#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 -6.54 -1.20 0.00 -0.08 -1.26 -4.44 116.55 103.02 1cey n ASP 3 Ca 0.00 1.01 0.04 0.00 -1.51 0.00 0.00 54.79 54.33 1cey n ASP 3 Cb 0.00 -3.33 0.21 0.00 2.34 0.00 0.00 41.12 40.34 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cey n LYS 4 N -1.21 2.98 -2.66 -0.67 4.76 -1.26 -4.20 118.16 115.91 1cey n LYS 4 Ca 0.00 -1.63 -0.05 0.00 -2.87 0.00 0.00 58.31 53.76 1cey n LYS 4 Cb 0.07 -1.88 0.07 0.00 -1.84 0.00 0.00 35.03 31.46 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 0.34 0.81 -1.62 1.97 0.28 -1.24 -3.11 120.64 118.07 1cey n GLU 5 Ca 0.14 -1.36 -0.43 0.00 -0.16 0.00 0.00 57.16 55.36 1cey n GLU 5 Cb 0.73 -0.01 -0.03 0.00 1.43 0.00 0.00 31.44 33.56 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 -2.81 3.53 -0.65 -1.84 2.96 -1.26 -4.71 118.68 113.90 1cey s LEU 6 Ca 0.14 1.95 -0.36 0.00 -0.22 0.00 0.00 54.13 55.65 1cey s LEU 6 Cb 0.27 -3.51 -0.18 0.00 0.50 0.00 0.00 46.19 43.27 1cey s LEU 6 CO -0.06 -1.88 2.38 0.29 -1.32 0.00 0.00 176.35 175.76 1cey n LYS 7 N 8.65 0.30 -4.00 1.98 5.02 -1.26 -4.80 118.16 124.05 1cey n LYS 7 Ca 0.29 0.06 -0.26 0.00 -2.02 0.00 0.00 58.31 56.37 1cey n LYS 7 Cb 0.45 -1.86 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 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 7.91 3.35 -0.27 2.13 0.08 -1.02 -1.55 117.98 128.60 1cey s PHE 8 Ca 1.22 0.07 -0.01 0.00 0.12 0.00 0.00 56.93 58.32 1cey s PHE 8 Cb -1.17 -1.61 0.09 0.00 -0.57 0.00 0.00 43.02 39.76 1cey s PHE 8 CO 0.53 0.52 0.07 -1.17 -0.10 0.00 0.00 175.22 175.07 1cey s LEU 9 N -3.16 1.99 -0.39 -0.37 2.96 -0.55 -1.98 118.68 117.20 1cey s LEU 9 Ca 0.33 -1.39 -0.21 0.00 -0.22 0.00 0.00 54.13 52.64 1cey s LEU 9 Cb -0.11 -0.82 0.01 0.00 0.50 0.00 0.00 46.19 45.77 1cey s LEU 9 CO 0.26 -0.37 0.67 0.68 -1.32 0.00 0.00 176.35 176.27 1cey s VAL 10 N 1.66 4.83 -1.01 1.68 -7.23 -1.04 -0.93 120.40 118.37 1cey s VAL 10 Ca 0.06 0.47 -0.02 0.00 -1.81 0.00 0.00 61.98 60.68 1cey s VAL 10 Cb -0.17 -4.15 0.30 0.00 0.56 0.00 0.00 36.38 32.92 1cey s VAL 10 CO -0.19 -0.44 1.40 0.52 -0.31 0.00 0.00 175.10 176.08 1cey n VAL 11 N 5.73 4.97 -4.83 1.32 0.31 -0.97 -2.12 118.33 122.74 1cey n VAL 11 Ca -0.01 -5.85 -0.33 0.00 -0.01 0.00 0.00 64.34 58.15 1cey n VAL 11 Cb 0.48 -2.03 -0.14 0.00 -0.91 0.00 0.00 33.84 31.24 1cey n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1cey s ASP 12 N -1.90 3.94 0.00 4.52 1.01 -1.24 -4.42 116.67 118.58 1cey s ASP 12 Ca 0.33 -0.33 0.27 0.00 0.71 0.00 0.00 52.55 53.52 1cey s ASP 12 Cb 0.08 -1.52 1.34 0.00 1.01 0.00 0.00 42.92 43.83 1cey s ASP 12 CO 0.07 0.18 1.90 -0.67 0.21 0.00 0.00 175.17 176.87 1cey n ASP 13 N 3.40 0.00 -4.78 0.27 2.03 -1.26 -4.78 116.55 111.42 1cey n ASP 13 Ca -0.18 -0.10 -0.37 0.00 0.52 0.00 0.00 54.79 54.66 1cey n ASP 13 Cb 0.53 -0.28 -0.06 0.00 -0.72 0.00 0.00 41.12 40.58 1cey n ASP 13 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1cey s PHE 14 N -2.56 3.73 -1.65 -0.67 2.19 -1.26 -4.94 117.98 112.82 1cey s PHE 14 Ca 0.25 1.75 0.14 0.00 0.33 0.00 0.00 56.93 59.40 1cey s PHE 14 Cb 0.18 -2.89 0.46 0.00 -1.31 0.00 0.00 43.02 39.46 1cey s PHE 14 CO 0.40 0.26 1.35 0.43 1.83 0.00 0.00 175.22 179.50 1cey n SER 15 N 0.72 2.97 0.00 6.13 7.64 -1.26 -4.12 113.62 125.70 1cey n SER 15 Ca 0.01 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.74 1cey n SER 15 Cb 0.50 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1cey n SER 15 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1cey n THR 16 N 0.81 0.00 -0.04 0.44 -2.24 -1.26 -4.73 114.28 107.26 1cey n THR 16 Ca 0.17 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.10 1cey n THR 16 Cb 0.52 -0.37 0.58 0.00 -2.10 0.00 0.00 70.33 68.96 1cey n THR 16 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1cey h MET 17 N 0.00 0.23 -0.27 -0.78 -1.53 -1.97 -0.83 114.93 109.78 1cey h MET 17 Ca 0.00 -0.01 -0.10 0.00 -3.44 0.00 0.00 59.70 56.15 1cey h MET 17 Cb 0.40 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.39 1cey h MET 17 CO 0.00 0.15 -0.21 0.00 0.14 0.00 0.00 176.91 176.99 1cey h ARG 18 N 0.24 0.63 -0.04 0.39 3.08 -1.86 -2.74 114.38 114.08 1cey h ARG 18 Ca 0.26 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1cey h ARG 18 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 1cey h ARG 18 CO -0.05 0.90 0.05 0.00 -1.07 0.00 0.00 179.97 179.80 1cey h ARG 19 N 0.36 0.00 -0.02 0.04 3.08 -1.45 0.31 114.38 116.70 1cey h ARG 19 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1cey h ARG 19 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1cey h ARG 19 CO 0.06 0.00 -0.05 0.82 -1.07 0.00 0.00 179.97 179.73 1cey h ILE 20 N 0.00 1.47 0.02 2.04 2.04 -1.17 -3.19 117.51 118.72 1cey h ILE 20 Ca 0.02 -1.46 -0.22 0.00 1.00 0.00 0.00 64.86 64.20 1cey h ILE 20 Cb 0.12 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1cey h ILE 20 CO -0.00 0.39 -1.03 0.58 0.00 0.00 0.00 178.15 178.09 1cey h VAL 21 N -0.51 1.68 -0.28 1.67 2.07 -1.33 -2.66 116.25 116.88 1cey h VAL 21 Ca -0.00 -3.36 0.06 0.00 0.82 0.00 0.00 66.70 64.22 1cey h VAL 21 Cb 0.66 2.86 -0.07 0.00 -1.52 0.00 0.00 31.29 33.22 1cey h VAL 21 CO 0.01 0.96 -0.15 0.03 0.02 0.00 0.00 177.57 178.44 1cey h ARG 22 N 0.01 -0.11 0.56 1.57 3.08 -0.50 0.40 114.38 119.39 1cey h ARG 22 Ca -0.03 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1cey h ARG 22 Cb 1.79 0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.87 1cey h ARG 22 CO 0.14 -0.08 -0.27 -0.97 -1.07 0.00 0.00 179.97 177.73 1cey h ASN 23 N -0.12 -0.64 -1.20 7.04 -0.73 -1.63 -0.93 115.58 117.38 1cey h ASN 23 Ca 0.15 0.02 0.36 0.00 1.87 0.00 0.00 56.30 58.70 1cey h ASN 23 Cb 0.34 0.16 -0.11 0.00 0.27 0.00 0.00 38.32 38.99 1cey h ASN 23 CO -0.35 -0.25 0.78 0.25 -0.37 0.00 0.00 177.43 177.48 1cey h LEU 24 N -1.15 0.32 0.05 0.34 6.46 -1.30 0.48 115.31 120.51 1cey h LEU 24 Ca -0.08 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1cey h LEU 24 Cb 0.58 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1cey h LEU 24 CO 0.13 -0.07 -0.03 -0.07 -0.62 0.00 0.00 178.44 177.78 1cey h LEU 25 N 0.21 -0.06 -1.62 2.25 3.38 -0.13 -3.11 115.31 116.23 1cey h LEU 25 Ca 0.72 -0.58 0.19 0.00 0.09 0.00 0.00 57.88 58.31 1cey h LEU 25 Cb 2.13 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.84 1cey h LEU 25 CO -0.36 0.60 0.56 0.50 0.09 0.00 0.00 178.44 179.83 1cey h LYS 26 N -0.78 0.32 -1.01 1.13 3.64 0.91 0.23 116.57 121.01 1cey h LYS 26 Ca -0.01 -0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.59 1cey h LYS 26 Cb 0.64 -0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.27 1cey h LYS 26 CO 0.01 0.21 0.61 1.49 -2.27 0.00 0.00 179.45 179.51 1cey h GLU 27 N 0.33 0.56 0.09 1.90 4.81 -0.15 -2.58 114.58 119.55 1cey h GLU 27 Ca 0.42 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1cey h GLU 27 Cb 1.14 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1cey h GLU 27 CO -0.13 0.37 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.41 1cey h LEU 28 N 0.58 -0.11 0.00 1.64 -0.00 -0.63 -3.48 115.31 113.31 1cey h LEU 28 Ca 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.50 1cey h LEU 28 Cb 1.21 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1cey h LEU 28 CO -0.41 0.13 0.00 0.61 -0.00 0.00 0.00 178.44 178.77 1cey n GLY 29 N 1.30 0.00 3.43 0.83 0.00 -0.97 -5.13 105.19 104.65 1cey n GLY 29 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.78 -0.43 1.61 0.08 -1.23 -3.62 117.98 117.16 1cey s PHE 30 Ca 0.00 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 56.73 1cey s PHE 30 Cb 0.00 -1.75 0.28 0.00 -0.57 0.00 0.00 43.02 40.98 1cey s PHE 30 CO 0.00 -0.02 0.80 0.09 -0.10 0.00 0.00 175.22 176.00 1cey n ASN 31 N 2.96 -1.11 -2.93 1.36 4.13 -1.18 -3.97 115.26 114.53 1cey n ASN 31 Ca -0.18 -3.16 0.03 0.00 1.68 0.00 0.00 54.58 52.95 1cey n ASN 31 Cb 0.52 0.63 0.00 0.00 -1.54 0.00 0.00 39.78 39.40 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1cey s ASN 32 N -1.62 -0.46 0.35 6.41 3.84 -1.26 -4.96 114.94 117.24 1cey s ASN 32 Ca 0.32 -0.13 0.02 0.00 0.21 0.00 0.00 52.86 53.28 1cey s ASN 32 Cb 0.25 0.81 -0.01 0.00 -0.55 0.00 0.00 41.25 41.76 1cey s ASN 32 CO -0.13 -0.06 0.40 1.33 -2.79 0.00 0.00 177.10 175.85 1cey n VAL 33 N 4.22 0.00 -4.05 -5.21 0.24 -1.26 -2.44 118.33 109.83 1cey n VAL 33 Ca 0.07 -2.07 -0.03 0.00 -2.04 0.00 0.00 64.34 60.27 1cey n VAL 33 Cb 0.61 1.16 -0.01 0.00 -1.47 0.00 0.00 33.84 34.13 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 -0.61 0.24 -4.02 7.34 1.02 -0.84 -4.95 120.64 118.83 1cey n GLU 34 Ca 0.04 -0.48 -0.08 0.00 -0.02 0.00 0.00 57.16 56.61 1cey n GLU 34 Cb 0.60 0.37 -0.11 0.00 -0.02 0.00 0.00 31.44 32.28 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 -2.20 0.44 0.00 3.49 2.02 -1.26 -2.50 118.70 118.69 1cey s GLU 35 Ca 0.05 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1cey s GLU 35 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.39 1cey s GLU 35 CO 0.04 -0.08 0.00 0.00 0.02 0.00 0.00 175.26 175.24 1cey n ALA 36 N 0.97 0.00 0.00 5.21 0.00 -0.90 -4.94 120.51 120.84 1cey n ALA 36 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1cey n ALA 36 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1cey n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 37 N 0.00 0.45 -1.06 0.00 1.02 -1.26 -3.62 120.64 116.17 1cey n GLU 37 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1cey n GLU 37 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.38 1cey n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1cey n ASP 38 N -0.01 0.00 -0.01 1.62 5.75 -1.26 -4.69 116.55 117.95 1cey n ASP 38 Ca 0.00 -0.61 -0.17 0.00 -0.01 0.00 0.00 54.79 54.00 1cey n ASP 38 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1cey h GLY 39 N 0.00 0.61 0.55 6.12 0.00 -1.93 0.18 103.07 108.60 1cey h GLY 39 Ca 0.00 -0.94 0.10 0.00 0.00 0.00 0.00 47.33 46.49 1cey h GLY 39 CO 0.00 0.83 0.55 -2.08 0.00 0.00 0.00 176.54 175.85 1cey h VAL 40 N 0.15 0.95 0.15 4.60 2.07 -1.97 1.28 116.25 123.48 1cey h VAL 40 Ca -0.06 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1cey h VAL 40 Cb 1.30 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1cey h VAL 40 CO 0.13 0.17 -0.07 -0.78 0.02 0.00 0.00 177.57 177.04 1cey h ASP 41 N 0.93 -0.17 0.73 0.57 1.82 -1.92 -2.59 116.42 115.79 1cey h ASP 41 Ca 0.43 -0.36 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 1cey h ASP 41 Cb 0.36 0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.42 1cey h ASP 41 CO -0.24 0.40 -0.35 0.00 -1.61 0.00 0.00 179.24 177.44 1cey h ALA 42 N -0.32 -1.24 -0.97 -0.78 0.00 -0.25 0.35 119.26 116.04 1cey h ALA 42 Ca -0.02 -0.22 0.32 0.00 0.00 0.00 0.00 54.91 55.00 1cey h ALA 42 Cb 0.53 0.38 -0.17 0.00 0.00 0.00 0.00 17.79 18.53 1cey h ALA 42 CO 0.03 -1.17 0.31 1.25 0.00 0.00 0.00 179.25 179.67 1cey h LEU 43 N -1.00 0.01 -0.22 0.00 5.85 0.15 2.67 115.31 122.76 1cey h LEU 43 Ca -0.10 0.25 -0.22 0.00 0.84 0.00 0.00 57.88 58.65 1cey h LEU 43 Cb 0.76 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1cey h LEU 43 CO 0.17 -0.32 -0.84 0.78 -0.34 0.00 0.00 178.44 177.89 1cey h ASN 44 N 0.08 0.69 -0.04 1.25 2.35 -1.14 -3.10 115.58 115.68 1cey h ASN 44 Ca 0.69 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1cey h ASN 44 Cb 1.62 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.78 1cey h ASN 44 CO -0.78 1.27 0.00 0.29 -1.65 0.00 0.00 177.43 176.56 1cey n LYS 45 N -3.85 1.69 0.09 0.81 5.02 0.27 -3.97 118.16 118.22 1cey n LYS 45 Ca -0.07 -1.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.00 1cey n LYS 45 Cb 0.77 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 34.18 1cey n LYS 45 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1cey h LEU 46 N 2.36 0.84 0.00 -0.35 7.12 0.43 -3.01 115.31 122.70 1cey h LEU 46 Ca 0.00 -0.84 0.00 0.00 0.13 0.00 0.00 57.88 57.17 1cey h LEU 46 Cb 0.50 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.37 1cey h LEU 46 CO 0.00 1.60 0.00 0.00 -0.13 0.00 0.00 178.44 179.91 1cey n GLN 47 N -3.83 0.11 0.00 1.25 10.64 -1.25 -2.77 117.38 121.53 1cey n GLN 47 Ca -0.14 0.17 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 1cey n GLN 47 Cb 0.97 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.85 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1cey n ALA 48 N -1.22 -0.11 -1.07 2.61 0.00 -1.14 -4.42 120.51 115.17 1cey n ALA 48 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1cey n ALA 48 Cb 0.04 0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1cey n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 49 N -0.97 -0.97 1.32 0.00 0.00 -1.24 -5.06 105.19 98.27 1cey n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.46 3.61 -0.02 0.00 -1.11 -4.89 105.19 102.31 1cey n GLY 50 Ca 0.00 -0.19 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 1cey n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cey n TYR 51 N -0.51 2.13 0.00 1.61 4.02 -1.26 -4.75 117.16 118.40 1cey n TYR 51 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1cey n TYR 51 Cb 0.07 -2.70 0.00 0.00 -0.02 0.00 0.00 39.34 36.68 1cey n TYR 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1cey n GLY 52 N 5.28 -0.31 3.63 2.72 0.00 -1.08 -4.48 105.19 110.95 1cey n GLY 52 Ca 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.58 -0.83 -0.10 1.61 5.36 -0.59 -4.43 117.98 116.42 1cey s PHE 53 Ca 0.00 1.91 0.00 0.00 -0.96 0.00 0.00 56.93 57.88 1cey s PHE 53 Cb 0.00 0.37 0.02 0.00 -0.34 0.00 0.00 43.02 43.07 1cey s PHE 53 CO 0.00 -0.41 -0.08 0.08 -1.46 0.00 0.00 175.22 173.35 1cey s VAL 54 N 0.71 1.00 0.11 3.12 1.01 -1.01 -1.48 120.40 123.86 1cey s VAL 54 Ca -0.03 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1cey s VAL 54 Cb -0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1cey s VAL 54 CO -0.05 0.36 0.10 -0.63 0.00 0.00 0.00 175.10 174.87 1cey s ILE 55 N 1.48 4.53 0.02 2.22 1.01 -0.11 -2.30 121.20 128.07 1cey s ILE 55 Ca 0.01 -0.86 -0.28 0.00 0.00 0.00 0.00 60.65 59.51 1cey s ILE 55 Cb -0.13 -3.23 0.10 0.00 0.01 0.00 0.00 42.46 39.21 1cey s ILE 55 CO -0.05 0.05 0.93 -0.94 0.00 0.00 0.00 174.94 174.93 1cey s SER 56 N -2.62 -0.30 0.27 3.58 1.04 -1.26 -2.29 113.70 112.13 1cey s SER 56 Ca 0.30 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1cey s SER 56 Cb -0.12 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1cey s SER 56 CO 0.23 -0.66 0.00 -0.90 0.98 0.00 0.00 173.24 172.89 1cey n ASP 57 N -0.30 0.00 -3.88 7.02 5.68 -1.26 0.05 116.55 123.86 1cey n ASP 57 Ca -0.08 -0.82 -0.29 0.00 -0.50 0.00 0.00 54.79 53.10 1cey n ASP 57 Cb 0.61 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.43 1cey n ASP 57 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1cey s TRP 58 N 0.52 1.88 -0.11 2.11 -0.11 -1.22 -4.35 118.94 117.65 1cey s TRP 58 Ca 0.00 -1.35 -0.08 0.00 1.22 0.00 0.00 56.10 55.90 1cey s TRP 58 Cb 0.00 -1.38 0.03 0.00 -1.50 0.00 0.00 33.47 30.62 1cey s TRP 58 CO 0.00 -0.69 0.16 -1.71 -4.62 0.00 0.00 176.95 170.09 1cey n ASN 59 N 4.82 -3.08 0.00 5.86 5.15 -1.25 -4.90 115.26 121.86 1cey n ASN 59 Ca -0.11 1.24 0.00 0.00 -0.60 0.00 0.00 54.58 55.10 1cey n ASN 59 Cb 0.46 -3.95 0.00 0.00 -0.53 0.00 0.00 39.78 35.76 1cey n ASN 59 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1cey n MET 60 N 2.02 0.00 0.20 1.20 2.81 -1.26 -5.00 117.12 117.09 1cey n MET 60 Ca -0.26 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.49 1cey n MET 60 Cb 0.41 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.84 1cey n MET 60 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1cey h PRO 61 N 0.00 -0.48 0.00 0.03 0.14 -1.92 -3.46 132.00 126.31 1cey h PRO 61 Ca 0.00 0.03 0.00 0.00 0.14 0.00 0.00 66.00 66.17 1cey h PRO 61 Cb 0.00 0.11 0.00 0.00 0.14 0.00 0.00 31.00 31.25 1cey h PRO 61 CO 0.00 -0.19 0.00 0.27 0.14 0.00 0.00 178.00 178.22 1cey n ASN 62 N -5.20 0.00 -3.82 1.44 0.23 -1.26 -5.03 115.26 101.62 1cey n ASN 62 Ca -0.10 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 53.70 1cey n ASN 62 Cb 0.27 0.07 -0.07 0.00 -2.08 0.00 0.00 39.78 37.97 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 -1.53 0.54 -2.58 -3.83 2.81 -1.26 -5.09 117.12 106.18 1cey n MET 63 Ca 0.00 -3.53 -0.33 0.00 -1.81 0.00 0.00 57.70 52.03 1cey n MET 63 Cb 0.00 2.10 -0.05 0.00 -0.71 0.00 0.00 33.22 34.56 1cey n MET 63 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1cey s ASP 64 N -3.54 6.62 0.44 7.83 1.47 -1.26 -3.80 116.67 124.43 1cey s ASP 64 Ca 0.25 1.72 0.24 0.00 1.18 0.00 0.00 52.55 55.93 1cey s ASP 64 Cb 0.01 -2.53 0.41 0.00 -0.34 0.00 0.00 42.92 40.46 1cey s ASP 64 CO 0.18 -0.58 1.63 1.23 0.68 0.00 0.00 175.17 178.31 1cey h GLY 65 N 1.43 0.00 -0.24 2.12 0.00 -1.91 -3.19 103.07 101.28 1cey h GLY 65 Ca -0.48 0.00 0.31 0.00 0.00 0.00 0.00 47.33 47.16 1cey h GLY 65 CO 0.60 0.00 0.82 -2.00 0.00 0.00 0.00 176.54 175.97 1cey h LEU 66 N 0.00 0.00 0.00 3.11 5.85 -1.92 1.33 115.31 123.68 1cey h LEU 66 Ca -0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1cey h LEU 66 Cb 0.98 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 1cey h LEU 66 CO 0.00 0.00 -1.20 -0.08 -0.34 0.00 0.00 178.44 176.82 1cey h GLU 67 N 0.00 0.00 -0.63 1.25 4.57 -1.96 -2.62 114.58 115.19 1cey h GLU 67 Ca 0.51 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.75 1cey h GLU 67 Cb 2.15 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.70 1cey h GLU 67 CO -0.01 0.82 0.41 -0.07 -1.18 0.00 0.00 179.01 178.99 1cey h LEU 68 N 0.00 0.53 0.00 1.64 3.38 0.16 0.79 115.31 121.81 1cey h LEU 68 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1cey h LEU 68 Cb 1.83 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1cey h LEU 68 CO 0.11 0.34 -0.27 -0.07 0.09 0.00 0.00 178.44 178.64 1cey h LEU 69 N 0.60 0.00 -1.47 1.67 3.38 -1.53 -3.30 115.31 114.66 1cey h LEU 69 Ca 0.27 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.56 1cey h LEU 69 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1cey h LEU 69 CO -0.08 0.54 1.09 0.11 0.09 0.00 0.00 178.44 180.19 1cey h LYS 70 N -0.81 0.00 -0.19 1.13 1.79 -1.43 1.48 116.57 118.55 1cey h LYS 70 Ca 0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 1cey h LYS 70 Cb 0.27 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1cey h LYS 70 CO 0.00 0.00 -0.71 1.79 -1.08 0.00 0.00 179.45 179.45 1cey h THR 71 N 0.00 1.28 -0.37 -0.16 1.35 -0.96 -2.76 112.91 111.30 1cey h THR 71 Ca 0.53 -1.92 -0.03 0.00 -0.55 0.00 0.00 66.41 64.44 1cey h THR 71 Cb 2.70 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 70.99 1cey h THR 71 CO -0.01 0.61 0.13 0.40 -0.25 0.00 0.00 175.52 176.41 1cey h ILE 72 N 0.56 1.20 0.00 6.82 2.04 0.20 -2.23 117.51 126.09 1cey h ILE 72 Ca -0.03 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1cey h ILE 72 Cb 1.33 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1cey h ILE 72 CO 0.15 0.22 -0.05 0.03 0.00 0.00 0.00 178.15 178.50 1cey h ARG 73 N 0.45 0.00 -1.09 2.37 3.08 -1.46 -1.94 114.38 115.79 1cey h ARG 73 Ca 0.12 0.00 0.31 0.00 0.07 0.00 0.00 59.98 60.49 1cey h ARG 73 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1cey h ARG 73 CO -0.01 0.05 0.89 0.00 -1.07 0.00 0.00 179.97 179.84 1cey h ALA 74 N 1.95 2.97 -3.00 0.04 0.00 -1.09 -3.39 119.26 116.74 1cey h ALA 74 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1cey h ALA 74 Cb 0.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1cey h ALA 74 CO 0.01 -1.45 0.00 -3.47 0.00 0.00 0.00 179.25 174.33 1cey n ASP 75 N -3.89 0.00 0.00 0.00 2.03 -0.73 -5.06 116.55 108.90 1cey n ASP 75 Ca 0.23 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1cey n ASP 75 Cb 1.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.65 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 5.00 0.72 0.09 0.27 0.00 -1.26 -4.78 105.19 105.23 1cey n GLY 76 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.70 0.89 4.61 0.00 -1.26 -3.91 120.51 122.54 1cey n ALA 77 Ca 0.00 -0.66 0.11 0.00 0.00 0.00 0.00 53.44 52.89 1cey n ALA 77 Cb 0.00 -0.90 0.13 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.97 0.08 0.00 0.00 2.81 -1.26 -4.98 117.12 110.79 1cey n MET 78 Ca -0.14 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 1cey n MET 78 Cb 0.95 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 1cey n MET 78 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1cey n SER 79 N -1.63 0.00 -2.92 7.83 2.88 -1.25 -2.95 113.62 115.57 1cey n SER 79 Ca 0.04 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.46 1cey n SER 79 Cb 0.36 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.86 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cey n ALA 80 N 9.58 0.83 -1.04 -1.46 0.00 -1.26 -3.61 120.51 123.54 1cey n ALA 80 Ca 0.00 -2.39 -0.34 0.00 0.00 0.00 0.00 53.44 50.71 1cey n ALA 80 Cb 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.43 1cey n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cey n LEU 81 N 0.23 -4.10 -4.74 0.00 4.77 -1.15 -4.77 117.00 107.22 1cey n LEU 81 Ca 0.14 0.43 -0.41 0.00 -0.03 0.00 0.00 56.01 56.13 1cey n LEU 81 Cb 0.70 -0.73 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1cey n LEU 81 CO 0.12 -4.74 1.04 -2.65 -1.33 0.00 0.00 177.39 169.83 1cey n PRO 82 N 1.69 2.42 -4.26 3.23 -0.01 -1.26 -4.91 135.00 131.91 1cey n PRO 82 Ca 0.04 0.85 -0.21 0.00 -0.01 0.00 0.00 63.50 64.17 1cey n PRO 82 Cb 0.45 -2.54 -0.16 0.00 -0.01 0.00 0.00 33.50 31.24 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 1cey s VAL 83 N -1.12 0.65 -0.82 -1.45 1.01 -1.24 -2.41 120.40 115.02 1cey s VAL 83 Ca 0.55 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.34 1cey s VAL 83 Cb -0.51 -0.64 0.23 0.00 0.00 0.00 0.00 36.38 35.46 1cey s VAL 83 CO 0.63 0.24 0.82 -0.11 0.00 0.00 0.00 175.10 176.68 1cey n LEU 84 N 3.92 4.19 -4.20 3.92 7.94 -0.97 0.65 117.00 132.45 1cey n LEU 84 Ca -0.24 -5.25 -0.29 0.00 -1.11 0.00 0.00 56.01 49.11 1cey n LEU 84 Cb 0.51 -0.95 0.17 0.00 0.53 0.00 0.00 43.42 43.68 1cey n LEU 84 CO 0.24 1.75 -0.48 0.23 -1.11 0.00 0.00 177.39 178.03 1cey n MET 85 N 1.70 -1.82 -3.70 1.96 2.81 0.11 -4.07 117.12 114.10 1cey n MET 85 Ca 0.24 -0.52 -0.13 0.00 -1.81 0.00 0.00 57.70 55.48 1cey n MET 85 Cb 0.37 -1.62 -0.14 0.00 -0.71 0.00 0.00 33.22 31.13 1cey n MET 85 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1cey s VAL 86 N -2.18 -0.18 0.35 2.03 1.01 0.11 -2.48 120.40 119.05 1cey s VAL 86 Ca 0.51 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.66 1cey s VAL 86 Cb -0.09 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1cey s VAL 86 CO 0.58 0.09 0.52 0.28 0.00 0.00 0.00 175.10 176.58 1cey s THR 87 N 1.72 0.00 -0.01 3.92 -1.32 -1.07 -3.44 115.64 115.44 1cey s THR 87 Ca -0.05 -1.50 -0.00 0.00 -1.21 0.00 0.00 61.69 58.94 1cey s THR 87 Cb -0.11 -2.66 -0.00 0.00 -1.51 0.00 0.00 72.50 68.22 1cey s THR 87 CO -0.08 0.00 -0.01 0.00 -2.21 0.00 0.00 174.62 172.33 1cey n ALA 88 N -0.55 2.28 -3.00 11.08 0.00 -1.26 0.31 120.51 129.36 1cey n ALA 88 Ca -0.01 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1cey n ALA 88 Cb 0.61 0.49 0.01 0.00 0.00 0.00 0.00 19.45 20.56 1cey n ALA 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 89 N -2.66 4.47 -1.86 0.00 1.02 -1.26 -4.67 120.64 115.68 1cey n GLU 89 Ca -0.01 -4.56 -0.42 0.00 -0.02 0.00 0.00 57.16 52.15 1cey n GLU 89 Cb 0.51 -2.51 -0.03 0.00 -0.02 0.00 0.00 31.44 29.40 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cey s ALA 90 N -2.83 2.63 0.00 0.62 0.00 -1.26 -4.93 121.76 115.99 1cey s ALA 90 Ca 0.31 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1cey s ALA 90 Cb 0.05 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 19.08 1cey s ALA 90 CO 0.11 -3.00 0.00 1.17 0.00 0.00 0.00 175.76 174.04 1cey n LYS 91 N 8.66 0.00 0.00 0.00 4.81 -1.26 -5.04 118.16 125.33 1cey n LYS 91 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1cey n LYS 91 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 1cey n LYS 91 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1cey n LYS 92 N 0.00 0.00 0.17 1.64 4.81 -1.26 -4.85 118.16 118.67 1cey n LYS 92 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1cey n LYS 92 Cb 0.00 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.25 1cey n LYS 92 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1cey h GLU 93 N 0.00 0.00 0.00 1.64 4.81 -1.99 -1.42 114.58 117.62 1cey h GLU 93 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1cey h GLU 93 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1cey h GLU 93 CO 0.00 0.00 -0.28 -0.91 -0.73 0.00 0.00 179.01 177.09 1cey h ASN 94 N 0.00 0.00 -1.02 1.04 -0.26 -1.99 -3.07 115.58 110.29 1cey h ASN 94 Ca 0.00 0.00 0.26 0.00 -0.56 0.00 0.00 56.30 56.00 1cey h ASN 94 Cb 1.01 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 38.15 1cey h ASN 94 CO 0.00 0.44 0.61 0.40 -1.06 0.00 0.00 177.43 177.82 1cey h ILE 95 N -0.60 0.50 0.23 2.81 5.03 -1.62 0.91 117.51 124.77 1cey h ILE 95 Ca 0.00 -0.17 -0.01 0.00 -0.12 0.00 0.00 64.86 64.55 1cey h ILE 95 Cb 0.28 -0.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.01 1cey h ILE 95 CO 0.00 0.09 -0.11 0.40 -0.68 0.00 0.00 178.15 177.85 1cey h ILE 96 N 0.51 0.00 -0.74 -0.67 2.04 -1.50 0.35 117.51 117.50 1cey h ILE 96 Ca 0.65 -0.17 0.13 0.00 1.00 0.00 0.00 64.86 66.47 1cey h ILE 96 Cb 1.36 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.30 1cey h ILE 96 CO -0.46 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.38 1cey h ALA 97 N -1.68 0.15 -0.59 1.87 0.00 -1.34 0.32 119.26 117.99 1cey h ALA 97 Ca -0.03 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1cey h ALA 97 Cb 0.24 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1cey h ALA 97 CO 0.05 -0.59 0.37 0.00 0.00 0.00 0.00 179.25 179.08 1cey h ALA 98 N 1.30 0.76 -0.63 0.00 0.00 -0.90 -2.23 119.26 117.55 1cey h ALA 98 Ca 0.30 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.32 1cey h ALA 98 Cb 0.57 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 1cey h ALA 98 CO -0.79 0.12 0.05 0.00 0.00 0.00 0.00 179.25 178.63 1cey h ALA 99 N 1.25 0.68 -0.04 0.00 0.00 0.19 0.83 119.26 122.17 1cey h ALA 99 Ca 0.23 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.33 1cey h ALA 99 Cb -0.00 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1cey h ALA 99 CO -0.09 -0.37 0.06 1.96 0.00 0.00 0.00 179.25 180.81 1cey h GLN 100 N 0.17 0.00 0.00 0.00 4.20 -0.74 -3.38 115.11 115.36 1cey h GLN 100 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1cey h GLN 100 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1cey h GLN 100 CO -0.50 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.66 1cey n ALA 101 N -2.24 0.00 -0.15 3.87 0.00 0.29 -4.96 120.51 117.31 1cey n ALA 101 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1cey n ALA 101 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1cey n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 102 N 4.37 0.61 0.07 0.00 0.00 -1.14 -4.74 105.19 104.35 1cey n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.35 1.25 -0.30 4.61 0.00 -1.09 -3.65 120.51 120.99 1cey n ALA 103 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 1cey n ALA 103 Cb 0.04 -0.88 0.36 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.32 0.03 -4.32 0.00 7.64 -1.26 -3.77 113.62 111.62 1cey n SER 104 Ca 0.00 0.52 -0.33 0.00 1.01 0.00 0.00 58.87 60.08 1cey n SER 104 Cb 0.00 -0.26 -0.15 0.00 -1.01 0.00 0.00 64.21 62.79 1cey n SER 104 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cey s GLY 105 N -3.46 1.47 -0.20 0.23 0.00 0.21 -4.96 107.32 100.62 1cey s GLY 105 Ca -0.03 -0.92 -0.04 0.00 0.00 0.00 0.00 44.72 43.74 1cey s GLY 105 CO 0.41 -0.23 0.22 -0.47 0.00 0.00 0.00 173.10 173.02 1cey s TYR 106 N 0.35 -0.26 -0.20 1.90 5.04 -1.25 0.07 117.35 123.01 1cey s TYR 106 Ca -0.13 0.20 -0.04 0.00 -2.44 0.00 0.00 57.07 54.66 1cey s TYR 106 Cb -0.17 -0.37 -0.02 0.00 0.35 0.00 0.00 41.96 41.76 1cey s TYR 106 CO 0.07 -0.60 -0.03 0.54 -1.34 0.00 0.00 175.55 174.19 1cey s VAL 107 N 2.32 3.59 1.15 3.14 0.11 -1.04 -4.96 120.40 124.72 1cey s VAL 107 Ca 0.07 -0.43 -0.19 0.00 -2.93 0.00 0.00 61.98 58.50 1cey s VAL 107 Cb -0.16 -2.62 0.29 0.00 -1.53 0.00 0.00 36.38 32.37 1cey s VAL 107 CO -0.12 0.44 0.65 0.52 -3.33 0.00 0.00 175.10 173.26 1cey n VAL 108 N 4.40 0.00 -3.58 2.04 0.31 -1.26 -2.59 118.33 117.65 1cey n VAL 108 Ca -0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.03 1cey n VAL 108 Cb 0.51 -0.74 -0.04 0.00 -0.91 0.00 0.00 33.84 32.66 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 -4.45 1.08 0.81 5.55 -2.85 0.93 -4.47 119.74 116.35 1cey s LYS 109 Ca 0.50 -0.49 -0.11 0.00 -1.00 0.00 0.00 55.97 54.87 1cey s LYS 109 Cb -0.09 0.49 0.08 0.00 -2.06 0.00 0.00 37.83 36.25 1cey s LYS 109 CO 0.42 -0.42 1.09 -1.25 0.10 0.00 0.00 175.35 175.30 1cey s PRO 110 N -3.27 1.96 0.18 1.78 0.05 -1.26 -4.35 135.00 130.09 1cey s PRO 110 Ca -0.01 0.70 0.07 0.00 0.05 0.00 0.00 61.00 61.81 1cey s PRO 110 Cb 0.00 -1.90 -0.05 0.00 0.05 0.00 0.00 34.50 32.61 1cey s PRO 110 CO -0.08 -1.72 -0.14 -0.59 0.05 0.00 0.00 177.00 174.52 1cey s PHE 111 N -3.10 1.59 0.12 0.56 -0.12 -1.26 -5.07 117.98 110.69 1cey s PHE 111 Ca 0.61 -0.61 -0.12 0.00 -0.05 0.00 0.00 56.93 56.77 1cey s PHE 111 Cb -0.15 -0.76 -0.06 0.00 -0.63 0.00 0.00 43.02 41.42 1cey s PHE 111 CO 0.55 0.28 0.48 0.99 -0.05 0.00 0.00 175.22 177.46 1cey s THR 112 N -2.94 4.98 0.66 -4.49 2.01 -1.26 -4.79 115.64 109.80 1cey s THR 112 Ca 0.20 0.62 0.17 0.00 0.31 0.00 0.00 61.69 62.98 1cey s THR 112 Cb -0.01 -3.68 0.18 0.00 0.01 0.00 0.00 72.50 69.00 1cey s THR 112 CO 0.05 0.24 1.50 0.00 -0.69 0.00 0.00 174.62 175.72 1cey h ALA 113 N 3.55 1.72 0.14 7.40 0.00 -1.99 2.05 119.26 132.13 1cey h ALA 113 Ca -0.49 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.12 1cey h ALA 113 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1cey h ALA 113 CO 0.66 -0.69 -1.44 0.00 0.00 0.00 0.00 179.25 177.78 1cey h ALA 114 N 0.74 0.17 0.51 0.00 0.00 -1.98 -2.20 119.26 116.50 1cey h ALA 114 Ca 0.03 -1.02 -0.02 0.00 0.00 0.00 0.00 54.91 53.90 1cey h ALA 114 Cb 1.35 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1cey h ALA 114 CO -0.00 1.04 -0.24 1.15 0.00 0.00 0.00 179.25 181.20 1cey h THR 115 N 0.08 0.02 -0.70 0.00 2.02 0.29 0.57 112.91 115.19 1cey h THR 115 Ca -0.21 -0.51 0.15 0.00 0.77 0.00 0.00 66.41 66.61 1cey h THR 115 Cb 2.02 0.03 -0.11 0.00 -1.74 0.00 0.00 68.15 68.35 1cey h THR 115 CO 0.19 0.00 0.12 0.25 0.37 0.00 0.00 175.52 176.45 1cey h LEU 116 N -1.18 -0.09 -0.15 2.58 6.46 -1.24 -0.19 115.31 121.50 1cey h LEU 116 Ca -0.07 0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1cey h LEU 116 Cb 0.53 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.65 1cey h LEU 116 CO 0.11 -0.07 -0.09 -0.08 -0.62 0.00 0.00 178.44 177.70 1cey h GLU 117 N 0.21 -0.08 0.02 1.25 4.22 -1.33 -1.88 114.58 116.99 1cey h GLU 117 Ca 0.39 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.84 1cey h GLU 117 Cb 0.66 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1cey h GLU 117 CO -0.53 -0.05 -0.08 1.49 -2.18 0.00 0.00 179.01 177.66 1cey h GLU 118 N -0.08 -0.11 -1.21 1.92 4.81 0.97 -1.04 114.58 119.84 1cey h GLU 118 Ca 0.09 0.01 0.36 0.00 -0.13 0.00 0.00 59.36 59.69 1cey h GLU 118 Cb 0.22 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.52 1cey h GLU 118 CO -0.21 -0.07 0.80 0.87 -0.73 0.00 0.00 179.01 179.66 1cey h LYS 119 N -0.12 0.20 0.36 1.92 1.79 -1.40 -1.81 116.57 117.51 1cey h LYS 119 Ca -0.00 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1cey h LYS 119 Cb 0.12 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1cey h LYS 119 CO -0.04 0.13 -0.17 1.25 -1.08 0.00 0.00 179.45 179.54 1cey h LEU 120 N 0.20 -0.40 -1.88 2.94 5.85 -0.38 -2.65 115.31 118.99 1cey h LEU 120 Ca 0.70 0.01 0.38 0.00 0.84 0.00 0.00 57.88 59.82 1cey h LEU 120 Cb 2.14 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 43.22 1cey h LEU 120 CO -0.31 -0.26 1.02 0.78 -0.34 0.00 0.00 178.44 179.33 1cey h ASN 121 N -0.55 0.00 -0.10 1.25 2.35 -0.43 0.26 115.58 118.37 1cey h ASN 121 Ca -0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1cey h ASN 121 Cb 0.37 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 1cey h ASN 121 CO 0.08 0.00 -0.07 0.50 -1.65 0.00 0.00 177.43 176.29 1cey h LYS 122 N 0.00 0.22 -0.33 0.81 3.64 -1.18 -2.80 116.57 116.93 1cey h LYS 122 Ca 0.62 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.75 1cey h LYS 122 Cb 2.65 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 34.46 1cey h LYS 122 CO -0.01 0.61 -0.38 0.82 -2.27 0.00 0.00 179.45 178.22 1cey h ILE 123 N -0.17 1.28 0.00 2.00 2.04 -0.20 -2.66 117.51 119.80 1cey h ILE 123 Ca 0.02 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1cey h ILE 123 Cb 0.56 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1cey h ILE 123 CO 0.02 0.51 0.00 0.49 0.00 0.00 0.00 178.15 179.17 1cey n PHE 124 N -4.05 0.00 0.21 1.37 3.01 -0.41 -1.84 117.46 115.75 1cey n PHE 124 Ca -0.02 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.54 1cey n PHE 124 Cb 0.53 -0.24 0.30 0.00 -0.01 0.00 0.00 39.48 40.06 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 0.00 0.00 -1.08 4.81 -1.19 0.38 114.58 117.50 1cey h GLU 125 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1cey h GLU 125 Cb 0.12 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1cey h GLU 125 CO 0.00 0.17 -1.85 1.17 -0.73 0.00 0.00 179.01 177.78 1cey n LYS 126 N -3.20 0.65 0.03 1.92 4.81 -0.77 -4.19 118.16 117.40 1cey n LYS 126 Ca 0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.34 1cey n LYS 126 Cb 0.51 -1.63 -0.14 0.00 0.02 0.00 0.00 35.03 33.79 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1cey h LEU 127 N 0.00 0.16 -3.25 3.14 7.12 -1.38 -3.49 115.31 117.61 1cey h LEU 127 Ca -0.20 -0.26 -0.19 0.00 0.13 0.00 0.00 57.88 57.37 1cey h LEU 127 Cb 1.51 -0.05 0.01 0.00 -0.53 0.00 0.00 40.66 41.59 1cey h LEU 127 CO 0.02 1.22 -1.05 0.61 -0.13 0.00 0.00 178.44 179.11 1cey n GLY 128 N 1.58 -0.40 0.48 3.75 0.00 0.13 -5.08 105.19 105.67 1cey n GLY 128 Ca -0.14 0.73 0.14 0.00 0.00 0.00 0.00 46.02 46.75 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35