#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey n ASP 3 N 0.00 -2.26 -0.71 0.00 2.03 -1.26 -4.83 116.55 109.52 1cey n ASP 3 Ca 0.00 0.72 0.07 0.00 0.52 0.00 0.00 54.79 56.10 1cey n ASP 3 Cb 0.00 -1.01 0.20 0.00 -0.72 0.00 0.00 41.12 39.59 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cey n LYS 4 N 0.73 1.89 -2.70 -0.67 4.76 -1.26 -4.30 118.16 116.61 1cey n LYS 4 Ca 0.10 -1.39 -0.09 0.00 -2.87 0.00 0.00 58.31 54.07 1cey n LYS 4 Cb 0.46 -1.32 0.06 0.00 -1.84 0.00 0.00 35.03 32.40 1cey n LYS 4 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1cey n GLU 5 N 0.62 1.15 -2.54 1.97 0.28 -1.26 -3.73 120.64 117.13 1cey n GLU 5 Ca 0.14 -2.67 -0.43 0.00 -0.16 0.00 0.00 57.16 54.03 1cey n GLU 5 Cb 0.34 -0.80 -0.02 0.00 1.43 0.00 0.00 31.44 32.38 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1cey s LEU 6 N -3.09 3.67 -0.30 -1.84 2.96 -1.26 -4.94 118.68 113.89 1cey s LEU 6 Ca 0.26 0.65 -0.39 0.00 -0.22 0.00 0.00 54.13 54.42 1cey s LEU 6 Cb 0.43 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 43.42 1cey s LEU 6 CO -0.02 -1.24 1.84 0.29 -1.32 0.00 0.00 176.35 175.90 1cey n LYS 7 N 7.75 1.13 -4.23 1.98 5.02 -1.26 -4.81 118.16 123.74 1cey n LYS 7 Ca 0.13 0.40 -0.29 0.00 -2.02 0.00 0.00 58.31 56.53 1cey n LYS 7 Cb 0.48 -2.15 -0.09 0.00 -0.02 0.00 0.00 35.03 33.25 1cey n LYS 7 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1cey s PHE 8 N 4.25 2.75 -0.26 2.13 0.40 -1.06 -1.43 117.98 124.76 1cey s PHE 8 Ca 1.01 -0.16 0.02 0.00 -0.60 0.00 0.00 56.93 57.20 1cey s PHE 8 Cb -1.05 -1.41 0.07 0.00 0.51 0.00 0.00 43.02 41.14 1cey s PHE 8 CO 0.63 0.46 -0.05 -1.17 0.70 0.00 0.00 175.22 175.79 1cey s LEU 9 N -2.42 3.07 -0.44 -0.37 2.96 -0.65 -2.04 118.68 118.81 1cey s LEU 9 Ca 0.23 -1.39 -0.21 0.00 -0.22 0.00 0.00 54.13 52.54 1cey s LEU 9 Cb -0.10 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.29 1cey s LEU 9 CO 0.15 -0.25 0.68 -0.69 -1.32 0.00 0.00 176.35 174.92 1cey s VAL 10 N 1.26 4.79 -0.23 1.68 1.01 -1.05 -0.87 120.40 126.99 1cey s VAL 10 Ca -0.04 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1cey s VAL 10 Cb -0.19 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 31.97 1cey s VAL 10 CO -0.07 -0.62 -0.08 -0.69 0.00 0.00 0.00 175.10 173.64 1cey s VAL 11 N 2.93 2.93 0.10 2.92 1.01 -1.11 -2.48 120.40 126.70 1cey s VAL 11 Ca 0.24 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 1cey s VAL 11 Cb -0.14 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1cey s VAL 11 CO 0.20 0.35 0.40 -1.81 0.00 0.00 0.00 175.10 174.24 1cey s ASP 12 N 1.38 -0.25 0.00 3.32 1.11 -1.24 -2.48 116.67 118.52 1cey s ASP 12 Ca 0.03 -0.24 0.16 0.00 0.18 0.00 0.00 52.55 52.69 1cey s ASP 12 Cb -0.15 0.46 0.34 0.00 1.07 0.00 0.00 42.92 44.64 1cey s ASP 12 CO -0.06 -0.81 1.25 -0.67 1.18 0.00 0.00 175.17 176.07 1cey n ASP 13 N -0.04 3.01 0.18 0.27 2.03 -1.26 -4.36 116.55 116.38 1cey n ASP 13 Ca -0.17 -1.89 0.09 0.00 0.52 0.00 0.00 54.79 53.35 1cey n ASP 13 Cb 0.63 -0.22 0.11 0.00 -0.72 0.00 0.00 41.12 40.92 1cey n ASP 13 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1cey h PHE 14 N 3.04 0.00 0.00 -0.67 0.04 -1.97 -3.47 116.94 113.91 1cey h PHE 14 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1cey h PHE 14 Cb 0.78 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1cey h PHE 14 CO 0.22 0.16 0.00 -1.13 -0.60 0.00 0.00 178.31 176.96 1cey n SER 15 N -3.10 0.00 -0.92 2.17 3.41 -1.26 -4.35 113.62 109.57 1cey n SER 15 Ca 0.03 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.76 1cey n SER 15 Cb 0.60 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.74 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1cey n THR 16 N 0.00 0.11 0.14 6.66 5.66 -1.26 -4.11 114.28 121.48 1cey n THR 16 Ca 0.00 -0.51 0.02 0.00 -3.05 0.00 0.00 64.05 60.51 1cey n THR 16 Cb 0.00 1.21 0.02 0.00 -1.55 0.00 0.00 70.33 70.01 1cey n THR 16 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 1cey h MET 17 N 4.23 0.00 -0.24 1.09 -1.53 -1.96 -3.29 114.93 113.23 1cey h MET 17 Ca 0.00 0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.21 1cey h MET 17 Cb 0.91 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.95 1cey h MET 17 CO 0.00 0.51 -0.03 0.00 0.14 0.00 0.00 176.91 177.53 1cey h ARG 18 N 0.00 0.45 -0.03 0.39 3.08 -1.95 -2.45 114.38 113.88 1cey h ARG 18 Ca -0.01 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.89 1cey h ARG 18 Cb 1.40 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.41 1cey h ARG 18 CO 0.07 0.65 0.08 -0.09 -1.07 0.00 0.00 179.97 179.61 1cey h ARG 19 N 0.21 0.00 0.11 0.04 1.12 -1.81 -0.63 114.38 113.42 1cey h ARG 19 Ca 0.07 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.93 1cey h ARG 19 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.43 1cey h ARG 19 CO 0.02 0.00 -0.05 0.82 -3.11 0.00 0.00 179.97 177.64 1cey h ILE 20 N 0.00 0.73 0.00 1.20 5.03 -1.54 -3.24 117.51 119.69 1cey h ILE 20 Ca 0.01 -1.28 0.00 0.00 -0.12 0.00 0.00 64.86 63.47 1cey h ILE 20 Cb 0.17 1.31 0.00 0.00 -3.03 0.00 0.00 36.82 35.26 1cey h ILE 20 CO -0.00 0.22 0.00 0.52 -0.68 0.00 0.00 178.15 178.21 1cey n VAL 21 N -4.85 0.91 0.13 1.67 0.31 -0.97 -2.50 118.33 113.03 1cey n VAL 21 Ca -0.06 0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 64.44 1cey n VAL 21 Cb 0.23 -1.22 -0.08 0.00 -0.91 0.00 0.00 33.84 31.86 1cey n VAL 21 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1cey h ARG 22 N 0.00 -0.32 0.38 5.55 3.08 -1.15 -1.68 114.38 120.23 1cey h ARG 22 Ca 0.00 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1cey h ARG 22 Cb 0.29 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1cey h ARG 22 CO 0.00 -0.03 -0.18 -0.97 -1.07 0.00 0.00 179.97 177.72 1cey h ASN 23 N -0.62 -0.43 -0.91 7.04 -1.24 -1.59 -1.23 115.58 116.59 1cey h ASN 23 Ca -0.03 -0.13 0.20 0.00 0.71 0.00 0.00 56.30 57.04 1cey h ASN 23 Cb 0.44 0.11 -0.17 0.00 0.73 0.00 0.00 38.32 39.43 1cey h ASN 23 CO 0.06 -0.07 -0.17 0.25 -1.29 0.00 0.00 177.43 176.21 1cey h LEU 24 N -0.84 -0.75 -0.48 0.34 6.46 -1.55 1.03 115.31 119.52 1cey h LEU 24 Ca -0.05 0.27 -0.10 0.00 -0.12 0.00 0.00 57.88 57.88 1cey h LEU 24 Cb 0.54 0.54 -0.02 0.00 -0.73 0.00 0.00 40.66 40.99 1cey h LEU 24 CO 0.09 -0.30 -0.08 -0.07 -0.62 0.00 0.00 178.44 177.45 1cey h LEU 25 N 0.01 0.89 -1.31 2.25 3.38 -1.25 -2.60 115.31 116.68 1cey h LEU 25 Ca 0.46 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1cey h LEU 25 Cb 0.76 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1cey h LEU 25 CO -0.92 1.03 0.53 0.50 0.09 0.00 0.00 178.44 179.67 1cey h LYS 26 N 0.74 0.76 0.00 1.13 3.64 0.21 0.37 116.57 123.43 1cey h LYS 26 Ca 0.12 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1cey h LYS 26 Cb 0.62 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1cey h LYS 26 CO 0.04 0.50 0.00 0.93 -2.27 0.00 0.00 179.45 178.65 1cey h GLU 27 N 0.79 0.00 -0.38 1.90 5.08 0.07 0.66 114.58 122.70 1cey h GLU 27 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1cey h GLU 27 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1cey h GLU 27 CO -0.14 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.15 1cey n LEU 28 N -2.47 3.33 -0.95 1.33 4.77 0.13 -4.96 117.00 118.19 1cey n LEU 28 Ca -0.01 -1.54 -0.00 0.00 -0.03 0.00 0.00 56.01 54.42 1cey n LEU 28 Cb 0.08 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1cey n LEU 28 CO 0.14 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1cey n GLY 29 N 1.34 0.54 2.99 -0.72 0.00 0.22 -4.88 105.19 104.68 1cey n GLY 29 Ca 0.18 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 1cey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cey s PHE 30 N -3.01 1.80 -0.45 1.61 0.08 -1.15 -4.01 117.98 112.85 1cey s PHE 30 Ca 0.00 -0.91 0.09 0.00 0.12 0.00 0.00 56.93 56.23 1cey s PHE 30 Cb -0.00 -1.37 0.30 0.00 -0.57 0.00 0.00 43.02 41.38 1cey s PHE 30 CO 0.02 -0.53 0.70 0.27 -0.10 0.00 0.00 175.22 175.58 1cey n ASN 31 N 4.61 1.66 -2.87 1.36 2.04 -1.25 -3.96 115.26 116.85 1cey n ASN 31 Ca -0.16 -3.09 0.02 0.00 -0.44 0.00 0.00 54.58 50.91 1cey n ASN 31 Cb 0.50 -0.62 0.00 0.00 -2.53 0.00 0.00 39.78 37.13 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1cey s ASN 32 N -2.22 -0.60 0.35 0.53 2.47 -1.26 -5.05 114.94 109.16 1cey s ASN 32 Ca 0.40 -0.29 0.03 0.00 0.42 0.00 0.00 52.86 53.42 1cey s ASN 32 Cb 0.25 0.78 -0.01 0.00 -1.45 0.00 0.00 41.25 40.83 1cey s ASN 32 CO -0.09 -0.07 0.39 1.33 -3.72 0.00 0.00 177.10 174.94 1cey n VAL 33 N 3.89 0.00 -3.93 -5.21 0.24 -1.26 -2.56 118.33 109.50 1cey n VAL 33 Ca 0.07 -2.15 0.00 0.00 -2.04 0.00 0.00 64.34 60.21 1cey n VAL 33 Cb 0.62 1.18 0.00 0.00 -1.47 0.00 0.00 33.84 34.17 1cey n VAL 33 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1cey n GLU 34 N -0.62 0.27 -3.81 7.34 1.02 -0.86 -4.95 120.64 119.02 1cey n GLU 34 Ca 0.04 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 1cey n GLU 34 Cb 0.61 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.92 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1cey s GLU 35 N -1.78 0.38 0.03 3.49 8.01 -1.26 -2.53 118.70 125.04 1cey s GLU 35 Ca 0.00 0.05 0.00 0.00 0.01 0.00 0.00 54.97 55.03 1cey s GLU 35 Cb 0.00 0.17 -0.00 0.00 -4.31 0.00 0.00 34.13 29.99 1cey s GLU 35 CO 0.00 -0.08 0.02 0.00 0.01 0.00 0.00 175.26 175.21 1cey n ALA 36 N 2.30 0.05 -1.11 5.21 0.00 -1.04 -4.98 120.51 120.94 1cey n ALA 36 Ca -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1cey n ALA 36 Cb 0.57 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1cey n ALA 36 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1cey n GLU 37 N -0.05 0.00 0.00 0.00 0.28 -1.26 -3.70 120.64 115.91 1cey n GLU 37 Ca 0.00 -0.47 0.00 0.00 -0.16 0.00 0.00 57.16 56.53 1cey n GLU 37 Cb 0.04 -0.46 0.00 0.00 1.43 0.00 0.00 31.44 32.46 1cey n GLU 37 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1cey n ASP 38 N 0.00 0.00 -0.29 -1.84 2.03 -1.26 -4.76 116.55 110.43 1cey n ASP 38 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 1cey n ASP 38 Cb 0.51 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.19 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1cey h GLY 39 N 0.00 1.36 1.33 0.27 0.00 -1.86 0.56 103.07 104.72 1cey h GLY 39 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1cey h GLY 39 CO 0.00 -0.33 0.18 -2.08 0.00 0.00 0.00 176.54 174.31 1cey h VAL 40 N 0.25 1.22 -0.11 4.60 2.07 -1.93 -0.32 116.25 122.03 1cey h VAL 40 Ca 0.54 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 1cey h VAL 40 Cb 1.06 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1cey h VAL 40 CO -0.61 0.29 -0.24 -0.78 0.02 0.00 0.00 177.57 176.25 1cey h ASP 41 N 0.83 0.40 0.53 0.57 1.82 -0.43 -2.73 116.42 117.42 1cey h ASP 41 Ca 0.19 -0.57 -0.02 0.00 -0.39 0.00 0.00 57.03 56.24 1cey h ASP 41 Cb 0.24 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1cey h ASP 41 CO -0.01 0.90 -0.38 0.00 -1.61 0.00 0.00 179.24 178.14 1cey h ALA 42 N 0.52 -1.14 -0.82 -0.78 0.00 -0.23 0.28 119.26 117.10 1cey h ALA 42 Ca 0.00 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.92 1cey h ALA 42 Cb 0.83 0.54 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 1cey h ALA 42 CO 0.05 -1.13 -0.06 1.25 0.00 0.00 0.00 179.25 179.36 1cey h LEU 43 N -0.87 -0.51 -0.84 0.00 6.46 -1.15 2.46 115.31 120.86 1cey h LEU 43 Ca -0.07 0.23 -0.08 0.00 -0.12 0.00 0.00 57.88 57.84 1cey h LEU 43 Cb 0.71 0.42 -0.02 0.00 -0.73 0.00 0.00 40.66 41.05 1cey h LEU 43 CO 0.03 -0.24 0.02 0.78 -0.62 0.00 0.00 178.44 178.42 1cey h ASN 44 N 0.05 0.86 0.14 1.25 -0.26 -1.14 -2.48 115.58 114.00 1cey h ASN 44 Ca 0.44 -0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 1cey h ASN 44 Cb 0.76 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 1cey h ASN 44 CO -0.77 0.91 -0.16 1.17 -1.06 0.00 0.00 177.43 177.52 1cey n LYS 45 N -4.21 1.16 0.04 0.81 3.00 0.18 -3.89 118.16 115.25 1cey n LYS 45 Ca 0.03 -0.68 -0.09 0.00 -0.00 0.00 0.00 58.31 57.57 1cey n LYS 45 Cb 0.31 -1.49 -0.13 0.00 0.00 0.00 0.00 35.03 33.72 1cey n LYS 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1cey h LEU 46 N 1.66 0.06 0.00 3.14 5.85 0.44 -3.17 115.31 123.28 1cey h LEU 46 Ca 0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1cey h LEU 46 Cb 0.51 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1cey h LEU 46 CO 0.00 1.07 0.00 0.00 -0.34 0.00 0.00 178.44 179.17 1cey n GLN 47 N -3.28 0.11 -0.14 1.25 6.02 -1.19 -3.46 117.38 116.70 1cey n GLN 47 Ca -0.07 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.81 1cey n GLN 47 Cb 0.99 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.66 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cey h ALA 48 N 2.23 -0.72 0.00 -1.58 0.00 -1.80 -3.40 119.26 114.00 1cey h ALA 48 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1cey h ALA 48 Cb 0.00 1.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1cey h ALA 48 CO 0.00 -0.96 -0.03 0.41 0.00 0.00 0.00 179.25 178.66 1cey n GLY 49 N -1.33 0.60 0.61 0.00 0.00 -1.23 -5.10 105.19 98.75 1cey n GLY 49 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1cey n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cey n GLY 50 N 0.00 -1.26 3.42 -0.02 0.00 -1.22 -4.96 105.19 101.15 1cey n GLY 50 Ca -0.03 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 1cey n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cey s TYR 51 N 0.00 2.93 -0.80 1.61 1.51 -1.26 -4.86 117.35 116.48 1cey s TYR 51 Ca 0.00 -0.69 0.02 0.00 -1.01 0.00 0.00 57.07 55.38 1cey s TYR 51 Cb 0.00 -3.94 0.09 0.00 -0.11 0.00 0.00 41.96 38.00 1cey s TYR 51 CO 0.00 -1.30 0.98 0.41 -1.11 0.00 0.00 175.55 174.53 1cey n GLY 52 N 5.25 -0.46 3.51 0.71 0.00 -1.20 -4.53 105.19 108.46 1cey n GLY 52 Ca -0.07 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1cey n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cey s PHE 53 N -2.91 -0.65 -0.25 1.61 5.36 -0.51 -3.79 117.98 116.84 1cey s PHE 53 Ca -0.00 1.55 -0.02 0.00 -0.96 0.00 0.00 56.93 57.49 1cey s PHE 53 Cb 0.00 0.24 0.08 0.00 -0.34 0.00 0.00 43.02 43.00 1cey s PHE 53 CO 0.01 -0.35 0.07 0.08 -1.46 0.00 0.00 175.22 173.57 1cey s VAL 54 N 0.13 0.58 -1.28 3.12 1.01 -1.08 -1.63 120.40 121.26 1cey s VAL 54 Ca -0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 1cey s VAL 54 Cb -0.04 -1.25 0.17 0.00 0.00 0.00 0.00 36.38 35.26 1cey s VAL 54 CO 0.02 -0.43 1.92 -0.38 0.00 0.00 0.00 175.10 176.22 1cey n ILE 55 N 5.00 4.47 -3.95 2.22 5.41 -0.05 -1.85 119.36 130.61 1cey n ILE 55 Ca -0.06 -4.45 -0.32 0.00 1.00 0.00 0.00 62.75 58.92 1cey n ILE 55 Cb 0.45 -2.32 -0.05 0.00 -0.71 0.00 0.00 39.64 37.01 1cey n ILE 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1cey s SER 56 N 0.69 6.16 0.42 4.38 0.15 -1.23 -2.75 113.70 121.52 1cey s SER 56 Ca 0.41 0.23 0.07 0.00 0.70 0.00 0.00 55.95 57.36 1cey s SER 56 Cb 0.10 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.51 1cey s SER 56 CO -0.00 0.20 0.21 1.51 1.20 0.00 0.00 173.24 176.36 1cey s ASP 57 N -2.29 4.50 1.01 5.45 1.47 -1.03 -2.17 116.67 123.61 1cey s ASP 57 Ca 0.31 -1.07 -0.20 0.00 1.18 0.00 0.00 52.55 52.78 1cey s ASP 57 Cb -0.13 -0.40 0.00 0.00 -0.34 0.00 0.00 42.92 42.05 1cey s ASP 57 CO 0.24 -0.60 -0.50 1.87 0.68 0.00 0.00 175.17 176.85 1cey n TRP 58 N -1.31 -1.52 -3.70 2.11 -0.00 -1.20 -4.50 117.44 107.32 1cey n TRP 58 Ca -0.01 0.34 -0.14 0.00 -0.00 0.00 0.00 57.50 57.69 1cey n TRP 58 Cb 0.64 -1.45 -0.14 0.00 -0.00 0.00 0.00 31.31 30.36 1cey n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1cey s ASN 59 N -1.50 0.23 0.06 5.87 0.01 -1.26 -4.71 114.94 113.64 1cey s ASN 59 Ca 0.41 0.44 -0.13 0.00 -0.71 0.00 0.00 52.86 52.86 1cey s ASN 59 Cb -0.02 0.40 -0.28 0.00 0.41 0.00 0.00 41.25 41.76 1cey s ASN 59 CO 0.55 -0.20 1.12 0.24 -1.51 0.00 0.00 177.10 177.29 1cey h MET 60 N 7.84 0.58 -6.45 -0.60 2.86 -1.95 -3.35 114.93 113.87 1cey h MET 60 Ca -0.26 -0.79 -0.53 0.00 -2.06 0.00 0.00 59.70 56.06 1cey h MET 60 Cb 1.13 0.26 0.02 0.00 0.06 0.00 0.00 31.60 33.07 1cey h MET 60 CO 0.25 1.35 1.00 -2.14 1.06 0.00 0.00 176.91 178.44 1cey s PRO 61 N -2.97 4.20 0.47 -0.22 0.02 -1.26 -4.79 135.00 130.45 1cey s PRO 61 Ca -0.09 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.27 1cey s PRO 61 Cb 0.06 -3.60 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1cey s PRO 61 CO 0.93 -0.74 0.00 0.27 -0.33 0.00 0.00 177.00 177.13 1cey n ASN 62 N 5.60 -0.21 -4.31 2.53 0.23 -1.26 -4.53 115.26 113.31 1cey n ASN 62 Ca 0.16 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.85 1cey n ASN 62 Cb 0.40 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.16 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1cey n MET 63 N 0.00 0.09 -0.35 -3.83 2.81 -1.26 -4.98 117.12 109.60 1cey n MET 63 Ca 0.00 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1cey n MET 63 Cb 0.00 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 1cey n MET 63 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1cey n ASP 64 N 0.90 0.00 0.00 7.83 5.75 -1.26 -4.78 116.55 124.99 1cey n ASP 64 Ca 0.06 -0.40 0.09 0.00 -0.01 0.00 0.00 54.79 54.53 1cey n ASP 64 Cb 0.51 0.00 0.56 0.00 -1.03 0.00 0.00 41.12 41.16 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cey n GLY 65 N 5.00 -0.78 0.19 6.12 0.00 -1.26 -3.62 105.19 110.83 1cey n GLY 65 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1cey n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cey h LEU 66 N 0.00 -0.32 -1.02 0.99 -0.00 -1.94 -2.26 115.31 110.75 1cey h LEU 66 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1cey h LEU 66 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1cey h LEU 66 CO 0.00 0.13 0.30 -0.33 -0.00 0.00 0.00 178.44 178.54 1cey h GLU 67 N -0.90 0.00 0.19 1.13 4.39 -1.95 -0.61 114.58 116.83 1cey h GLU 67 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1cey h GLU 67 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1cey h GLU 67 CO 0.06 0.00 -0.09 1.25 -1.16 0.00 0.00 179.01 179.07 1cey h LEU 68 N 0.00 -0.21 -0.39 1.33 5.85 -1.60 -2.30 115.31 117.98 1cey h LEU 68 Ca 0.00 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1cey h LEU 68 Cb 0.60 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 1cey h LEU 68 CO 0.00 0.12 -0.37 0.25 -0.34 0.00 0.00 178.44 178.10 1cey h LEU 69 N -0.79 -1.28 -0.87 2.25 6.46 -0.77 1.08 115.31 121.39 1cey h LEU 69 Ca -0.03 0.18 0.22 0.00 -0.12 0.00 0.00 57.88 58.13 1cey h LEU 69 Cb 0.19 0.54 -0.13 0.00 -0.73 0.00 0.00 40.66 40.53 1cey h LEU 69 CO 0.04 -0.23 0.32 0.11 -0.62 0.00 0.00 178.44 178.07 1cey h LYS 70 N -0.17 0.31 0.00 1.25 1.57 -1.63 1.24 116.57 119.15 1cey h LYS 70 Ca 0.07 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1cey h LYS 70 Cb 0.35 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1cey h LYS 70 CO -0.46 0.21 -0.26 1.15 -0.57 0.00 0.00 179.45 179.51 1cey h THR 71 N 0.32 0.68 -0.00 -0.16 2.02 0.27 -1.96 112.91 114.09 1cey h THR 71 Ca 0.54 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1cey h THR 71 Cb 1.05 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1cey h THR 71 CO -0.57 0.26 -0.01 -0.38 0.37 0.00 0.00 175.52 175.20 1cey n ILE 72 N -3.48 0.00 0.03 3.11 5.41 0.41 -2.54 119.36 122.30 1cey n ILE 72 Ca -0.00 -0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.53 1cey n ILE 72 Cb 0.43 -0.49 -0.14 0.00 -0.71 0.00 0.00 39.64 38.73 1cey n ILE 72 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1cey h ARG 73 N 0.00 0.30 0.00 0.38 2.43 -0.27 -3.30 114.38 113.92 1cey h ARG 73 Ca 0.00 -0.52 -0.11 0.00 -0.81 0.00 0.00 59.98 58.54 1cey h ARG 73 Cb 0.49 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1cey h ARG 73 CO 0.00 1.25 -0.52 0.00 -1.51 0.00 0.00 179.97 179.19 1cey h ALA 74 N 0.03 0.73 -0.76 2.80 0.00 -1.57 -2.82 119.26 117.67 1cey h ALA 74 Ca -0.35 -0.47 -0.69 0.00 0.00 0.00 0.00 54.91 53.40 1cey h ALA 74 Cb 1.95 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 1cey h ALA 74 CO 0.10 0.65 1.41 -3.47 0.00 0.00 0.00 179.25 177.95 1cey n ASP 75 N -3.33 1.68 -2.73 0.00 2.03 -1.05 -0.22 116.55 112.93 1cey n ASP 75 Ca 0.01 0.45 -0.11 0.00 0.52 0.00 0.00 54.79 55.66 1cey n ASP 75 Cb 0.69 -1.16 -0.01 0.00 -0.72 0.00 0.00 41.12 39.93 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cey n GLY 76 N 6.80 -0.49 3.85 0.27 0.00 -1.26 -1.19 105.19 113.17 1cey n GLY 76 Ca 0.46 0.02 -0.36 0.00 0.00 0.00 0.00 46.02 46.14 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 77 N -2.65 -2.50 -0.05 4.61 0.00 0.70 -4.91 120.51 115.71 1cey n ALA 77 Ca -0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.00 1cey n ALA 77 Cb 0.55 -3.31 -0.01 0.00 0.00 0.00 0.00 19.45 16.68 1cey n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1cey n MET 78 N -4.49 0.32 -2.57 0.00 2.81 -0.33 -4.91 117.12 107.95 1cey n MET 78 Ca -0.13 0.45 -0.09 0.00 -1.81 0.00 0.00 57.70 56.12 1cey n MET 78 Cb 0.59 -1.43 -0.00 0.00 -0.71 0.00 0.00 33.22 31.67 1cey n MET 78 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1cey n SER 79 N -3.95 -2.82 0.00 7.83 7.64 -1.19 -4.58 113.62 116.55 1cey n SER 79 Ca -0.05 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1cey n SER 79 Cb 0.19 -2.45 0.00 0.00 -1.01 0.00 0.00 64.21 60.94 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cey n ALA 80 N -2.45 0.77 -1.46 -0.43 0.00 -1.26 -5.05 120.51 110.63 1cey n ALA 80 Ca -0.08 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.82 1cey n ALA 80 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 1cey n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cey n LEU 81 N -0.45 1.93 -4.59 0.00 7.94 -1.26 -4.76 117.00 115.81 1cey n LEU 81 Ca 0.00 0.60 -0.41 0.00 -1.11 0.00 0.00 56.01 55.09 1cey n LEU 81 Cb 0.00 -1.17 -0.03 0.00 0.53 0.00 0.00 43.42 42.75 1cey n LEU 81 CO 0.00 -0.67 1.89 -2.84 -1.11 0.00 0.00 177.39 174.66 1cey s PRO 82 N 5.63 2.89 -0.24 1.96 0.02 -1.25 -4.75 135.00 139.25 1cey s PRO 82 Ca 1.09 1.88 -0.06 0.00 0.02 0.00 0.00 61.00 63.93 1cey s PRO 82 Cb -1.02 -4.42 -0.02 0.00 0.02 0.00 0.00 34.50 29.06 1cey s PRO 82 CO 0.56 -2.38 0.02 0.08 -0.33 0.00 0.00 177.00 174.95 1cey s VAL 83 N 9.22 3.87 -0.53 3.83 1.01 -1.26 -2.63 120.40 133.91 1cey s VAL 83 Ca 1.00 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 1cey s VAL 83 Cb -0.29 -2.82 0.09 0.00 0.00 0.00 0.00 36.38 33.36 1cey s VAL 83 CO 0.33 0.34 0.56 -0.22 0.00 0.00 0.00 175.10 176.11 1cey s LEU 84 N 1.54 5.57 -0.47 3.92 1.98 -0.77 -1.14 118.68 129.31 1cey s LEU 84 Ca 0.06 -1.39 -0.29 0.00 -2.89 0.00 0.00 54.13 49.62 1cey s LEU 84 Cb -0.15 -2.28 0.03 0.00 0.66 0.00 0.00 46.19 44.45 1cey s LEU 84 CO 0.01 -0.88 1.14 -0.32 -1.89 0.00 0.00 176.35 174.41 1cey s MET 85 N 2.12 3.74 -0.10 1.98 1.75 -1.00 -3.54 119.30 124.25 1cey s MET 85 Ca 0.08 0.60 -0.05 0.00 -1.25 0.00 0.00 55.69 55.08 1cey s MET 85 Cb -0.25 -3.90 -0.04 0.00 2.84 0.00 0.00 34.83 33.48 1cey s MET 85 CO 0.07 -1.37 0.10 0.54 -0.65 0.00 0.00 175.02 173.71 1cey s VAL 86 N 4.45 5.09 -0.15 10.11 0.11 -0.92 -2.72 120.40 136.38 1cey s VAL 86 Ca 0.48 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 59.45 1cey s VAL 86 Cb -0.08 -3.21 0.05 0.00 -1.53 0.00 0.00 36.38 31.61 1cey s VAL 86 CO 0.31 0.59 0.36 0.28 -3.33 0.00 0.00 175.10 173.31 1cey s THR 87 N -1.01 -0.02 -0.03 5.04 -1.32 -0.55 -3.23 115.64 114.52 1cey s THR 87 Ca 0.15 0.07 -0.17 0.00 -1.21 0.00 0.00 61.69 60.53 1cey s THR 87 Cb -0.12 -0.53 -0.10 0.00 -1.51 0.00 0.00 72.50 70.24 1cey s THR 87 CO 0.05 0.03 0.71 0.00 -2.21 0.00 0.00 174.62 173.20 1cey h ALA 88 N 6.54 -0.54 0.00 11.08 0.00 -1.86 -3.32 119.26 131.16 1cey h ALA 88 Ca -0.34 -0.14 -0.66 0.00 0.00 0.00 0.00 54.91 53.77 1cey h ALA 88 Cb 1.18 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1cey h ALA 88 CO 0.30 -0.52 3.07 -1.91 0.00 0.00 0.00 179.25 180.19 1cey n GLU 89 N -5.14 2.68 -2.29 0.00 4.07 -1.26 -4.73 120.64 113.97 1cey n GLU 89 Ca -0.07 -2.27 -0.43 0.00 -0.06 0.00 0.00 57.16 54.33 1cey n GLU 89 Cb 0.24 -3.05 -0.02 0.00 -0.06 0.00 0.00 31.44 28.54 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cey s ALA 90 N 3.38 2.97 -0.07 4.31 0.00 -1.25 -4.98 121.76 126.13 1cey s ALA 90 Ca 0.53 -0.14 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 1cey s ALA 90 Cb 0.15 -3.98 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 1cey s ALA 90 CO -0.04 -2.52 0.49 0.21 0.00 0.00 0.00 175.76 173.91 1cey s LYS 91 N 5.16 4.26 0.62 0.00 2.47 -1.26 -4.91 119.74 126.09 1cey s LYS 91 Ca 0.64 0.51 0.24 0.00 -1.56 0.00 0.00 55.97 55.80 1cey s LYS 91 Cb -0.15 -3.37 1.12 0.00 -1.46 0.00 0.00 37.83 33.97 1cey s LYS 91 CO 0.32 0.31 1.59 -0.22 0.16 0.00 0.00 175.35 177.52 1cey h LYS 92 N 6.07 0.00 0.00 4.03 3.64 -1.99 0.23 116.57 128.54 1cey h LYS 92 Ca -0.44 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.73 1cey h LYS 92 Cb 1.19 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1cey h LYS 92 CO 0.71 0.00 -1.20 1.49 -2.27 0.00 0.00 179.45 178.18 1cey h GLU 93 N 0.00 0.00 -0.23 1.90 4.81 -2.00 -3.38 114.58 115.67 1cey h GLU 93 Ca 0.21 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1cey h GLU 93 Cb 1.68 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 1cey h GLU 93 CO -0.00 0.91 -0.12 -0.91 -0.73 0.00 0.00 179.01 178.16 1cey h ASN 94 N -1.00 0.36 -0.03 1.04 4.21 -1.54 -1.83 115.58 116.79 1cey h ASN 94 Ca -0.32 -0.08 0.01 0.00 1.21 0.00 0.00 56.30 57.12 1cey h ASN 94 Cb 1.23 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 38.34 1cey h ASN 94 CO -0.19 0.52 0.17 0.40 -1.29 0.00 0.00 177.43 177.03 1cey h ILE 95 N 0.36 0.08 0.00 2.81 2.04 -0.80 0.50 117.51 122.49 1cey h ILE 95 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1cey h ILE 95 Cb 0.43 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1cey h ILE 95 CO 0.02 0.00 -0.61 0.40 0.00 0.00 0.00 178.15 177.96 1cey h ILE 96 N 0.00 0.00 -0.18 -0.67 1.08 -1.51 -3.29 117.51 112.94 1cey h ILE 96 Ca 0.02 -0.61 -0.04 0.00 -0.39 0.00 0.00 64.86 63.84 1cey h ILE 96 Cb 0.36 1.23 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1cey h ILE 96 CO -0.00 0.00 -0.04 0.00 -0.69 0.00 0.00 178.15 177.42 1cey h ALA 97 N 2.39 0.24 0.41 1.87 0.00 -0.02 0.88 119.26 125.03 1cey h ALA 97 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1cey h ALA 97 Cb 0.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1cey h ALA 97 CO 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 179.25 179.06 1cey h ALA 98 N 0.72 -0.55 -0.08 0.00 0.00 -1.68 -2.67 119.26 115.01 1cey h ALA 98 Ca 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1cey h ALA 98 Cb 0.48 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1cey h ALA 98 CO 0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 179.25 178.56 1cey h ALA 99 N -0.30 1.84 -0.76 0.00 0.00 -1.62 0.23 119.26 118.65 1cey h ALA 99 Ca -0.06 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 54.95 1cey h ALA 99 Cb 0.53 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1cey h ALA 99 CO 0.09 0.13 0.51 1.96 0.00 0.00 0.00 179.25 181.94 1cey h GLN 100 N 0.11 0.36 0.00 0.00 1.08 0.12 3.11 115.11 119.89 1cey h GLN 100 Ca 0.03 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 1cey h GLN 100 Cb 0.10 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1cey h GLN 100 CO 0.00 0.24 -0.64 0.00 -0.95 0.00 0.00 178.83 177.49 1cey h ALA 101 N 1.64 0.66 -4.33 3.87 0.00 -0.46 -3.49 119.26 117.15 1cey h ALA 101 Ca 0.37 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1cey h ALA 101 Cb 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1cey h ALA 101 CO -0.11 0.68 -0.11 0.41 0.00 0.00 0.00 179.25 180.11 1cey n GLY 102 N 1.25 -0.92 0.00 0.00 0.00 1.04 -4.93 105.19 101.63 1cey n GLY 102 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1cey n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 103 N -1.02 0.00 -0.10 4.61 0.00 -1.25 -4.96 120.51 117.79 1cey n ALA 103 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.29 1cey n ALA 103 Cb 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.77 1cey n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cey n SER 104 N 0.00 1.86 0.00 0.00 7.64 -0.30 -4.71 113.62 118.11 1cey n SER 104 Ca 0.00 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1cey n SER 104 Cb 0.00 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cey n GLY 105 N 1.46 -0.98 3.16 0.23 0.00 -1.24 -5.00 105.19 102.82 1cey n GLY 105 Ca -0.27 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 1cey n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cey s TYR 106 N -3.00 1.04 0.00 1.61 5.04 -1.26 -2.37 117.35 118.41 1cey s TYR 106 Ca 0.00 -0.59 -0.08 0.00 -2.44 0.00 0.00 57.07 53.95 1cey s TYR 106 Cb 0.00 -0.58 0.00 0.00 0.35 0.00 0.00 41.96 41.74 1cey s TYR 106 CO 0.00 0.00 0.16 0.54 -1.34 0.00 0.00 175.55 174.91 1cey s VAL 107 N -2.05 0.08 0.00 3.14 0.11 -1.10 -4.99 120.40 115.60 1cey s VAL 107 Ca 0.02 -0.67 -0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1cey s VAL 107 Cb -0.05 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1cey s VAL 107 CO 0.01 -0.37 0.00 0.52 -3.33 0.00 0.00 175.10 171.93 1cey n VAL 108 N 1.38 0.00 -3.46 2.04 0.31 -1.26 -1.48 118.33 115.86 1cey n VAL 108 Ca -0.22 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 63.97 1cey n VAL 108 Cb 0.56 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.48 1cey n VAL 108 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1cey s LYS 109 N -2.97 1.20 0.11 5.55 -2.85 -1.25 -4.17 119.74 115.36 1cey s LYS 109 Ca 0.00 -0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.43 1cey s LYS 109 Cb -0.00 0.55 -0.06 0.00 -2.06 0.00 0.00 37.83 36.26 1cey s LYS 109 CO 0.00 -0.48 1.11 -1.25 0.10 0.00 0.00 175.35 174.83 1cey s PRO 110 N -2.90 4.54 0.48 1.78 0.05 -1.26 -4.63 135.00 133.06 1cey s PRO 110 Ca -0.03 1.69 -0.03 0.00 0.05 0.00 0.00 61.00 62.68 1cey s PRO 110 Cb -0.01 -3.33 -0.01 0.00 0.05 0.00 0.00 34.50 31.20 1cey s PRO 110 CO -0.05 -0.05 0.75 -0.59 0.05 0.00 0.00 177.00 177.11 1cey s PHE 111 N 0.36 3.36 0.05 0.56 -0.12 -1.26 -5.08 117.98 115.85 1cey s PHE 111 Ca 0.53 0.51 -0.07 0.00 -0.05 0.00 0.00 56.93 57.85 1cey s PHE 111 Cb -0.28 -2.37 -0.05 0.00 -0.63 0.00 0.00 43.02 39.69 1cey s PHE 111 CO 0.32 -0.40 0.32 0.99 -0.05 0.00 0.00 175.22 176.40 1cey s THR 112 N -2.69 5.22 0.63 -4.49 2.01 -1.26 -4.84 115.64 110.22 1cey s THR 112 Ca 0.48 0.22 0.24 0.00 0.31 0.00 0.00 61.69 62.94 1cey s THR 112 Cb -0.10 -3.60 0.28 0.00 0.01 0.00 0.00 72.50 69.09 1cey s THR 112 CO 0.41 0.29 1.65 0.00 -0.69 0.00 0.00 174.62 176.29 1cey h ALA 113 N 3.73 1.96 0.05 7.40 0.00 -1.98 1.98 119.26 132.41 1cey h ALA 113 Ca -0.49 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.17 1cey h ALA 113 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1cey h ALA 113 CO 0.67 -0.79 -1.06 0.00 0.00 0.00 0.00 179.25 178.08 1cey h ALA 114 N 1.00 0.27 0.25 0.00 0.00 -1.98 -1.76 119.26 117.04 1cey h ALA 114 Ca 0.14 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1cey h ALA 114 Cb 1.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1cey h ALA 114 CO -0.00 0.88 -0.12 1.15 0.00 0.00 0.00 179.25 181.16 1cey h THR 115 N 0.16 0.00 -1.02 0.00 2.02 0.28 -1.97 112.91 112.37 1cey h THR 115 Ca -0.10 -0.29 0.26 0.00 0.77 0.00 0.00 66.41 67.04 1cey h THR 115 Cb 1.73 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.05 1cey h THR 115 CO 0.18 0.00 0.66 0.25 0.37 0.00 0.00 175.52 176.98 1cey h LEU 116 N -0.63 0.44 0.55 2.58 6.46 -1.37 -1.57 115.31 121.77 1cey h LEU 116 Ca -0.03 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1cey h LEU 116 Cb 0.26 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1cey h LEU 116 CO 0.06 0.10 -0.38 -0.33 -0.62 0.00 0.00 178.44 177.27 1cey h GLU 117 N 0.40 -0.85 -0.97 1.25 4.39 -1.26 0.32 114.58 117.85 1cey h GLU 117 Ca 0.58 0.06 0.33 0.00 0.34 0.00 0.00 59.36 60.66 1cey h GLU 117 Cb 1.46 0.19 -0.17 0.00 -0.10 0.00 0.00 28.75 30.14 1cey h GLU 117 CO -0.28 -0.57 0.35 1.49 -1.16 0.00 0.00 179.01 178.85 1cey h GLU 118 N -0.88 0.10 -0.04 2.33 4.22 -0.49 1.66 114.58 121.49 1cey h GLU 118 Ca -0.07 -0.01 -0.18 0.00 0.08 0.00 0.00 59.36 59.18 1cey h GLU 118 Cb 0.72 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1cey h GLU 118 CO 0.05 0.07 -0.75 0.87 -2.18 0.00 0.00 179.01 177.07 1cey h LYS 119 N 0.11 0.24 0.32 1.92 1.79 -1.17 -2.95 116.57 116.84 1cey h LYS 119 Ca 0.70 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.94 1cey h LYS 119 Cb 1.65 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.35 1cey h LYS 119 CO -0.76 0.89 -0.16 1.25 -1.08 0.00 0.00 179.45 179.59 1cey h LEU 120 N 0.16 -0.37 -0.62 2.94 5.85 0.63 -1.32 115.31 122.58 1cey h LEU 120 Ca -0.03 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.82 1cey h LEU 120 Cb 1.32 0.10 -0.12 0.00 0.37 0.00 0.00 40.66 42.33 1cey h LEU 120 CO 0.12 -0.20 -0.32 -1.13 -0.34 0.00 0.00 178.44 176.57 1cey h ASN 121 N -0.57 -1.11 -0.05 1.25 -0.00 -1.05 1.08 115.58 115.13 1cey h ASN 121 Ca -0.04 0.23 0.01 0.00 -0.00 0.00 0.00 56.30 56.50 1cey h ASN 121 Cb 0.33 0.57 -0.00 0.00 -0.00 0.00 0.00 38.32 39.22 1cey h ASN 121 CO 0.07 -0.30 0.06 0.50 -0.00 0.00 0.00 177.43 177.77 1cey h LYS 122 N -0.14 0.00 0.05 6.67 3.64 -1.56 -2.62 116.57 122.61 1cey h LYS 122 Ca 0.25 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.46 1cey h LYS 122 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1cey h LYS 122 CO -0.70 0.00 -0.86 0.82 -2.27 0.00 0.00 179.45 176.44 1cey h ILE 123 N 0.00 1.30 0.00 2.00 2.04 0.22 -3.27 117.51 119.80 1cey h ILE 123 Ca 0.02 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1cey h ILE 123 Cb 0.15 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1cey h ILE 123 CO -0.00 0.58 0.00 0.49 0.00 0.00 0.00 178.15 179.22 1cey n PHE 124 N -4.29 0.00 0.06 1.37 3.01 0.72 -1.56 117.46 116.78 1cey n PHE 124 Ca -0.21 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.15 1cey n PHE 124 Cb 0.71 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.17 1cey n PHE 124 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1cey h GLU 125 N 0.00 0.37 0.11 -1.08 4.81 -1.55 -0.86 114.58 116.39 1cey h GLU 125 Ca 0.00 -0.35 -0.29 0.00 -0.13 0.00 0.00 59.36 58.59 1cey h GLU 125 Cb 0.00 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1cey h GLU 125 CO 0.00 1.01 -1.41 0.87 -0.73 0.00 0.00 179.01 178.75 1cey h LYS 126 N 0.23 0.24 0.00 1.92 1.57 -1.50 -3.19 116.57 115.85 1cey h LYS 126 Ca -0.05 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.27 1cey h LYS 126 Cb 1.43 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.89 1cey h LYS 126 CO 0.14 1.13 -0.19 1.25 -0.57 0.00 0.00 179.45 181.21 1cey h LEU 127 N 0.07 0.00 -2.75 2.94 6.46 -1.50 -3.47 115.31 117.06 1cey h LEU 127 Ca -0.20 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1cey h LEU 127 Cb 1.99 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.92 1cey h LEU 127 CO 0.17 0.19 -0.19 0.61 -0.62 0.00 0.00 178.44 178.61 1cey n GLY 128 N -0.71 -1.11 0.00 3.75 0.00 -0.33 -5.09 105.19 101.70 1cey n GLY 128 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35