4.54 105.19 113.53 1yr0 n GLY 73 Ca -0.16 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 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 0.37 4.43 -0.23 1.61 1.01 -1.26 -0.82 116.67 121.78 1yr0 s ASP 74 Ca 0.00 2.60 0.04 0.00 0.71 0.00 0.00 52.55 55.90 1yr0 s ASP 74 Cb 0.00 -2.62 -0.19 0.00 1.01 0.00 0.00 42.92 41.12 1yr0 s ASP 74 CO 0.00 -2.12 -0.10 1.87 0.21 0.00 0.00 175.17 175.03 1yr0 n TRP 75 N -2.11 0.15 -3.76 4.23 -0.00 -1.26 -4.30 117.44 110.39 1yr0 n TRP 75 Ca 0.16 0.03 -0.14 0.00 -0.00 0.00 0.00 57.50 57.55 1yr0 n TRP 75 Cb 0.48 -1.02 -0.15 0.00 -0.00 0.00 0.00 31.31 30.63 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 -2.52 0.07 0.00 5.87 0.52 -1.26 -4.99 118.95 116.63 1yr0 s ARG 76 Ca -0.29 0.31 -0.02 0.00 -0.52 0.00 0.00 55.73 55.21 1yr0 s ARG 76 Cb 0.08 -0.17 -0.08 0.00 0.52 0.00 0.00 34.95 35.30 1yr0 s ARG 76 CO 0.66 -0.15 1.64 0.00 0.02 0.00 0.00 175.30 177.46 1yr0 n ALA 77 N 4.10 3.36 -3.00 2.13 0.00 -1.26 -4.73 120.51 121.11 1yr0 n ALA 77 Ca -0.26 -0.51 -0.27 0.00 0.00 0.00 0.00 53.44 52.40 1yr0 n ALA 77 Cb 0.52 -1.90 -0.16 0.00 0.00 0.00 0.00 19.45 17.91 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 1.47 1.86 0.58 0.00 2.99 -1.26 -5.03 117.98 118.59 1yr0 s PHE 78 Ca 0.19 -0.59 0.27 0.00 0.00 0.00 0.00 56.93 56.81 1yr0 s PHE 78 Cb 0.09 -1.26 1.68 0.00 0.00 0.00 0.00 43.02 43.53 1yr0 s PHE 78 CO 0.00 -0.21 2.18 0.22 -0.00 0.00 0.00 175.22 177.40 1yr0 h ASP 79 N 6.38 0.00 0.35 1.36 1.82 -2.02 -0.62 116.42 123.68 1yr0 h ASP 79 Ca -0.31 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1yr0 h ASP 79 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1yr0 h ASP 79 CO 0.48 0.00 0.00 1.23 -1.61 0.00 0.00 179.24 179.34 1yr0 h GLY 80 N 0.00 0.00 -3.36 -0.78 0.00 -1.95 -1.45 103.07 95.53 1yr0 h GLY 80 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1yr0 h GLY 80 CO -0.00 0.00 0.07 -1.72 0.00 0.00 0.00 176.54 174.89 1yr0 n TYR 81 N -2.79 1.99 -0.32 5.60 4.02 -0.24 -4.67 117.16 120.75 1yr0 n TYR 81 Ca -0.01 -0.78 0.18 0.00 -0.01 0.00 0.00 57.90 57.28 1yr0 n TYR 81 Cb 0.14 -0.52 0.36 0.00 -0.02 0.00 0.00 39.34 39.29 1yr0 n TYR 81 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yr0 h ARG 82 N 3.28 0.08 -0.53 -0.72 3.08 -1.40 0.60 114.38 118.77 1yr0 h ARG 82 Ca 0.07 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1yr0 h ARG 82 Cb 1.94 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.97 1yr0 h ARG 82 CO 0.51 0.05 0.00 0.72 -1.07 0.00 0.00 179.97 180.19 1yr0 n HIS 83 N -5.34 0.78 -4.84 3.04 8.25 -1.26 -4.85 115.22 111.01 1yr0 n HIS 83 Ca 0.26 -0.35 -0.33 0.00 -0.26 0.00 0.00 57.72 57.05 1yr0 n HIS 83 Cb 0.85 -0.08 -0.16 0.00 1.12 0.00 0.00 29.99 31.71 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 -1.54 2.28 0.07 1.59 2.01 0.20 0.30 115.64 120.56 1yr0 s THR 84 Ca 0.32 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.45 1yr0 s THR 84 Cb 0.19 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1yr0 s THR 84 CO 0.19 0.54 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.40 1yr0 s ARG 85 N 0.61 0.79 -0.17 4.92 1.81 -0.39 -4.07 118.95 122.45 1yr0 s ARG 85 Ca -0.11 -0.93 -0.06 0.00 -1.72 0.00 0.00 55.73 52.91 1yr0 s ARG 85 Cb -0.16 -0.78 -0.03 0.00 -0.45 0.00 0.00 34.95 33.53 1yr0 s ARG 85 CO 0.03 0.17 0.02 -2.00 -0.68 0.00 0.00 175.30 172.84 1yr0 s GLU 86 N -1.71 3.80 0.25 3.54 2.12 -0.00 -0.36 118.70 126.34 1yr0 s GLU 86 Ca -0.03 -0.42 0.09 0.00 0.36 0.00 0.00 54.97 54.98 1yr0 s GLU 86 Cb -0.10 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 1yr0 s GLU 86 CO 0.02 0.29 0.02 -3.38 -0.54 0.00 0.00 175.26 171.66 1yr0 s HIS 87 N 0.29 2.76 0.00 5.30 -3.43 -0.99 -0.86 115.29 118.35 1yr0 s HIS 87 Ca 0.01 -0.20 0.00 0.00 -0.80 0.00 0.00 55.06 54.07 1yr0 s HIS 87 Cb -0.13 -1.24 -0.00 0.00 -1.43 0.00 0.00 32.58 29.78 1yr0 s HIS 87 CO 0.01 0.60 -0.01 -1.12 -2.00 0.00 0.00 174.74 172.22 1yr0 s SER 88 N -3.60 0.07 -0.03 7.38 0.01 0.82 -4.69 113.70 113.66 1yr0 s SER 88 Ca 0.31 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.56 1yr0 s SER 88 Cb -0.07 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.17 1yr0 s SER 88 CO 0.20 -0.00 -0.06 -0.69 0.41 0.00 0.00 173.24 173.10 1yr0 s VAL 89 N -0.06 0.58 -0.02 3.43 1.01 -1.26 -1.49 120.40 122.58 1yr0 s VAL 89 Ca -0.00 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1yr0 s VAL 89 Cb -0.01 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.81 1yr0 s VAL 89 CO -0.00 0.21 -0.10 -0.31 0.00 0.00 0.00 175.10 174.91 1yr0 s TYR 90 N 0.54 0.94 -0.07 5.22 1.51 0.08 -5.01 117.35 120.56 1yr0 s TYR 90 Ca -0.07 -0.21 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 1yr0 s TYR 90 Cb -0.11 -0.64 -0.01 0.00 -0.11 0.00 0.00 41.96 41.10 1yr0 s TYR 90 CO 0.00 -0.06 -0.23 0.08 -1.11 0.00 0.00 175.55 174.23 1yr0 s VAL 91 N 0.00 1.92 0.24 0.71 1.01 -1.26 -0.88 120.40 122.13 1yr0 s VAL 91 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 61.98 60.69 1yr0 s VAL 91 Cb -0.06 -1.64 -0.13 0.00 0.00 0.00 0.00 36.38 34.54 1yr0 s VAL 91 CO 0.00 0.53 1.40 1.57 0.00 0.00 0.00 175.10 178.60 1yr0 n HIS 92 N 3.18 2.12 -0.40 5.22 -0.00 0.39 -4.84 115.22 120.88 1yr0 n HIS 92 Ca -0.18 0.44 0.32 0.00 0.46 0.00 0.00 57.72 58.77 1yr0 n HIS 92 Cb 0.52 -2.45 0.60 0.00 -0.12 0.00 0.00 29.99 28.54 1yr0 n HIS 92 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1yr0 h LYS 93 N 4.18 0.16 -0.49 1.57 3.64 -1.94 0.12 116.57 123.81 1yr0 h LYS 93 Ca -0.45 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1yr0 h LYS 93 Cb 1.28 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1yr0 h LYS 93 CO 0.75 0.11 0.00 -0.25 -2.27 0.00 0.00 179.45 177.79 1yr0 n ASP 94 N -4.73 3.14 -0.17 4.20 8.00 -1.26 -4.21 116.55 121.52 1yr0 n ASP 94 Ca 0.34 -1.96 0.08 0.00 0.71 0.00 0.00 54.79 53.96 1yr0 n ASP 94 Cb 1.27 -0.32 0.11 0.00 -0.02 0.00 0.00 41.12 42.16 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 1.24 2.24 -1.81 2.24 0.00 0.40 -5.06 120.51 119.75 1yr0 n ALA 95 Ca 0.20 -2.33 -0.32 0.00 0.00 0.00 0.00 53.44 50.99 1yr0 n ALA 95 Cb 0.52 -0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.32 3.69 0.00 0.00 3.00 -1.20 -4.02 118.95 118.10 1yr0 s ARG 96 Ca 0.26 0.92 0.00 0.00 0.00 0.00 0.00 55.73 56.91 1yr0 s ARG 96 Cb 0.23 -2.10 0.00 0.00 0.00 0.00 0.00 34.95 33.08 1yr0 s ARG 96 CO 0.02 -0.49 0.00 0.41 0.00 0.00 0.00 175.30 175.24 1yr0 n GLY 97 N -1.92 0.66 0.01 -3.53 0.00 -1.26 -4.93 105.19 94.22 1yr0 n GLY 97 Ca 0.07 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.65 0.00 -0.06 1.61 8.25 -1.26 -4.99 115.22 116.13 1yr0 n HIS 98 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1yr0 n HIS 98 Cb 0.00 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.78 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 1.60 0.97 0.31 -1.41 0.00 -1.26 -4.98 105.19 100.42 1yr0 n GLY 99 Ca -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 1.26 -0.31 -0.61 2.04 -1.94 -2.61 117.51 115.34 1yr0 h ILE 100 Ca 0.00 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 64.99 1yr0 h ILE 100 Cb 0.00 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 1yr0 h ILE 100 CO 0.00 0.35 0.02 1.23 0.00 0.00 0.00 178.15 179.76 1yr0 h GLY 101 N 1.02 0.32 1.19 5.37 0.00 -1.93 -0.18 103.07 108.85 1yr0 h GLY 101 Ca 0.22 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 1yr0 h GLY 101 CO -0.00 -0.05 0.14 1.70 0.00 0.00 0.00 176.54 178.33 1yr0 h LYS 102 N 0.12 1.01 -0.43 4.80 3.64 -1.93 -2.82 116.57 120.96 1yr0 h LYS 102 Ca 0.15 -0.23 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1yr0 h LYS 102 Cb 0.19 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1yr0 h LYS 102 CO -0.23 0.90 -0.08 0.00 -2.27 0.00 0.00 179.45 177.77 1yr0 h ARG 103 N 0.96 0.74 -0.66 1.90 3.08 -1.04 -1.48 114.38 117.89 1yr0 h ARG 103 Ca 0.20 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1yr0 h ARG 103 Cb 0.36 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1yr0 h ARG 103 CO 0.00 0.81 0.00 1.28 -1.07 0.00 0.00 179.97 180.99 1yr0 n LEU 104 N -4.18 0.61 0.00 3.04 4.77 -0.13 -2.10 117.00 119.01 1yr0 n LEU 104 Ca 0.02 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1yr0 n LEU 104 Cb 0.34 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1yr0 n LEU 104 CO 0.42 0.13 0.00 1.67 -1.33 0.00 0.00 177.39 178.28 1yr0 n GLN 106 N 0.38 0.00 -0.25 3.23 -0.06 -0.56 -2.03 117.38 118.10 1yr0 n GLN 106 Ca 0.00 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 55.03 1yr0 n GLN 106 Cb 0.13 0.00 0.26 0.00 -4.06 0.00 0.00 30.24 26.57 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 1.53 -0.20 1.69 0.00 -1.68 -0.89 119.26 119.70 1yr0 h ALA 107 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1yr0 h ALA 107 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1yr0 h ALA 107 CO 0.00 0.38 -0.52 -0.07 0.00 0.00 0.00 179.25 179.04 1yr0 h LEU 108 N 0.98 0.63 -0.40 0.00 3.38 -1.70 -1.94 115.31 116.26 1yr0 h LEU 108 Ca 0.33 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1yr0 h LEU 108 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1yr0 h LEU 108 CO -0.10 1.04 0.16 0.40 0.09 0.00 0.00 178.44 180.02 1yr0 h ILE 109 N 0.44 1.20 -0.64 1.22 2.04 -1.59 0.13 117.51 120.31 1yr0 h ILE 109 Ca 0.01 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 1yr0 h ILE 109 Cb 1.06 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1yr0 h ILE 109 CO 0.10 0.22 0.18 0.44 0.00 0.00 0.00 178.15 179.08 1yr0 h ASP 110 N 0.50 0.95 -0.27 1.72 3.32 -1.12 0.11 116.42 121.61 1yr0 h ASP 110 Ca 0.13 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1yr0 h ASP 110 Cb 0.19 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1yr0 h ASP 110 CO -0.01 0.92 0.00 -0.74 -1.72 0.00 0.00 179.24 177.69 1yr0 h HIS 111 N 0.93 0.53 -0.80 4.55 2.76 -1.12 -2.67 115.15 119.32 1yr0 h HIS 111 Ca 0.20 -0.09 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1yr0 h HIS 111 Cb 0.33 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 1yr0 h HIS 111 CO 0.02 0.63 0.31 0.00 -1.30 0.00 0.00 177.93 177.59 1yr0 h ALA 112 N 0.83 1.04 -0.16 5.26 0.00 -0.55 0.02 119.26 125.69 1yr0 h ALA 112 Ca 0.08 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1yr0 h ALA 112 Cb 0.42 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1yr0 h ALA 112 CO 0.01 0.67 0.14 0.78 0.00 0.00 0.00 179.25 180.86 1yr0 h GLY 113 N 1.16 0.00 -0.65 0.00 0.00 -0.58 -0.85 103.07 102.16 1yr0 h GLY 113 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1yr0 h GLY 113 CO -0.02 0.00 -0.51 0.61 0.00 0.00 0.00 176.54 176.62 1yr0 n GLY 114 N -1.47 -0.17 1.83 4.60 0.00 -0.81 -4.42 105.19 104.76 1yr0 n GLY 114 Ca 0.01 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.40 3.76 -3.05 1.61 5.15 -0.07 -4.91 115.26 117.34 1yr0 n ASN 115 Ca 0.07 -3.71 -0.21 0.00 -0.60 0.00 0.00 54.58 50.13 1yr0 n ASN 115 Cb 0.37 -0.76 0.05 0.00 -0.53 0.00 0.00 39.78 38.92 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 -1.10 -5.87 -4.61 1.20 2.03 -1.21 -4.98 116.55 102.01 1yr0 n ASP 116 Ca 0.50 -0.39 -0.37 0.00 0.52 0.00 0.00 54.79 55.05 1yr0 n ASP 116 Cb 1.29 -4.58 -0.10 0.00 -0.72 0.00 0.00 41.12 37.00 1yr0 n ASP 116 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1yr0 s VAL 117 N -3.21 5.19 -0.12 5.18 1.01 -0.64 -4.59 120.40 123.21 1yr0 s VAL 117 Ca 0.42 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.58 1yr0 s VAL 117 Cb -0.18 -3.43 -0.24 0.00 0.00 0.00 0.00 36.38 32.53 1yr0 s VAL 117 CO 0.52 0.32 0.36 1.57 0.00 0.00 0.00 175.10 177.86 1yr0 n HIS 118 N 4.56 0.79 -3.98 5.22 -0.00 0.15 -4.53 115.22 117.43 1yr0 n HIS 118 Ca -0.15 0.23 -0.14 0.00 0.46 0.00 0.00 57.72 58.12 1yr0 n HIS 118 Cb 0.52 -1.12 -0.14 0.00 -0.12 0.00 0.00 29.99 29.12 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 -2.56 0.17 -0.12 3.57 1.01 -0.35 -0.34 120.40 121.78 1yr0 s VAL 119 Ca -0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1yr0 s VAL 119 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 1yr0 s VAL 119 CO 0.78 0.06 -0.08 -0.76 0.00 0.00 0.00 175.10 175.10 1yr0 s LEU 120 N 0.09 3.01 -0.06 3.92 1.43 0.15 -1.26 118.68 125.96 1yr0 s LEU 120 Ca -0.01 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1yr0 s LEU 120 Cb -0.02 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1yr0 s LEU 120 CO -0.00 0.22 -0.19 -0.63 0.23 0.00 0.00 176.35 175.98 1yr0 s ILE 121 N 0.04 2.64 -0.05 -0.59 -1.09 0.51 -0.69 121.20 121.97 1yr0 s ILE 121 Ca -0.02 -0.86 0.05 0.00 -2.23 0.00 0.00 60.65 57.59 1yr0 s ILE 121 Cb -0.14 -2.02 -0.02 0.00 -1.58 0.00 0.00 42.46 38.71 1yr0 s ILE 121 CO 0.03 0.57 -0.20 0.00 -1.23 0.00 0.00 174.94 174.11 1yr0 s ALA 122 N -0.37 2.39 -0.42 9.38 0.00 -1.26 -2.35 121.76 129.13 1yr0 s ALA 122 Ca 0.03 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1yr0 s ALA 122 Cb -0.12 -0.80 0.11 0.00 0.00 0.00 0.00 23.12 22.31 1yr0 s ALA 122 CO 0.02 0.48 0.18 0.00 0.00 0.00 0.00 175.76 176.44 1yr0 s ALA 123 N -0.44 3.13 -0.08 0.00 0.00 -1.26 -4.26 121.76 118.84 1yr0 s ALA 123 Ca 0.05 -2.72 0.01 0.00 0.00 0.00 0.00 51.96 49.30 1yr0 s ALA 123 Cb -0.12 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 1yr0 s ALA 123 CO 0.01 -1.82 -0.09 0.42 0.00 0.00 0.00 175.76 174.28 1yr0 s ILE 124 N 0.72 3.48 0.12 0.00 1.09 -0.09 -4.96 121.20 121.56 1yr0 s ILE 124 Ca 0.11 -0.55 -0.31 0.00 -1.10 0.00 0.00 60.65 58.80 1yr0 s ILE 124 Cb -0.21 -2.42 -0.10 0.00 -1.06 0.00 0.00 42.46 38.66 1yr0 s ILE 124 CO -0.05 0.58 1.84 -0.70 -0.10 0.00 0.00 174.94 176.51 1yr0 s GLU 125 N -0.57 4.14 0.46 2.79 -6.30 -1.26 -0.30 118.70 117.66 1yr0 s GLU 125 Ca 0.08 2.60 0.34 0.00 -2.50 0.00 0.00 54.97 55.49 1yr0 s GLU 125 Cb -0.12 -3.61 1.50 0.00 0.00 0.00 0.00 34.13 31.91 1yr0 s GLU 125 CO 0.02 -0.85 1.61 0.00 0.02 0.00 0.00 175.26 176.06 1yr0 h ALA 126 N 8.65 2.95 -0.04 6.30 0.00 -1.62 0.14 119.26 135.63 1yr0 h ALA 126 Ca -0.46 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1yr0 h ALA 126 Cb 1.22 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1yr0 h ALA 126 CO 0.95 -1.58 0.00 0.39 0.00 0.00 0.00 179.25 179.00 1yr0 n GLU 127 N -4.58 1.59 -2.11 0.00 -0.58 -1.26 -4.56 120.64 109.13 1yr0 n GLU 127 Ca 0.39 -0.86 -0.42 0.00 -0.42 0.00 0.00 57.16 55.85 1yr0 n GLU 127 Cb 1.56 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.97 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 0.05 4.51 -0.24 1.62 2.85 0.47 -4.77 115.26 119.76 1yr0 n ASN 128 Ca 0.19 -2.96 0.04 0.00 -0.11 0.00 0.00 54.58 51.74 1yr0 n ASN 128 Cb 0.32 -1.59 0.16 0.00 1.24 0.00 0.00 39.78 39.91 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 4.08 0.68 -0.23 -0.44 2.02 -1.85 -1.96 112.91 115.21 1yr0 h THR 129 Ca 0.48 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.57 1yr0 h THR 129 Cb 0.67 0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 1yr0 h THR 129 CO 1.71 0.08 -0.20 0.00 0.37 0.00 0.00 175.52 177.47 1yr0 h ALA 130 N 1.51 -0.07 -0.36 6.16 0.00 -1.99 0.11 119.26 124.62 1yr0 h ALA 130 Ca 0.38 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1yr0 h ALA 130 Cb 0.56 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1yr0 h ALA 130 CO -0.38 -0.63 0.20 1.03 0.00 0.00 0.00 179.25 179.47 1yr0 h SER 131 N -0.21 0.46 -0.30 0.00 0.87 -1.84 -0.48 113.55 112.05 1yr0 h SER 131 Ca 0.13 -0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.66 1yr0 h SER 131 Cb 0.41 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 1yr0 h SER 131 CO -0.35 0.42 -0.08 0.40 -0.53 0.00 0.00 176.83 176.68 1yr0 h ILE 132 N 0.46 0.69 -0.64 2.23 2.04 -0.65 -0.13 117.51 121.51 1yr0 h ILE 132 Ca 0.13 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.02 1yr0 h ILE 132 Cb 0.06 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1yr0 h ILE 132 CO -0.02 0.00 0.39 0.03 0.00 0.00 0.00 178.15 178.55 1yr0 h ARG 133 N -0.01 0.75 -0.28 2.37 2.47 -0.57 -0.95 114.38 118.16 1yr0 h ARG 133 Ca 0.15 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.87 1yr0 h ARG 133 Cb 0.23 -0.17 -0.05 0.00 -1.65 0.00 0.00 29.97 28.34 1yr0 h ARG 133 CO -0.31 0.49 -0.01 1.25 0.56 0.00 0.00 179.97 181.95 1yr0 h LEU 134 N 0.77 -0.13 -0.92 3.04 5.85 0.14 -0.32 115.31 123.74 1yr0 h LEU 134 Ca 0.26 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 1yr0 h LEU 134 Cb 0.03 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1yr0 h LEU 134 CO -0.11 -0.03 0.18 0.45 -0.34 0.00 0.00 178.44 178.59 1yr0 h HIS 135 N 0.07 1.01 -0.17 1.25 3.86 -0.67 -2.70 115.15 117.79 1yr0 h HIS 135 Ca 0.14 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 1yr0 h HIS 135 Cb 0.18 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1yr0 h HIS 135 CO -0.22 0.81 -0.23 0.93 0.86 0.00 0.00 177.93 180.08 1yr0 h GLU 136 N 0.94 0.30 0.00 2.45 5.08 -0.49 -1.50 114.58 121.37 1yr0 h GLU 136 Ca 0.21 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1yr0 h GLU 136 Cb 0.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1yr0 h GLU 136 CO -0.01 0.52 0.00 -1.13 -1.00 0.00 0.00 179.01 177.40 1yr0 n SER 137 N -4.16 0.09 -0.73 1.42 3.41 -0.19 -2.17 113.62 111.27 1yr0 n SER 137 Ca -0.01 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.20 1yr0 n SER 137 Cb 0.36 -0.54 0.21 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.60 3.44 0.00 1.04 4.77 -0.64 -4.97 117.00 119.04 1yr0 n LEU 138 Ca 0.03 -2.68 0.00 0.00 -0.03 0.00 0.00 56.01 53.33 1yr0 n LEU 138 Cb 0.16 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1yr0 n LEU 138 CO 0.13 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1yr0 n GLY 139 N -0.27 0.79 3.76 -0.72 0.00 -0.92 -5.05 105.19 102.78 1yr0 n GLY 139 Ca 0.17 0.00 -0.41 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 -2.49 3.01 -0.08 1.61 0.40 -0.72 -4.83 117.98 114.88 1yr0 s PHE 140 Ca 0.00 1.31 -0.00 0.00 -0.60 0.00 0.00 56.93 57.63 1yr0 s PHE 140 Cb 0.00 -3.74 -0.03 0.00 0.51 0.00 0.00 43.02 39.76 1yr0 s PHE 140 CO 0.00 -2.13 -0.04 0.50 0.70 0.00 0.00 175.22 174.25 1yr0 s ARG 141 N -1.46 2.85 -0.08 0.44 3.52 -0.31 -4.35 118.95 119.57 1yr0 s ARG 141 Ca 0.52 -0.49 -0.30 0.00 -0.13 0.00 0.00 55.73 55.33 1yr0 s ARG 141 Cb -0.41 -2.67 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1yr0 s ARG 141 CO 0.51 0.67 1.24 0.08 -0.81 0.00 0.00 175.30 177.00 1yr0 s VAL 142 N -0.82 4.20 -0.16 7.11 1.01 -1.26 -0.87 120.40 129.60 1yr0 s VAL 142 Ca 0.12 1.51 -0.23 0.00 0.00 0.00 0.00 61.98 63.39 1yr0 s VAL 142 Cb -0.11 -3.97 -0.20 0.00 0.00 0.00 0.00 36.38 32.09 1yr0 s VAL 142 CO 0.02 -0.04 0.45 0.58 0.00 0.00 0.00 175.10 176.11 1yr0 h VAL 143 N 5.15 1.23 0.00 2.92 2.07 -0.84 -3.48 116.25 123.30 1yr0 h VAL 143 Ca -0.32 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1yr0 h VAL 143 Cb 1.15 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1yr0 h VAL 143 CO 0.91 0.42 0.00 0.61 0.02 0.00 0.00 177.57 179.53 1yr0 n GLY 144 N 1.55 -0.45 3.04 2.17 0.00 -1.12 -5.01 105.19 105.38 1yr0 n GLY 144 Ca -0.18 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 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 2.44 0.02 1.61 3.52 -1.26 -0.60 118.95 122.67 1yr0 s ARG 145 Ca 0.00 -0.63 -0.24 0.00 -0.13 0.00 0.00 55.73 54.74 1yr0 s ARG 145 Cb 0.00 -2.21 -0.05 0.00 -1.56 0.00 0.00 34.95 31.12 1yr0 s ARG 145 CO 0.00 -0.24 0.71 -0.06 -0.81 0.00 0.00 175.30 174.91 1yr0 s PHE 146 N 1.44 3.70 -0.24 5.12 0.40 0.69 -4.91 117.98 124.18 1yr0 s PHE 146 Ca 0.05 1.37 -0.19 0.00 -0.60 0.00 0.00 56.93 57.56 1yr0 s PHE 146 Cb -0.13 -2.77 -0.03 0.00 0.51 0.00 0.00 43.02 40.61 1yr0 s PHE 146 CO -0.11 0.26 0.55 0.45 0.70 0.00 0.00 175.22 177.07 1yr0 s SER 147 N 0.04 6.52 -1.63 1.36 0.15 -1.26 -1.15 113.70 117.73 1yr0 s SER 147 Ca 0.37 0.63 -0.16 0.00 0.70 0.00 0.00 55.95 57.49 1yr0 s SER 147 Cb -0.19 -2.30 0.12 0.00 -1.71 0.00 0.00 66.02 61.94 1yr0 s SER 147 CO 0.21 -0.28 0.81 -0.62 1.20 0.00 0.00 173.24 174.56 1yr0 n GLU 148 N 5.36 -3.86 0.00 5.44 1.02 -1.15 -4.84 120.64 122.60 1yr0 n GLU 148 Ca -0.03 0.44 0.14 0.00 -0.02 0.00 0.00 57.16 57.69 1yr0 n GLU 148 Cb 0.50 -5.16 0.55 0.00 -0.02 0.00 0.00 31.44 27.30 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 -4.47 0.00 -4.31 2.62 0.24 -0.88 -4.73 118.33 106.80 1yr0 n VAL 149 Ca 0.03 -0.03 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 1yr0 n VAL 149 Cb 0.52 -0.15 -0.10 0.00 -1.47 0.00 0.00 33.84 32.63 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 -2.72 1.61 -0.10 7.63 0.00 -0.99 -4.99 107.32 107.76 1yr0 s GLY 150 Ca 0.22 -1.80 -0.07 0.00 0.00 0.00 0.00 44.72 43.07 1yr0 s GLY 150 CO 0.53 -1.60 0.25 -1.08 0.00 0.00 0.00 173.10 171.20 1yr0 s THR 151 N -3.66 -0.02 -0.14 0.90 -1.32 -1.26 -0.08 115.64 110.06 1yr0 s THR 151 Ca 0.33 0.09 -0.29 0.00 -1.21 0.00 0.00 61.69 60.62 1yr0 s THR 151 Cb 0.07 -0.38 0.07 0.00 -1.51 0.00 0.00 72.50 70.76 1yr0 s THR 151 CO 0.11 0.04 0.71 -0.75 -2.21 0.00 0.00 174.62 172.52 1yr0 s LYS 152 N 0.84 0.95 -1.76 7.08 2.20 -0.60 -4.89 119.74 123.56 1yr0 s LYS 152 Ca -0.06 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 1yr0 s LYS 152 Cb -0.07 0.45 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 1yr0 s LYS 152 CO -0.05 -0.24 0.00 1.19 -0.36 0.00 0.00 175.35 175.89 1yr0 n PHE 153 N 1.57 -0.27 -0.71 4.03 3.72 -1.26 -2.14 117.46 122.40 1yr0 n PHE 153 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1yr0 n PHE 153 Cb 0.56 -3.19 0.00 0.00 -0.94 0.00 0.00 39.48 35.92 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 -0.87 0.62 3.24 1.37 0.00 -1.26 -5.05 105.19 103.23 1yr0 n GLY 154 Ca -0.19 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.68 0.92 0.47 1.61 1.04 -0.91 -5.15 118.95 116.25 1yr0 s ARG 155 Ca 0.00 -0.95 -0.23 0.00 -1.04 0.00 0.00 55.73 53.51 1yr0 s ARG 155 Cb 0.00 0.37 -0.07 0.00 -2.04 0.00 0.00 34.95 33.20 1yr0 s ARG 155 CO 0.00 -0.31 1.17 -1.58 -0.04 0.00 0.00 175.30 174.53 1yr0 s TRP 156 N -3.87 2.85 0.07 5.89 0.52 -1.26 -1.56 118.94 121.58 1yr0 s TRP 156 Ca 0.06 1.53 0.07 0.00 0.02 0.00 0.00 56.10 57.79 1yr0 s TRP 156 Cb 0.04 -3.38 -0.03 0.00 -1.15 0.00 0.00 33.47 28.96 1yr0 s TRP 156 CO -0.10 -1.53 -0.19 -0.51 0.02 0.00 0.00 176.95 174.65 1yr0 s LEU 157 N -3.09 2.23 0.13 2.99 1.43 0.88 -4.89 118.68 118.36 1yr0 s LEU 157 Ca 0.64 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1yr0 s LEU 157 Cb -0.28 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 1yr0 s LEU 157 CO 0.34 0.07 0.24 -1.81 0.23 0.00 0.00 176.35 175.42 1yr0 s ASP 158 N -1.50 6.19 -0.26 2.29 1.11 -1.26 -2.07 116.67 121.18 1yr0 s ASP 158 Ca 0.05 0.14 0.02 0.00 0.18 0.00 0.00 52.55 52.94 1yr0 s ASP 158 Cb -0.09 -1.83 0.07 0.00 1.07 0.00 0.00 42.92 42.13 1yr0 s ASP 158 CO 0.03 0.08 -0.06 -0.22 1.18 0.00 0.00 175.17 176.18 1yr0 s LEU 159 N -3.04 3.15 -0.21 1.23 2.96 -0.30 -1.58 118.68 120.88 1yr0 s LEU 159 Ca 0.34 -1.39 -0.17 0.00 -0.22 0.00 0.00 54.13 52.68 1yr0 s LEU 159 Cb -0.11 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 1yr0 s LEU 159 CO 0.27 -0.24 0.46 -0.89 -1.32 0.00 0.00 176.35 174.63 1yr0 s THR 160 N 1.23 5.14 0.52 3.68 2.01 0.59 -0.22 115.64 128.59 1yr0 s THR 160 Ca -0.05 0.83 0.07 0.00 0.31 0.00 0.00 61.69 62.85 1yr0 s THR 160 Cb -0.19 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.57 1yr0 s THR 160 CO -0.07 0.20 0.50 0.00 -0.69 0.00 0.00 174.62 174.56 1yr0 s GLU 163 N -4.34 0.53 -0.13 0.00 -1.05 -0.05 -0.03 118.70 113.64 1yr0 s GLU 163 Ca 0.44 0.06 -0.04 0.00 -0.15 0.00 0.00 54.97 55.29 1yr0 s GLU 163 Cb -0.03 0.25 0.05 0.00 -0.44 0.00 0.00 34.13 33.95 1yr0 s GLU 163 CO 0.27 -0.18 0.07 -1.17 0.95 0.00 0.00 175.26 175.20 1yr0 s LEU 164 N -1.32 0.42 -0.00 1.83 2.96 0.14 -1.16 118.68 121.55 1yr0 s LEU 164 Ca 0.01 -0.39 -0.20 0.00 -0.22 0.00 0.00 54.13 53.32 1yr0 s LEU 164 Cb -0.01 -0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.35 1yr0 s LEU 164 CO -0.01 -0.30 0.59 -0.75 -1.32 0.00 0.00 176.35 174.55 1yr0 s LYS 165 N 2.10 4.30 0.00 1.98 2.20 -1.26 -0.68 119.74 128.38 1yr0 s LYS 165 Ca 0.03 0.72 0.26 0.00 -0.36 0.00 0.00 55.97 56.62 1yr0 s LYS 165 Cb -0.15 -3.33 0.59 0.00 -1.51 0.00 0.00 37.83 33.42 1yr0 s LYS 165 CO -0.07 0.39 1.48 1.28 -0.36 0.00 0.00 175.35 178.07