#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 -8.54 -0.70 0.00 -0.08 -1.26 -4.67 116.55 101.31 1cey n ASP 3 Ca 0.00 1.19 0.06 0.00 -1.51 0.00 0.00 54.79 54.53 1cey n ASP 3 Cb 0.00 -4.39 0.18 0.00 2.34 0.00 0.00 41.12 39.25 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 0.15 1.87 -2.69 -0.67 4.76 -1.26 -4.23 118.16 116.08 1cey n LYS 4 Ca 0.00 -1.36 -0.07 0.00 -2.87 0.00 0.00 58.31 54.02 1cey n LYS 4 Cb 0.00 -1.30 0.07 0.00 -1.84 0.00 0.00 35.03 31.96 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1cey n GLU 5 N 0.60 1.25 -2.45 1.97 1.02 -1.26 -1.91 120.64 119.85 1cey n GLU 5 Ca 0.13 -2.67 -0.43 0.00 -0.02 0.00 0.00 57.16 54.17 1cey n GLU 5 Cb 0.32 -0.78 -0.02 0.00 -0.02 0.00 0.00 31.44 30.94 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1cey s LEU 6 N -3.30 3.93 -0.03 -4.62 2.96 -1.26 -4.82 118.68 111.54 1cey s LEU 6 Ca 0.24 1.25 -0.32 0.00 -0.22 0.00 0.00 54.13 55.08 1cey s LEU 6 Cb 0.42 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.47 1cey s LEU 6 CO -0.02 -1.01 1.93 0.29 -1.32 0.00 0.00 176.35 176.21 1cey n LYS 7 N 7.16 2.52 -4.48 1.98 5.02 -1.26 -4.71 118.16 124.38 1cey n LYS 7 Ca 0.14 0.92 -0.33 0.00 -2.02 0.00 0.00 58.31 57.03 1cey n LYS 7 Cb 0.46 -2.82 -0.10 0.00 -0.02 0.00 0.00 35.03 32.55 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 4.23 2.91 -0.26 2.13 0.40 -0.80 -1.99 117.98 124.60 1cey s PHE 8 Ca 0.91 -0.02 -0.00 0.00 -0.60 0.00 0.00 56.93 57.22 1cey s PHE 8 Cb -0.57 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.37 1cey s PHE 8 CO 0.47 0.37 -0.08 -1.17 0.70 0.00 0.00 175.22 175.51 1cey s LEU 9 N -1.30 3.31 -0.61 -0.37 2.96 -0.79 -1.58 118.68 120.30 1cey s LEU 9 Ca 0.16 -1.09 -0.17 0.00 -0.22 0.00 0.00 54.13 52.82 1cey s LEU 9 Cb -0.11 -1.62 0.14 0.00 0.50 0.00 0.00 46.19 45.09 1cey s LEU 9 CO 0.06 -0.16 0.63 -0.69 -1.32 0.00 0.00 176.35 174.87 1cey s VAL 10 N 1.24 5.13 -0.95 1.68 1.01 -1.06 0.36 120.40 127.83 1cey s VAL 10 Ca -0.03 -1.49 -0.18 0.00 0.00 0.00 0.00 61.98 60.27 1cey s VAL 10 Cb -0.18 -4.42 0.14 0.00 0.00 0.00 0.00 36.38 31.92 1cey s VAL 10 CO -0.05 -1.00 1.13 -0.69 0.00 0.00 0.00 175.10 174.50 1cey s VAL 11 N 1.76 4.80 -0.14 2.92 1.01 -0.31 -2.47 120.40 127.97 1cey s VAL 11 Ca 0.09 -1.71 -0.10 0.00 0.00 0.00 0.00 61.98 60.26 1cey s VAL 11 Cb -0.24 -4.77 0.05 0.00 0.00 0.00 0.00 36.38 31.41 1cey s VAL 11 CO 0.02 -1.49 0.36 -0.62 0.00 0.00 0.00 175.10 173.37 1cey s ASP 12 N 3.50 -0.41 0.00 3.32 -1.08 -1.13 -3.47 116.67 117.40 1cey s ASP 12 Ca 0.33 0.76 0.26 0.00 -0.52 0.00 0.00 52.55 53.38 1cey s ASP 12 Cb -0.05 0.71 1.12 0.00 -1.46 0.00 0.00 42.92 43.24 1cey s ASP 12 CO -0.09 -0.16 1.77 0.47 0.52 0.00 0.00 175.17 177.69 1cey n ASP 13 N 3.55 1.17 -4.77 -0.34 9.92 -1.26 -4.79 116.55 120.02 1cey n ASP 13 Ca -0.18 -1.46 -0.41 0.00 -0.53 0.00 0.00 54.79 52.21 1cey n ASP 13 Cb 0.56 -0.03 -0.02 0.00 -0.64 0.00 0.00 41.12 41.00 1cey n ASP 13 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1cey s PHE 14 N -1.95 2.98 -0.60 1.24 5.36 -1.26 -4.89 117.98 118.87 1cey s PHE 14 Ca 0.37 1.39 0.08 0.00 -0.96 0.00 0.00 56.93 57.81 1cey s PHE 14 Cb 0.20 -3.71 0.46 0.00 -0.34 0.00 0.00 43.02 39.62 1cey s PHE 14 CO 0.31 -1.99 1.21 0.43 -1.46 0.00 0.00 175.22 173.72 1cey n SER 15 N 0.70 3.65 0.00 6.13 7.64 -1.26 -4.02 113.62 126.46 1cey n SER 15 Ca 0.00 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.37 1cey n SER 15 Cb 0.42 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.36 0.00 0.38 0.44 -2.24 -1.26 -4.84 114.28 107.11 1cey n THR 16 Ca 0.16 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.77 1cey n THR 16 Cb 0.78 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.94 -1.13 -0.78 -1.53 -1.97 -1.63 114.93 106.95 1cey h MET 17 Ca 0.00 0.06 0.32 0.00 -3.44 0.00 0.00 59.70 56.65 1cey h MET 17 Cb 0.00 0.21 -0.10 0.00 -0.55 0.00 0.00 31.60 31.16 1cey h MET 17 CO 0.00 -0.60 0.73 0.07 0.14 0.00 0.00 176.91 177.25 1cey h ARG 18 N -1.16 0.27 -0.33 0.39 0.11 -1.89 0.55 114.38 112.31 1cey h ARG 18 Ca -0.10 -0.02 -0.17 0.00 0.10 0.00 0.00 59.98 59.79 1cey h ARG 18 Cb 0.77 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.78 1cey h ARG 18 CO 0.16 0.18 -0.47 0.00 0.10 0.00 0.00 179.97 179.95 1cey h ARG 19 N 0.28 0.89 0.56 0.08 3.08 -1.81 -1.11 114.38 116.35 1cey h ARG 19 Ca 0.67 -0.51 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 1cey h ARG 19 Cb 1.88 0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.97 1cey h ARG 19 CO -0.33 1.15 -0.27 0.82 -1.07 0.00 0.00 179.97 180.27 1cey h ILE 20 N 0.70 0.45 -0.24 2.04 2.04 0.11 -2.78 117.51 119.83 1cey h ILE 20 Ca 0.04 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 1cey h ILE 20 Cb 1.06 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1cey h ILE 20 CO 0.11 0.00 -0.20 0.58 0.00 0.00 0.00 178.15 178.64 1cey h VAL 21 N -0.76 1.24 -0.12 1.67 2.07 -1.43 -1.19 116.25 117.73 1cey h VAL 21 Ca -0.08 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.36 1cey h VAL 21 Cb 0.58 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1cey h VAL 21 CO 0.13 0.36 -0.23 0.03 0.02 0.00 0.00 177.57 177.88 1cey h ARG 22 N 0.39 -0.28 0.33 1.57 3.08 -1.00 0.19 114.38 118.67 1cey h ARG 22 Ca 0.07 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1cey h ARG 22 Cb 0.57 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1cey h ARG 22 CO 0.04 -0.19 -0.16 -0.97 -1.07 0.00 0.00 179.97 177.62 1cey h ASN 23 N -0.29 -0.38 -0.90 7.04 -1.24 -1.39 -2.22 115.58 116.19 1cey h ASN 23 Ca 0.10 -0.17 0.11 0.00 0.71 0.00 0.00 56.30 57.05 1cey h ASN 23 Cb 0.44 0.10 -0.13 0.00 0.73 0.00 0.00 38.32 39.46 1cey h ASN 23 CO -0.29 0.05 -0.49 0.25 -1.29 0.00 0.00 177.43 175.66 1cey h LEU 24 N -0.91 -1.78 -0.18 0.34 5.85 -1.06 0.88 115.31 118.45 1cey h LEU 24 Ca -0.05 0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1cey h LEU 24 Cb 0.52 0.83 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 1cey h LEU 24 CO 0.08 -0.28 0.08 -0.07 -0.34 0.00 0.00 178.44 177.91 1cey h LEU 25 N -0.06 0.12 -2.06 2.25 3.38 -1.02 -0.90 115.31 117.02 1cey h LEU 25 Ca 0.23 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.28 1cey h LEU 25 Cb 0.51 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1cey h LEU 25 CO -0.90 0.09 0.18 0.50 0.09 0.00 0.00 178.44 178.41 1cey h LYS 26 N 0.18 0.00 -0.16 1.13 3.64 0.17 0.13 116.57 121.66 1cey h LYS 26 Ca 0.07 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1cey h LYS 26 Cb 0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1cey h LYS 26 CO -0.06 0.00 0.11 1.49 -2.27 0.00 0.00 179.45 178.73 1cey h GLU 27 N 0.00 0.11 0.00 1.90 4.81 0.20 -3.15 114.58 118.46 1cey h GLU 27 Ca 0.11 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1cey h GLU 27 Cb 0.48 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1cey h GLU 27 CO -0.00 0.07 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.28 1cey h LEU 28 N 0.12 -0.01 0.00 1.64 4.07 -0.72 -3.48 115.31 116.93 1cey h LEU 28 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1cey h LEU 28 Cb 0.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1cey h LEU 28 CO -0.01 0.16 0.00 0.61 -1.08 0.00 0.00 178.44 178.12 1cey n GLY 29 N 1.89 0.00 3.92 0.83 0.00 -1.10 -5.14 105.19 105.59 1cey n GLY 29 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 3.49 -0.42 1.61 0.08 -1.22 -4.28 117.98 117.25 1cey s PHE 30 Ca 0.00 0.32 0.09 0.00 0.12 0.00 0.00 56.93 57.46 1cey s PHE 30 Cb 0.00 -1.82 0.33 0.00 -0.57 0.00 0.00 43.02 40.96 1cey s PHE 30 CO 0.00 0.48 0.92 -1.71 -0.10 0.00 0.00 175.22 174.81 1cey n ASN 31 N -0.21 -0.78 -3.15 1.36 5.15 -0.80 -4.38 115.26 112.45 1cey n ASN 31 Ca -0.05 -3.35 0.05 0.00 -0.60 0.00 0.00 54.58 50.64 1cey n ASN 31 Cb 0.53 0.66 -0.00 0.00 -0.53 0.00 0.00 39.78 40.44 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1cey s ASN 32 N -1.84 -0.43 0.03 1.20 3.04 -1.26 -4.90 114.94 110.78 1cey s ASN 32 Ca 0.31 0.07 -0.14 0.00 0.04 0.00 0.00 52.86 53.13 1cey s ASN 32 Cb 0.32 1.28 0.02 0.00 -1.54 0.00 0.00 41.25 41.33 1cey s ASN 32 CO -0.07 -0.08 0.31 0.54 -3.04 0.00 0.00 177.10 174.77 1cey s VAL 33 N 2.96 0.07 0.00 -5.21 0.11 -1.26 -1.91 120.40 115.16 1cey s VAL 33 Ca 0.25 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 1cey s VAL 33 Cb -0.03 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 1cey s VAL 33 CO -0.22 -0.34 0.00 -0.62 -3.33 0.00 0.00 175.10 170.59 1cey n GLU 34 N 0.73 1.66 -3.75 1.54 -0.58 -0.61 -4.95 120.64 114.68 1cey n GLU 34 Ca -0.19 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.41 1cey n GLU 34 Cb 0.59 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.36 1cey n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1cey s GLU 35 N -1.24 0.57 0.00 3.49 2.12 -1.26 -2.55 118.70 119.83 1cey s GLU 35 Ca 0.00 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.44 1cey s GLU 35 Cb 0.00 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.65 1cey s GLU 35 CO 0.00 -0.13 0.00 0.00 -0.54 0.00 0.00 175.26 174.59 1cey n ALA 36 N 1.96 0.00 -1.06 6.30 0.00 -1.03 -4.95 120.51 121.74 1cey n ALA 36 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1cey n ALA 36 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 0.00 -3.12 0.00 0.28 -1.26 -2.83 120.64 113.70 1cey n GLU 37 Ca 0.00 -0.30 0.00 0.00 -0.16 0.00 0.00 57.16 56.70 1cey n GLU 37 Cb 0.00 -0.47 0.00 0.00 1.43 0.00 0.00 31.44 32.40 1cey n GLU 37 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1cey n ASP 38 N 0.00 0.00 -0.11 -1.84 5.68 -1.26 -4.80 116.55 114.22 1cey n ASP 38 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 1cey n ASP 38 Cb 0.41 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.36 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1cey h GLY 39 N 0.00 0.92 1.32 6.12 0.00 -1.96 0.22 103.07 109.68 1cey h GLY 39 Ca 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 47.33 46.38 1cey h GLY 39 CO 0.00 0.85 0.38 -2.08 0.00 0.00 0.00 176.54 175.69 1cey h VAL 40 N 0.63 1.19 0.09 4.60 2.07 -1.98 0.26 116.25 123.10 1cey h VAL 40 Ca 0.05 -0.46 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 1cey h VAL 40 Cb 0.94 0.29 0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1cey h VAL 40 CO 0.09 0.21 -0.63 -0.78 0.02 0.00 0.00 177.57 176.48 1cey h ASP 41 N 0.91 0.40 -0.57 0.57 1.82 -1.88 -2.68 116.42 114.99 1cey h ASP 41 Ca 0.24 -0.92 -0.01 0.00 -0.39 0.00 0.00 57.03 55.95 1cey h ASP 41 Cb -0.00 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 39.85 1cey h ASP 41 CO -0.04 1.28 0.32 0.00 -1.61 0.00 0.00 179.24 179.19 1cey h ALA 42 N 0.12 0.73 -0.59 -0.78 0.00 -0.33 0.12 119.26 118.53 1cey h ALA 42 Ca -0.10 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1cey h ALA 42 Cb 1.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1cey h ALA 42 CO 0.12 0.23 0.02 -0.07 0.00 0.00 0.00 179.25 179.55 1cey h LEU 43 N 0.77 0.98 -0.75 0.00 3.38 -0.60 0.38 115.31 119.47 1cey h LEU 43 Ca 0.20 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1cey h LEU 43 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1cey h LEU 43 CO -0.03 1.02 -0.28 0.78 0.09 0.00 0.00 178.44 180.02 1cey h ASN 44 N 0.93 0.00 0.55 -0.43 2.35 -1.10 -3.23 115.58 114.66 1cey h ASN 44 Ca 0.17 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.66 1cey h ASN 44 Cb 0.51 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.84 1cey h ASN 44 CO 0.02 0.28 -1.62 0.29 -1.65 0.00 0.00 177.43 174.76 1cey n LYS 45 N -3.33 0.63 0.10 0.81 5.02 0.37 -3.80 118.16 117.96 1cey n LYS 45 Ca 0.01 0.28 0.07 0.00 -2.02 0.00 0.00 58.31 56.65 1cey n LYS 45 Cb 0.52 -1.80 0.38 0.00 -0.02 0.00 0.00 35.03 34.10 1cey n LYS 45 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1cey n LEU 46 N -3.01 0.36 0.00 -0.35 4.32 0.09 -0.11 117.00 118.29 1cey n LEU 46 Ca -0.15 0.66 0.10 0.00 -0.02 0.00 0.00 56.01 56.60 1cey n LEU 46 Cb 1.00 -0.71 0.48 0.00 -1.62 0.00 0.00 43.42 42.57 1cey n LEU 46 CO 0.44 -0.77 0.81 1.67 -1.22 0.00 0.00 177.39 178.32 1cey n GLN 47 N -1.98 0.21 0.00 3.23 -0.06 -1.25 -3.01 117.38 114.52 1cey n GLN 47 Ca -0.01 0.12 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 1cey n GLN 47 Cb 0.03 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.71 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cey n ALA 48 N -1.34 -0.20 -1.60 1.69 0.00 0.84 -4.55 120.51 115.35 1cey n ALA 48 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1cey n ALA 48 Cb 0.18 0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.67 0.91 0.00 0.00 -1.25 -5.08 105.19 98.12 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 -1.75 3.79 -0.02 0.00 -1.16 -5.02 105.19 101.02 1cey n GLY 50 Ca 0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 3.01 -0.85 1.61 1.51 -1.26 -4.90 117.35 116.46 1cey s TYR 51 Ca 0.00 1.58 0.15 0.00 -1.01 0.00 0.00 57.07 57.80 1cey s TYR 51 Cb 0.00 -3.13 -0.13 0.00 -0.11 0.00 0.00 41.96 38.58 1cey s TYR 51 CO 0.00 -0.93 0.68 0.41 -1.11 0.00 0.00 175.55 174.60 1cey n GLY 52 N -0.01 -0.35 3.12 0.71 0.00 -1.17 -4.92 105.19 102.58 1cey n GLY 52 Ca 0.08 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.32 -0.43 -0.11 1.61 5.36 -0.84 -3.78 117.98 117.48 1cey s PHE 53 Ca 0.07 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 57.01 1cey s PHE 53 Cb 0.12 0.12 0.02 0.00 -0.34 0.00 0.00 43.02 42.93 1cey s PHE 53 CO 0.58 -0.28 -0.10 0.08 -1.46 0.00 0.00 175.22 174.04 1cey s VAL 54 N 1.37 1.17 -0.14 3.12 1.01 -1.09 -1.89 120.40 123.94 1cey s VAL 54 Ca -0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 1cey s VAL 54 Cb -0.10 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1cey s VAL 54 CO -0.10 0.38 -0.01 -0.63 0.00 0.00 0.00 175.10 174.75 1cey s ILE 55 N 1.37 4.18 -0.10 2.22 1.01 0.16 -2.09 121.20 127.95 1cey s ILE 55 Ca -0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 1cey s ILE 55 Cb -0.14 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.54 1cey s ILE 55 CO -0.05 0.51 0.33 -0.94 0.00 0.00 0.00 174.94 174.79 1cey s SER 56 N 0.07 -0.31 -0.09 3.58 1.04 -1.26 -1.16 113.70 115.56 1cey s SER 56 Ca 0.01 0.54 -0.30 0.00 0.48 0.00 0.00 55.95 56.69 1cey s SER 56 Cb -0.13 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1cey s SER 56 CO 0.02 -0.20 1.26 -0.62 0.98 0.00 0.00 173.24 174.68 1cey s ASP 57 N -0.18 6.98 -0.56 7.02 2.15 -1.23 -2.14 116.67 128.72 1cey s ASP 57 Ca -0.03 1.81 -0.26 0.00 0.43 0.00 0.00 52.55 54.50 1cey s ASP 57 Cb -0.03 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 39.97 1cey s ASP 57 CO 0.01 -0.68 2.33 0.86 -0.17 0.00 0.00 175.17 177.53 1cey s TRP 58 N 2.79 1.17 0.22 -5.34 -0.11 -1.03 -4.37 118.94 112.27 1cey s TRP 58 Ca 0.57 1.51 0.00 0.00 1.22 0.00 0.00 56.10 59.40 1cey s TRP 58 Cb -0.24 -3.63 0.00 0.00 -1.50 0.00 0.00 33.47 28.09 1cey s TRP 58 CO 0.20 -2.35 0.00 -1.71 -4.62 0.00 0.00 176.95 168.46 1cey n ASN 59 N 15.87 -8.24 0.00 5.86 4.05 -1.26 -4.86 115.26 126.68 1cey n ASN 59 Ca 0.36 1.21 0.00 0.00 0.45 0.00 0.00 54.58 56.60 1cey n ASN 59 Cb 0.53 -4.54 0.00 0.00 1.23 0.00 0.00 39.78 37.00 1cey n ASN 59 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 177.26 175.01 1cey n MET 60 N 1.41 0.00 0.20 1.20 0.00 -1.25 -4.98 117.12 113.69 1cey n MET 60 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.70 57.56 1cey n MET 60 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.14 1cey n MET 60 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1cey h PRO 61 N 0.00 -0.49 0.00 2.12 0.14 -1.87 -3.46 132.00 128.43 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 -5.19 0.00 -3.52 1.44 6.94 -1.26 -5.12 115.26 108.54 1cey n ASN 62 Ca -0.10 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.25 1cey n ASN 62 Cb 0.28 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.64 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1cey n MET 63 N -0.10 0.69 -3.40 -3.83 2.81 -1.26 -5.13 117.12 106.90 1cey n MET 63 Ca 0.00 -2.84 -0.38 0.00 -1.81 0.00 0.00 57.70 52.68 1cey n MET 63 Cb 0.00 1.44 -0.06 0.00 -0.71 0.00 0.00 33.22 33.89 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 -3.07 6.64 0.00 7.83 -4.77 -1.26 -3.79 116.67 118.25 1cey s ASP 64 Ca 0.15 0.76 0.07 0.00 -3.30 0.00 0.00 52.55 50.23 1cey s ASP 64 Cb 0.01 -2.26 0.39 0.00 -1.09 0.00 0.00 42.92 39.98 1cey s ASP 64 CO 0.10 0.07 0.81 0.61 0.70 0.00 0.00 175.17 177.47 1cey n GLY 65 N 3.08 -0.25 0.03 2.12 0.00 -1.26 -3.35 105.19 105.55 1cey n GLY 65 Ca -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 1cey n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cey h LEU 66 N 0.00 -0.05 -1.86 0.99 5.85 -1.94 -0.81 115.31 117.50 1cey h LEU 66 Ca 0.00 0.00 0.45 0.00 0.84 0.00 0.00 57.88 59.17 1cey h LEU 66 Cb 0.00 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 1cey h LEU 66 CO 0.00 0.01 1.07 -0.33 -0.34 0.00 0.00 178.44 178.85 1cey h GLU 67 N -0.14 0.04 0.45 1.25 3.07 -1.97 0.93 114.58 118.20 1cey h GLU 67 Ca -0.01 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1cey h GLU 67 Cb 0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1cey h GLU 67 CO 0.01 0.02 -0.22 1.25 -1.40 0.00 0.00 179.01 178.68 1cey h LEU 68 N 0.04 -0.51 0.37 1.33 5.85 -1.66 -2.10 115.31 118.63 1cey h LEU 68 Ca 0.76 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.37 1cey h LEU 68 Cb 2.88 0.13 0.00 0.00 0.37 0.00 0.00 40.66 44.04 1cey h LEU 68 CO -0.10 -0.16 -0.18 0.25 -0.34 0.00 0.00 178.44 177.92 1cey h LEU 69 N -0.91 -0.42 -1.71 2.25 6.46 0.22 -2.47 115.31 118.74 1cey h LEU 69 Ca -0.06 0.01 0.53 0.00 -0.12 0.00 0.00 57.88 58.24 1cey h LEU 69 Cb 0.57 0.11 -0.11 0.00 -0.73 0.00 0.00 40.66 40.50 1cey h LEU 69 CO 0.10 -0.26 1.18 1.17 -0.62 0.00 0.00 178.44 180.01 1cey n LYS 70 N -3.53 -0.02 -0.08 1.25 4.81 0.72 0.26 118.16 121.57 1cey n LYS 70 Ca -0.06 1.17 -0.15 0.00 -0.87 0.00 0.00 58.31 58.40 1cey n LYS 70 Cb 0.19 -2.50 -0.04 0.00 0.02 0.00 0.00 35.03 32.71 1cey n LYS 70 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1cey h THR 71 N 0.00 1.27 -0.85 3.15 2.02 -1.10 -1.52 112.91 115.89 1cey h THR 71 Ca 0.92 -1.73 0.09 0.00 0.77 0.00 0.00 66.41 66.46 1cey h THR 71 Cb 3.36 1.62 -0.07 0.00 -1.74 0.00 0.00 68.15 71.31 1cey h THR 71 CO -0.22 0.57 0.50 0.40 0.37 0.00 0.00 175.52 177.13 1cey h ILE 72 N 0.68 0.93 -0.07 3.11 2.04 0.41 0.85 117.51 125.45 1cey h ILE 72 Ca 0.01 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1cey h ILE 72 Cb 1.16 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1cey h ILE 72 CO 0.12 0.15 0.00 -2.11 0.00 0.00 0.00 178.15 176.32 1cey n ARG 73 N -4.71 1.70 0.11 2.37 1.85 -1.03 -3.84 116.66 113.10 1cey n ARG 73 Ca 0.14 -1.02 -0.02 0.00 -1.00 0.00 0.00 57.85 55.94 1cey n ARG 73 Cb 0.27 -1.45 0.01 0.00 -1.05 0.00 0.00 32.46 30.24 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1cey h ALA 74 N 4.25 0.60 0.06 2.89 0.00 0.26 -3.24 119.26 124.07 1cey h ALA 74 Ca 0.00 -0.68 -0.25 0.00 0.00 0.00 0.00 54.91 53.98 1cey h ALA 74 Cb 0.50 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1cey h ALA 74 CO 0.00 0.93 -1.08 0.22 0.00 0.00 0.00 179.25 179.32 1cey h ASP 75 N 0.00 0.56 0.00 0.00 3.58 -1.65 -3.47 116.42 115.43 1cey h ASP 75 Ca -0.01 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1cey h ASP 75 Cb 1.48 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.35 1cey h ASP 75 CO 0.10 1.33 0.00 0.61 -2.88 0.00 0.00 179.24 178.39 1cey n GLY 76 N 1.18 3.02 0.19 -0.78 0.00 -1.23 -4.86 105.19 102.72 1cey n GLY 76 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey h ALA 77 N 0.00 -0.24 -0.32 4.61 0.00 -1.91 -1.16 119.26 120.24 1cey h ALA 77 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cey h ALA 77 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1cey h ALA 77 CO 0.00 -0.66 0.00 -1.33 0.00 0.00 0.00 179.25 177.26 1cey n MET 78 N -5.27 2.60 0.00 0.00 2.81 -1.26 -4.97 117.12 111.03 1cey n MET 78 Ca -0.07 -1.51 0.00 0.00 -1.81 0.00 0.00 57.70 54.31 1cey n MET 78 Cb 0.19 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.02 1cey n MET 78 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1cey n SER 79 N 0.41 0.00 -2.86 7.83 3.41 -0.44 -2.59 113.62 119.38 1cey n SER 79 Ca 0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.63 1cey n SER 79 Cb 0.59 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.59 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cey n ALA 80 N 8.36 1.19 -1.32 7.33 0.00 -1.26 -4.16 120.51 130.65 1cey n ALA 80 Ca 0.00 -2.35 -0.39 0.00 0.00 0.00 0.00 53.44 50.70 1cey n ALA 80 Cb 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.45 1cey n ALA 80 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1cey n LEU 81 N 0.10 -2.19 -4.65 0.00 -0.00 -1.07 -4.78 117.00 104.40 1cey n LEU 81 Ca 0.11 0.71 -0.41 0.00 -0.00 0.00 0.00 56.01 56.42 1cey n LEU 81 Cb 0.73 -0.95 0.01 0.00 -0.00 0.00 0.00 43.42 43.21 1cey n LEU 81 CO 0.11 -4.16 0.72 -2.65 -0.00 0.00 0.00 177.39 171.42 1cey n PRO 82 N 1.02 1.61 -4.12 1.47 -0.01 -1.25 -4.91 135.00 128.82 1cey n PRO 82 Ca 0.09 0.57 -0.20 0.00 -0.01 0.00 0.00 63.50 63.96 1cey n PRO 82 Cb 0.46 -2.18 -0.16 0.00 -0.01 0.00 0.00 33.50 31.61 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 -1.22 0.51 -0.89 -1.45 1.01 -1.25 -2.67 120.40 114.44 1cey s VAL 83 Ca 0.62 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.50 1cey s VAL 83 Cb -0.55 -0.55 0.27 0.00 0.00 0.00 0.00 36.38 35.55 1cey s VAL 83 CO 0.58 0.23 1.06 -0.11 0.00 0.00 0.00 175.10 176.85 1cey n LEU 84 N 4.14 4.99 -4.30 3.92 7.94 -0.89 0.89 117.00 133.69 1cey n LEU 84 Ca -0.23 -5.27 -0.32 0.00 -1.11 0.00 0.00 56.01 49.08 1cey n LEU 84 Cb 0.51 -1.03 0.18 0.00 0.53 0.00 0.00 43.42 43.61 1cey n LEU 84 CO 0.22 1.78 -0.41 0.23 -1.11 0.00 0.00 177.39 178.10 1cey n MET 85 N 1.42 -1.70 -3.75 1.96 2.81 0.17 -4.24 117.12 113.79 1cey n MET 85 Ca 0.26 -0.48 -0.15 0.00 -1.81 0.00 0.00 57.70 55.53 1cey n MET 85 Cb 0.37 -1.76 -0.16 0.00 -0.71 0.00 0.00 33.22 30.96 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 -2.26 -0.07 0.16 2.03 1.01 -0.91 -2.59 120.40 117.78 1cey s VAL 86 Ca 0.58 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 1cey s VAL 86 Cb -0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1cey s VAL 86 CO 0.66 0.09 0.13 -0.89 0.00 0.00 0.00 175.10 175.09 1cey s THR 87 N 1.21 0.07 -0.07 3.92 2.01 -0.99 -2.47 115.64 119.32 1cey s THR 87 Ca -0.08 -1.83 0.08 0.00 0.31 0.00 0.00 61.69 60.17 1cey s THR 87 Cb -0.12 -2.14 -0.11 0.00 0.01 0.00 0.00 72.50 70.14 1cey s THR 87 CO -0.04 -0.30 0.07 0.00 -0.69 0.00 0.00 174.62 173.65 1cey n ALA 88 N -0.17 1.91 -0.24 7.40 0.00 -1.26 0.25 120.51 128.40 1cey n ALA 88 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1cey n ALA 88 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.21 0.00 -2.01 0.00 1.02 -1.26 -4.80 120.64 111.39 1cey n GLU 89 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1cey n GLU 89 Cb 0.66 -0.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.70 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cey n ALA 90 N -2.26 -2.11 -1.72 0.62 0.00 -1.26 -5.05 120.51 108.73 1cey n ALA 90 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1cey n ALA 90 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1cey n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cey n LYS 91 N 1.77 0.00 0.00 0.00 4.76 -1.26 -5.07 118.16 118.36 1cey n LYS 91 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1cey n LYS 91 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1cey n LYS 91 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1cey n LYS 92 N -0.19 0.00 0.22 1.97 5.02 -1.26 -4.78 118.16 119.13 1cey n LYS 92 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1cey n LYS 92 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.25 1cey n LYS 92 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1cey h GLU 93 N 0.00 0.00 0.04 1.97 5.08 -2.00 1.32 114.58 120.99 1cey h GLU 93 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1cey h GLU 93 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1cey h GLU 93 CO 0.00 0.00 -1.79 -0.97 -1.00 0.00 0.00 179.01 175.25 1cey h ASN 94 N 0.00 0.14 0.96 1.42 -1.24 -1.99 -3.31 115.58 111.55 1cey h ASN 94 Ca 0.00 -0.30 -0.02 0.00 0.71 0.00 0.00 56.30 56.69 1cey h ASN 94 Cb 1.16 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 40.17 1cey h ASN 94 CO 0.00 1.27 -1.05 -0.38 -1.29 0.00 0.00 177.43 175.98 1cey n ILE 95 N -3.19 0.69 0.00 2.57 5.41 0.42 -3.66 119.36 121.60 1cey n ILE 95 Ca -0.21 -0.57 0.00 0.00 1.00 0.00 0.00 62.75 62.97 1cey n ILE 95 Cb 1.05 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 39.59 1cey n ILE 95 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1cey n ILE 96 N -2.70 0.00 -0.27 1.39 5.41 0.85 -0.91 119.36 123.13 1cey n ILE 96 Ca -0.01 0.68 0.01 0.00 1.00 0.00 0.00 62.75 64.43 1cey n ILE 96 Cb 0.58 -1.48 0.08 0.00 -0.71 0.00 0.00 39.64 38.11 1cey n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1cey h ALA 97 N -2.00 0.44 -0.06 -1.39 0.00 -1.79 0.32 119.26 114.79 1cey h ALA 97 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1cey h ALA 97 Cb 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1cey h ALA 97 CO 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 179.25 178.66 1cey h ALA 98 N 1.68 -0.12 -0.86 0.00 0.00 -1.68 -1.85 119.26 116.41 1cey h ALA 98 Ca 0.36 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.40 1cey h ALA 98 Cb 0.57 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 1cey h ALA 98 CO -0.80 -0.62 0.50 0.00 0.00 0.00 0.00 179.25 178.33 1cey h ALA 99 N 0.79 1.26 0.00 0.00 0.00 0.14 0.38 119.26 121.82 1cey h ALA 99 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1cey h ALA 99 Cb 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1cey h ALA 99 CO -0.18 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.21 1cey n GLN 100 N -4.73 0.06 0.00 0.00 3.00 0.31 -4.28 117.38 111.74 1cey n GLN 100 Ca 0.15 0.52 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 1cey n GLN 100 Cb 0.31 -1.67 0.00 0.00 0.00 0.00 0.00 30.24 28.88 1cey n GLN 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cey n ALA 101 N -1.61 0.00 -0.73 -1.58 0.00 0.13 -5.00 120.51 111.72 1cey n ALA 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cey n ALA 101 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 4.48 0.19 0.07 0.00 0.00 -1.21 -4.78 105.19 103.94 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 -0.01 1.25 -0.28 4.61 0.00 -1.18 -3.84 120.51 121.06 1cey n ALA 103 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 1cey n ALA 103 Cb 0.20 -0.88 0.35 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.31 0.04 -4.42 0.00 7.64 -1.26 -3.74 113.62 111.58 1cey n SER 104 Ca 0.00 0.53 -0.34 0.00 1.01 0.00 0.00 58.87 60.07 1cey n SER 104 Cb 0.00 -0.26 -0.13 0.00 -1.01 0.00 0.00 64.21 62.81 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 -3.47 1.66 -0.20 0.23 0.00 0.26 -4.96 107.32 100.84 1cey s GLY 105 Ca -0.03 -0.96 -0.04 0.00 0.00 0.00 0.00 44.72 43.70 1cey s GLY 105 CO 0.40 0.10 0.27 -0.47 0.00 0.00 0.00 173.10 173.39 1cey s TYR 106 N 0.78 -0.44 -0.16 1.90 5.04 -1.25 0.41 117.35 123.65 1cey s TYR 106 Ca -0.02 0.52 -0.04 0.00 -2.44 0.00 0.00 57.07 55.09 1cey s TYR 106 Cb -0.15 -0.20 -0.03 0.00 0.35 0.00 0.00 41.96 41.93 1cey s TYR 106 CO 0.02 -0.58 -0.03 0.54 -1.34 0.00 0.00 175.55 174.15 1cey s VAL 107 N 2.40 3.93 -0.90 3.14 0.11 -1.07 -4.97 120.40 123.04 1cey s VAL 107 Ca 0.07 -0.34 -0.24 0.00 -2.93 0.00 0.00 61.98 58.54 1cey s VAL 107 Cb -0.15 -2.73 0.05 0.00 -1.53 0.00 0.00 36.38 32.02 1cey s VAL 107 CO -0.12 0.49 1.35 0.54 -3.33 0.00 0.00 175.10 174.03 1cey s VAL 108 N 0.36 3.92 0.96 2.04 0.11 -1.26 -2.34 120.40 124.20 1cey s VAL 108 Ca -0.04 -0.39 -0.12 0.00 -2.93 0.00 0.00 61.98 58.50 1cey s VAL 108 Cb -0.14 -4.98 0.10 0.00 -1.53 0.00 0.00 36.38 29.83 1cey s VAL 108 CO 0.03 -1.87 0.69 2.29 -3.33 0.00 0.00 175.10 172.92 1cey n LYS 109 N 8.86 -0.58 -1.61 1.54 2.85 0.71 -4.62 118.16 125.31 1cey n LYS 109 Ca 0.21 -0.12 -0.30 0.00 -1.05 0.00 0.00 58.31 57.04 1cey n LYS 109 Cb 0.50 -2.06 0.06 0.00 -0.65 0.00 0.00 35.03 32.88 1cey n LYS 109 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1cey s PRO 110 N -4.04 2.63 0.04 -1.58 0.05 -1.26 -4.30 135.00 126.53 1cey s PRO 110 Ca 0.61 0.77 -0.05 0.00 0.05 0.00 0.00 61.00 62.38 1cey s PRO 110 Cb -0.21 -1.97 -0.01 0.00 0.05 0.00 0.00 34.50 32.35 1cey s PRO 110 CO 0.64 -1.27 0.09 -0.59 0.05 0.00 0.00 177.00 175.92 1cey s PHE 111 N -3.12 0.21 0.13 0.56 -0.12 -1.26 -5.07 117.98 109.31 1cey s PHE 111 Ca 0.59 -0.52 0.02 0.00 -0.05 0.00 0.00 56.93 56.97 1cey s PHE 111 Cb -0.14 -0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 1cey s PHE 111 CO 0.54 -0.37 0.26 0.99 -0.05 0.00 0.00 175.22 176.59 1cey s THR 112 N -2.66 5.26 -0.20 -4.49 2.01 -1.26 -4.86 115.64 109.43 1cey s THR 112 Ca -0.05 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.33 1cey s THR 112 Cb -0.01 -3.68 0.05 0.00 0.01 0.00 0.00 72.50 68.87 1cey s THR 112 CO -0.05 -0.05 0.94 0.00 -0.69 0.00 0.00 174.62 174.77 1cey n ALA 113 N -0.38 0.47 0.13 7.40 0.00 -1.26 0.11 120.51 126.98 1cey n ALA 113 Ca -0.07 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 1cey n ALA 113 Cb 0.53 -0.53 -0.16 0.00 0.00 0.00 0.00 19.45 19.30 1cey n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cey h ALA 114 N 0.91 -0.08 0.40 0.00 0.00 -1.98 -2.04 119.26 116.48 1cey h ALA 114 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 54.91 53.96 1cey h ALA 114 Cb 0.67 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1cey h ALA 114 CO 0.00 0.77 -0.19 1.79 0.00 0.00 0.00 179.25 181.62 1cey h THR 115 N 0.12 0.12 -0.99 0.00 1.35 0.44 -0.77 112.91 113.18 1cey h THR 115 Ca -0.28 -0.63 0.21 0.00 -0.55 0.00 0.00 66.41 65.16 1cey h THR 115 Cb 2.14 0.19 -0.10 0.00 -1.73 0.00 0.00 68.15 68.65 1cey h THR 115 CO 0.25 0.03 0.62 0.25 -0.25 0.00 0.00 175.52 176.42 1cey h LEU 116 N -1.11 0.64 0.12 3.87 5.85 -1.59 0.38 115.31 123.46 1cey h LEU 116 Ca -0.06 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1cey h LEU 116 Cb 0.46 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1cey h LEU 116 CO 0.09 0.20 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.25 1cey h GLU 117 N 0.60 -0.16 -0.40 1.25 4.22 -1.26 -0.33 114.58 118.51 1cey h GLU 117 Ca 0.57 0.01 0.05 0.00 0.08 0.00 0.00 59.36 60.07 1cey h GLU 117 Cb 1.11 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 1cey h GLU 117 CO -0.34 -0.09 -0.56 0.93 -2.18 0.00 0.00 179.01 176.77 1cey h GLU 118 N -0.18 -0.39 -0.34 1.92 5.08 0.62 0.23 114.58 121.52 1cey h GLU 118 Ca -0.02 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1cey h GLU 118 Cb 0.14 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1cey h GLU 118 CO 0.03 -0.26 0.06 0.87 -1.00 0.00 0.00 179.01 178.70 1cey h LYS 119 N -0.41 0.16 -0.07 2.33 1.57 -1.36 -0.20 116.57 118.60 1cey h LYS 119 Ca 0.07 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1cey h LYS 119 Cb 0.60 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1cey h LYS 119 CO -0.59 0.11 -0.10 1.25 -0.57 0.00 0.00 179.45 179.55 1cey h LEU 120 N 0.17 -0.33 -2.43 2.94 7.12 0.78 0.53 115.31 124.09 1cey h LEU 120 Ca 0.16 0.04 0.02 0.00 0.13 0.00 0.00 57.88 58.24 1cey h LEU 120 Cb 0.19 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1cey h LEU 120 CO -0.23 -0.07 0.16 0.78 -0.13 0.00 0.00 178.44 178.96 1cey h ASN 121 N -0.07 0.00 1.47 1.25 2.35 -0.85 0.49 115.58 120.21 1cey h ASN 121 Ca 0.01 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 1cey h ASN 121 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1cey h ASN 121 CO -0.11 0.00 -0.54 0.50 -1.65 0.00 0.00 177.43 175.63 1cey h LYS 122 N 0.00 0.00 0.11 0.81 3.64 0.17 -3.28 116.57 118.01 1cey h LYS 122 Ca 0.03 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.06 1cey h LYS 122 Cb 0.36 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1cey h LYS 122 CO -0.00 0.42 -1.94 -0.89 -2.27 0.00 0.00 179.45 174.76 1cey n ILE 123 N -3.17 1.76 0.32 2.00 5.41 0.14 -4.07 119.36 121.75 1cey n ILE 123 Ca 0.01 -0.68 0.15 0.00 1.00 0.00 0.00 62.75 63.23 1cey n ILE 123 Cb 0.72 -1.63 0.65 0.00 -0.71 0.00 0.00 39.64 38.66 1cey n ILE 123 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1cey h PHE 124 N 0.06 0.00 0.00 1.39 -1.00 -1.48 -2.02 116.94 113.89 1cey h PHE 124 Ca -0.40 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.36 1cey h PHE 124 Cb 2.03 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.59 1cey h PHE 124 CO 0.07 0.00 -0.08 1.05 -1.61 0.00 0.00 178.31 177.74 1cey h GLU 125 N 0.00 0.00 0.00 1.51 4.11 -1.70 0.49 114.58 118.99 1cey h GLU 125 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 1cey h GLU 125 Cb 0.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1cey h GLU 125 CO 0.00 0.08 -1.36 -0.22 0.07 0.00 0.00 179.01 177.58 1cey h LYS 126 N 0.00 0.00 0.00 1.06 3.64 -1.60 -3.27 116.57 116.40 1cey h LYS 126 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1cey h LYS 126 Cb 0.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1cey h LYS 126 CO 0.01 0.47 -0.29 1.25 -2.27 0.00 0.00 179.45 178.62 1cey h LEU 127 N 0.00 0.00 -2.50 5.20 5.85 -0.90 -3.47 115.31 119.49 1cey h LEU 127 Ca -0.17 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1cey h LEU 127 Cb 1.74 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.80 1cey h LEU 127 CO 0.07 0.29 -0.12 0.61 -0.34 0.00 0.00 178.44 178.95 1cey n GLY 128 N -0.10 -1.02 0.48 3.75 0.00 -0.03 -5.09 105.19 103.18 1cey n GLY 128 Ca -0.01 0.36 0.14 0.00 0.00 0.00 0.00 46.02 46.51 1cey n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47