#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 -1.78 -0.90 0.00 2.03 -1.26 -4.80 116.55 109.84 1cey n ASP 3 Ca 0.00 0.85 0.05 0.00 0.52 0.00 0.00 54.79 56.21 1cey n ASP 3 Cb 0.00 -1.01 0.18 0.00 -0.72 0.00 0.00 41.12 39.57 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 0.88 2.32 -2.69 -0.67 5.02 -1.26 -4.01 118.16 117.75 1cey n LYS 4 Ca 0.11 -1.45 -0.09 0.00 -2.02 0.00 0.00 58.31 54.87 1cey n LYS 4 Cb 0.40 -1.53 0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1cey n GLU 5 N 0.48 1.16 -2.59 1.97 4.71 -1.26 -1.86 120.64 123.25 1cey n GLU 5 Ca 0.13 -2.74 -0.43 0.00 -0.01 0.00 0.00 57.16 54.11 1cey n GLU 5 Cb 0.48 -0.83 -0.02 0.00 -1.01 0.00 0.00 31.44 30.06 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1cey s LEU 6 N -3.12 4.04 -0.13 -4.62 2.96 -1.26 -4.79 118.68 111.76 1cey s LEU 6 Ca 0.26 1.32 -0.34 0.00 -0.22 0.00 0.00 54.13 55.14 1cey s LEU 6 Cb 0.43 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 43.47 1cey s LEU 6 CO -0.01 -0.79 1.92 0.29 -1.32 0.00 0.00 176.35 176.44 1cey n LYS 7 N 6.64 2.02 -4.25 1.98 5.02 -1.26 -4.67 118.16 123.65 1cey n LYS 7 Ca 0.13 0.72 -0.29 0.00 -2.02 0.00 0.00 58.31 56.85 1cey n LYS 7 Cb 0.46 -2.63 -0.10 0.00 -0.02 0.00 0.00 35.03 32.75 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 4.52 2.70 -0.29 2.13 0.08 -0.61 -0.69 117.98 125.83 1cey s PHE 8 Ca 0.95 -0.18 -0.00 0.00 0.12 0.00 0.00 56.93 57.81 1cey s PHE 8 Cb -0.71 -1.38 0.09 0.00 -0.57 0.00 0.00 43.02 40.45 1cey s PHE 8 CO 0.52 0.45 0.06 -1.17 -0.10 0.00 0.00 175.22 174.98 1cey s LEU 9 N -2.44 2.47 -0.32 -0.37 2.96 -0.64 -1.27 118.68 119.08 1cey s LEU 9 Ca 0.23 -1.52 -0.20 0.00 -0.22 0.00 0.00 54.13 52.41 1cey s LEU 9 Cb -0.10 -0.97 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 1cey s LEU 9 CO 0.14 -0.37 0.63 0.68 -1.32 0.00 0.00 176.35 176.11 1cey s VAL 10 N 1.52 4.93 -0.14 1.68 -7.23 -1.06 -1.39 120.40 118.72 1cey s VAL 10 Ca 0.06 0.79 -0.01 0.00 -1.81 0.00 0.00 61.98 61.01 1cey s VAL 10 Cb -0.18 -4.01 -0.02 0.00 0.56 0.00 0.00 36.38 32.73 1cey s VAL 10 CO -0.18 -0.17 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.65 1cey s VAL 11 N 2.62 3.34 0.00 1.32 1.01 -1.10 -2.38 120.40 125.20 1cey s VAL 11 Ca 0.25 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1cey s VAL 11 Cb -0.15 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1cey s VAL 11 CO 0.12 0.51 0.00 -0.90 0.00 0.00 0.00 175.10 174.83 1cey n ASP 12 N 3.58 0.00 -0.19 3.32 5.68 -1.14 -2.83 116.55 124.97 1cey n ASP 12 Ca -0.18 -0.80 0.00 0.00 -0.50 0.00 0.00 54.79 53.31 1cey n ASP 12 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1cey n ASP 12 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1cey n ASP 13 N -0.58 0.00 0.22 -1.12 -0.08 -1.26 -4.15 116.55 109.58 1cey n ASP 13 Ca 0.00 -1.22 0.14 0.00 -1.51 0.00 0.00 54.79 52.21 1cey n ASP 13 Cb 0.00 -0.04 0.44 0.00 2.34 0.00 0.00 41.12 43.86 1cey n ASP 13 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1cey h PHE 14 N 0.00 0.00 0.00 -0.67 3.57 -1.97 -3.46 116.94 114.41 1cey h PHE 14 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1cey h PHE 14 Cb 1.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1cey h PHE 14 CO -0.02 0.00 0.00 0.43 -2.23 0.00 0.00 178.31 176.49 1cey n SER 15 N -2.89 -1.17 0.00 0.41 7.64 -1.26 -4.49 113.62 111.86 1cey n SER 15 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1cey n SER 15 Cb 0.39 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1cey n THR 16 N -2.19 0.00 0.22 0.44 5.66 -1.26 -4.86 114.28 112.29 1cey n THR 16 Ca 0.00 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.07 1cey n THR 16 Cb 0.05 0.00 0.49 0.00 -1.55 0.00 0.00 70.33 69.32 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 0.00 0.00 -0.70 1.09 -1.53 -1.96 -2.74 114.93 109.08 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 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.02 1cey h MET 17 CO 0.00 0.27 0.23 0.00 0.14 0.00 0.00 176.91 177.55 1cey h ARG 18 N 0.00 1.08 0.00 0.39 3.08 -1.94 -1.98 114.38 115.01 1cey h ARG 18 Ca -0.00 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 1cey h ARG 18 Cb 0.60 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1cey h ARG 18 CO 0.04 0.93 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.69 1cey h ARG 19 N 1.02 0.00 0.11 0.04 2.43 -1.84 -1.62 114.38 114.52 1cey h ARG 19 Ca 0.23 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1cey h ARG 19 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1cey h ARG 19 CO -0.01 0.08 -0.05 0.82 -1.51 0.00 0.00 179.97 179.30 1cey h ILE 20 N 0.00 1.09 -0.33 1.20 5.03 -1.38 -3.12 117.51 120.00 1cey h ILE 20 Ca -0.00 -1.16 -0.08 0.00 -0.12 0.00 0.00 64.86 63.50 1cey h ILE 20 Cb 0.27 1.78 -0.02 0.00 -3.03 0.00 0.00 36.82 35.83 1cey h ILE 20 CO 0.01 0.26 -0.13 -0.37 -0.68 0.00 0.00 178.15 177.24 1cey h VAL 21 N -0.72 1.24 -0.07 1.67 -1.51 -1.39 -2.22 116.25 113.25 1cey h VAL 21 Ca -0.01 -1.09 0.04 0.00 -1.23 0.00 0.00 66.70 64.40 1cey h VAL 21 Cb 0.54 1.14 -0.06 0.00 -2.13 0.00 0.00 31.29 30.78 1cey h VAL 21 CO 0.02 0.36 -0.39 0.03 -1.23 0.00 0.00 177.57 176.36 1cey h ARG 22 N 0.53 -0.49 0.67 5.19 3.08 -1.33 -0.58 114.38 121.44 1cey h ARG 22 Ca 0.09 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1cey h ARG 22 Cb 0.54 0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.71 1cey h ARG 22 CO 0.03 -0.32 -0.32 -0.97 -1.07 0.00 0.00 179.97 177.32 1cey h ASN 23 N -0.51 -0.76 -0.89 7.04 -0.00 -1.48 -2.76 115.58 116.24 1cey h ASN 23 Ca 0.07 0.02 0.17 0.00 -0.00 0.00 0.00 56.30 56.56 1cey h ASN 23 Cb 0.62 0.20 -0.16 0.00 -0.00 0.00 0.00 38.32 38.97 1cey h ASN 23 CO -0.35 -0.53 -0.26 -0.11 -0.00 0.00 0.00 177.43 176.18 1cey n LEU 24 N -5.47 -0.39 0.12 0.34 0.00 -0.84 0.86 117.00 111.61 1cey n LEU 24 Ca -0.13 1.53 -0.13 0.00 0.00 0.00 0.00 56.01 57.28 1cey n LEU 24 Cb 0.36 -0.43 -0.07 0.00 0.00 0.00 0.00 43.42 43.29 1cey n LEU 24 CO 0.38 -1.44 0.78 -0.07 0.00 0.00 0.00 177.39 177.04 1cey h LEU 25 N 0.00 -0.33 -0.62 -1.96 3.38 -0.92 -2.22 115.31 112.64 1cey h LEU 25 Ca 0.39 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.50 1cey h LEU 25 Cb 0.61 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 1cey h LEU 25 CO -0.90 -0.20 0.19 0.11 0.09 0.00 0.00 178.44 177.73 1cey h LYS 26 N -0.29 0.33 -0.38 1.13 1.57 0.75 0.59 116.57 120.27 1cey h LYS 26 Ca -0.00 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 1cey h LYS 26 Cb 0.27 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1cey h LYS 26 CO -0.02 0.22 0.42 1.49 -0.57 0.00 0.00 179.45 180.99 1cey h GLU 27 N 0.34 0.00 0.00 3.15 4.81 0.07 -2.66 114.58 120.29 1cey h GLU 27 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1cey h GLU 27 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1cey h GLU 27 CO -0.36 0.00 -0.09 1.25 -0.73 0.00 0.00 179.01 179.08 1cey h LEU 28 N 0.00 0.00 0.00 1.64 6.46 0.52 -3.49 115.31 120.44 1cey h LEU 28 Ca 0.18 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1cey h LEU 28 Cb 1.02 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1cey h LEU 28 CO -0.00 0.32 0.00 0.61 -0.62 0.00 0.00 178.44 178.74 1cey n GLY 29 N 1.81 -1.59 3.25 3.75 0.00 -0.52 -5.13 105.19 106.77 1cey n GLY 29 Ca -0.01 0.58 -0.11 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.10 -0.42 1.61 0.08 -1.24 -4.32 117.98 113.59 1cey s PHE 30 Ca 0.00 -0.06 0.09 0.00 0.12 0.00 0.00 56.93 57.07 1cey s PHE 30 Cb 0.00 0.09 0.33 0.00 -0.57 0.00 0.00 43.02 42.87 1cey s PHE 30 CO 0.00 -0.51 0.90 -1.71 -0.10 0.00 0.00 175.22 173.80 1cey n ASN 31 N 0.51 -0.84 -3.14 1.36 4.05 -0.78 -4.33 115.26 112.10 1cey n ASN 31 Ca -0.18 -3.33 0.05 0.00 0.45 0.00 0.00 54.58 51.58 1cey n ASN 31 Cb 0.60 0.67 0.00 0.00 1.23 0.00 0.00 39.78 42.27 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1cey s ASN 32 N -1.80 -0.34 -0.02 1.20 3.04 -1.26 -4.88 114.94 110.88 1cey s ASN 32 Ca 0.31 0.03 -0.16 0.00 0.04 0.00 0.00 52.86 53.09 1cey s ASN 32 Cb 0.31 1.19 0.03 0.00 -1.54 0.00 0.00 41.25 41.24 1cey s ASN 32 CO -0.08 -0.06 0.33 0.54 -3.04 0.00 0.00 177.10 174.79 1cey s VAL 33 N 2.94 0.05 0.00 -5.21 0.11 -1.26 -1.58 120.40 115.45 1cey s VAL 33 Ca 0.29 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1cey s VAL 33 Cb -0.01 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 1cey s VAL 33 CO -0.23 -0.23 0.00 -0.62 -3.33 0.00 0.00 175.10 170.69 1cey n GLU 34 N 1.34 1.91 -3.82 1.54 -0.58 -0.40 -4.94 120.64 115.69 1cey n GLU 34 Ca -0.21 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.42 1cey n GLU 34 Cb 0.56 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.35 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1cey s GLU 35 N -1.81 0.66 0.20 3.49 2.02 -1.26 -2.55 118.70 119.44 1cey s GLU 35 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1cey s GLU 35 Cb 0.00 0.28 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 1cey s GLU 35 CO 0.00 -0.19 0.08 0.00 0.02 0.00 0.00 175.26 175.17 1cey s ALA 36 N -2.08 1.33 -2.50 5.21 0.00 -1.00 -4.96 121.76 117.76 1cey s ALA 36 Ca -0.09 -1.68 0.23 0.00 0.00 0.00 0.00 51.96 50.42 1cey s ALA 36 Cb -0.03 0.99 0.09 0.00 0.00 0.00 0.00 23.12 24.17 1cey s ALA 36 CO -0.01 -0.47 1.17 0.39 0.00 0.00 0.00 175.76 176.85 1cey n GLU 37 N -0.29 1.75 -3.54 0.00 1.02 -1.26 -2.87 120.64 115.44 1cey n GLU 37 Ca -0.02 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 55.67 1cey n GLU 37 Cb 0.65 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 1cey n GLU 37 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1cey n ASP 38 N 0.64 0.00 -0.03 1.62 8.00 -1.26 -4.54 116.55 120.98 1cey n ASP 38 Ca 0.12 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.52 1cey n ASP 38 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1cey h GLY 39 N 0.00 0.18 0.43 0.44 0.00 -1.94 0.22 103.07 102.40 1cey h GLY 39 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 47.33 47.45 1cey h GLY 39 CO 0.00 -0.01 0.61 -2.08 0.00 0.00 0.00 176.54 175.06 1cey h VAL 40 N 0.09 0.89 -0.42 4.60 2.07 -1.94 0.45 116.25 121.99 1cey h VAL 40 Ca 0.08 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 1cey h VAL 40 Cb 0.08 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 1cey h VAL 40 CO -0.11 0.17 -0.12 -0.78 0.02 0.00 0.00 177.57 176.76 1cey h ASP 41 N 0.94 0.82 0.50 0.57 3.58 -1.62 -2.79 116.42 118.43 1cey h ASP 41 Ca 0.50 -0.37 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1cey h ASP 41 Cb 0.53 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1cey h ASP 41 CO -0.28 1.00 -0.24 0.00 -2.88 0.00 0.00 179.24 176.84 1cey h ALA 42 N 0.85 -0.67 -0.97 -0.78 0.00 0.13 -2.01 119.26 115.82 1cey h ALA 42 Ca 0.10 -0.19 0.32 0.00 0.00 0.00 0.00 54.91 55.14 1cey h ALA 42 Cb 0.65 0.26 -0.17 0.00 0.00 0.00 0.00 17.79 18.53 1cey h ALA 42 CO 0.04 -0.72 0.32 1.25 0.00 0.00 0.00 179.25 180.15 1cey h LEU 43 N -0.98 0.03 -0.58 0.00 5.85 -0.24 2.25 115.31 121.63 1cey h LEU 43 Ca -0.07 0.24 -0.15 0.00 0.84 0.00 0.00 57.88 58.74 1cey h LEU 43 Cb 0.60 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1cey h LEU 43 CO 0.11 -0.31 -0.56 0.78 -0.34 0.00 0.00 178.44 178.12 1cey h ASN 44 N 0.09 0.49 0.70 1.25 2.35 -1.38 -3.10 115.58 115.98 1cey h ASN 44 Ca 0.69 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 1cey h ASN 44 Cb 1.60 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.83 1cey h ASN 44 CO -0.77 0.95 -0.70 0.29 -1.65 0.00 0.00 177.43 175.54 1cey n LYS 45 N -3.93 0.24 0.25 0.81 5.02 0.35 -3.76 118.16 117.14 1cey n LYS 45 Ca -0.03 0.05 0.17 0.00 -2.02 0.00 0.00 58.31 56.48 1cey n LYS 45 Cb 0.60 -1.63 0.82 0.00 -0.02 0.00 0.00 35.03 34.80 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1cey h LEU 46 N 0.00 0.00 -0.40 -0.35 -0.00 0.33 0.86 115.31 115.75 1cey h LEU 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1cey h LEU 46 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1cey h LEU 46 CO 0.00 0.00 -0.09 1.67 -0.00 0.00 0.00 178.44 180.02 1cey n GLN 47 N -2.78 0.97 0.00 1.13 7.27 -1.25 -3.70 117.38 119.03 1cey n GLN 47 Ca -0.01 -0.40 0.00 0.00 0.07 0.00 0.00 57.00 56.66 1cey n GLN 47 Cb 0.16 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.31 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cey n ALA 48 N -0.67 -0.09 -1.33 1.69 0.00 0.30 -4.51 120.51 115.91 1cey n ALA 48 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1cey n ALA 48 Cb 0.28 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.95 -1.28 0.75 0.00 0.00 -1.26 -5.05 105.19 97.40 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 0.22 3.50 -0.02 0.00 -1.24 -4.91 105.19 102.74 1cey n GLY 50 Ca 0.00 -0.45 -0.55 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.46 1.68 0.02 1.61 4.01 -1.26 -4.70 117.16 118.07 1cey n TYR 51 Ca 0.00 0.46 0.00 0.00 -0.16 0.00 0.00 57.90 58.20 1cey n TYR 51 Cb 0.21 -2.46 0.01 0.00 -0.31 0.00 0.00 39.34 36.79 1cey n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cey n GLY 52 N 5.91 -0.20 3.63 2.72 0.00 -1.13 -4.56 105.19 111.56 1cey n GLY 52 Ca 0.39 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.37 -0.53 -0.20 1.61 2.19 0.14 -3.96 117.98 114.87 1cey s PHE 53 Ca 0.01 1.25 -0.04 0.00 0.33 0.00 0.00 56.93 58.47 1cey s PHE 53 Cb 0.00 0.36 0.07 0.00 -1.31 0.00 0.00 43.02 42.13 1cey s PHE 53 CO 0.01 -0.28 0.07 0.08 1.83 0.00 0.00 175.22 176.93 1cey s VAL 54 N 0.08 0.19 -1.22 3.12 1.01 -1.06 -1.62 120.40 120.91 1cey s VAL 54 Ca 0.02 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 1cey s VAL 54 Cb -0.04 -0.85 0.18 0.00 0.00 0.00 0.00 36.38 35.66 1cey s VAL 54 CO -0.04 -0.32 1.51 -0.38 0.00 0.00 0.00 175.10 175.87 1cey n ILE 55 N 5.17 4.29 -3.02 2.22 5.41 -0.49 -2.18 119.36 130.76 1cey n ILE 55 Ca -0.07 -4.70 -0.30 0.00 1.00 0.00 0.00 62.75 58.68 1cey n ILE 55 Cb 0.47 -2.45 -0.03 0.00 -0.71 0.00 0.00 39.64 36.92 1cey n ILE 55 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1cey s SER 56 N 2.39 6.51 0.38 4.38 1.04 -1.22 -2.71 113.70 124.47 1cey s SER 56 Ca 0.42 1.02 0.07 0.00 0.48 0.00 0.00 55.95 57.94 1cey s SER 56 Cb -0.01 -2.27 -0.01 0.00 0.10 0.00 0.00 66.02 63.83 1cey s SER 56 CO 0.00 -0.33 0.44 1.51 0.98 0.00 0.00 173.24 175.85 1cey s ASP 57 N -3.10 5.53 -0.87 7.02 -4.77 -1.13 -1.75 116.67 117.60 1cey s ASP 57 Ca 0.49 -0.45 -0.26 0.00 -3.30 0.00 0.00 52.55 49.04 1cey s ASP 57 Cb -0.10 -0.86 -0.14 0.00 -1.09 0.00 0.00 42.92 40.73 1cey s ASP 57 CO 0.30 -0.56 2.29 0.86 0.70 0.00 0.00 175.17 178.75 1cey s TRP 58 N -2.32 1.26 0.12 2.11 -0.11 -1.07 -4.88 118.94 114.06 1cey s TRP 58 Ca 0.48 1.82 -0.31 0.00 1.22 0.00 0.00 56.10 59.31 1cey s TRP 58 Cb -0.07 -3.51 -0.10 0.00 -1.50 0.00 0.00 33.47 28.28 1cey s TRP 58 CO 0.30 -1.43 1.81 -0.80 -4.62 0.00 0.00 176.95 172.21 1cey s ASN 59 N 9.99 6.44 -0.10 5.86 0.01 -1.26 -4.89 114.94 130.98 1cey s ASN 59 Ca 0.87 2.74 0.19 0.00 -0.71 0.00 0.00 52.86 55.96 1cey s ASN 59 Cb -0.10 -2.57 0.43 0.00 0.41 0.00 0.00 41.25 39.42 1cey s ASN 59 CO 0.08 -1.00 1.19 0.80 -1.51 0.00 0.00 177.10 176.67 1cey n MET 60 N 5.64 0.82 0.39 -0.60 1.56 -1.26 -4.39 117.12 119.28 1cey n MET 60 Ca 0.18 -2.65 -0.19 0.00 -0.27 0.00 0.00 57.70 54.76 1cey n MET 60 Cb 0.38 -0.78 -0.09 0.00 2.15 0.00 0.00 33.22 34.88 1cey n MET 60 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 1cey h PRO 61 N 1.13 -1.06 0.00 2.12 0.13 -1.96 -3.44 132.00 128.92 1cey h PRO 61 Ca -0.12 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1cey h PRO 61 Cb 1.51 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.89 1cey h PRO 61 CO 0.09 -0.71 0.00 0.09 -0.23 0.00 0.00 178.00 177.24 1cey n ASN 62 N -5.59 0.00 -3.15 1.44 3.02 -1.26 -5.09 115.26 104.64 1cey n ASN 62 Ca -0.14 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.47 1cey n ASN 62 Cb 0.47 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.62 1cey n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cey s MET 63 N -0.90 0.13 -0.01 3.52 0.23 -1.26 -5.18 119.30 115.83 1cey s MET 63 Ca 0.00 0.21 -0.08 0.00 -1.03 0.00 0.00 55.69 54.79 1cey s MET 63 Cb 0.00 0.11 0.03 0.00 -1.53 0.00 0.00 34.83 33.44 1cey s MET 63 CO 0.00 -0.15 0.37 -0.25 -2.03 0.00 0.00 175.02 172.95 1cey n ASP 64 N 5.42 -0.34 0.00 -1.18 8.00 -1.26 -4.89 116.55 122.29 1cey n ASP 64 Ca -0.05 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1cey n ASP 64 Cb 0.55 0.52 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cey n GLY 65 N -0.26 1.70 0.19 0.44 0.00 -1.26 -4.24 105.19 101.76 1cey n GLY 65 Ca 0.01 0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.40 -1.46 0.99 -0.00 -1.96 0.55 115.31 113.03 1cey h LEU 66 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1cey h LEU 66 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1cey h LEU 66 CO 0.00 -0.21 0.51 -0.08 -0.00 0.00 0.00 178.44 178.65 1cey h GLU 67 N -0.62 0.00 0.33 1.13 4.81 -1.95 0.68 114.58 118.97 1cey h GLU 67 Ca -0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1cey h GLU 67 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1cey h GLU 67 CO 0.08 0.00 -0.16 1.25 -0.73 0.00 0.00 179.01 179.45 1cey h LEU 68 N 0.00 -0.38 -0.27 1.64 5.85 -1.63 -2.70 115.31 117.82 1cey h LEU 68 Ca 0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1cey h LEU 68 Cb 1.01 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 1cey h LEU 68 CO 0.00 -0.01 -0.38 0.25 -0.34 0.00 0.00 178.44 177.96 1cey h LEU 69 N -0.97 -1.28 -0.86 2.25 6.46 0.14 0.40 115.31 121.45 1cey h LEU 69 Ca -0.05 0.17 0.17 0.00 -0.12 0.00 0.00 57.88 58.05 1cey h LEU 69 Cb 0.34 0.52 -0.16 0.00 -0.73 0.00 0.00 40.66 40.63 1cey h LEU 69 CO 0.07 -0.28 -0.22 0.50 -0.62 0.00 0.00 178.44 177.89 1cey h LYS 70 N -0.28 -0.00 -0.19 1.25 3.64 -1.58 1.38 116.57 120.78 1cey h LYS 70 Ca 0.05 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1cey h LYS 70 Cb 0.41 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1cey h LYS 70 CO -0.40 -0.00 -0.14 1.79 -2.27 0.00 0.00 179.45 178.42 1cey h THR 71 N -0.00 1.20 0.00 1.00 1.35 -0.72 -0.02 112.91 115.71 1cey h THR 71 Ca 0.41 -0.90 -0.05 0.00 -0.55 0.00 0.00 66.41 65.32 1cey h THR 71 Cb 0.63 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1cey h THR 71 CO -0.89 0.28 -0.23 0.40 -0.25 0.00 0.00 175.52 174.84 1cey h ILE 72 N 0.30 0.49 0.00 6.82 2.04 0.58 -3.09 117.51 124.66 1cey h ILE 72 Ca 0.06 -1.23 -0.26 0.00 1.00 0.00 0.00 64.86 64.43 1cey h ILE 72 Cb 0.44 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 1cey h ILE 72 CO 0.03 0.22 -1.53 -0.09 0.00 0.00 0.00 178.15 176.78 1cey h ARG 73 N 0.00 0.00 -1.08 2.37 2.43 0.83 -3.32 114.38 115.62 1cey h ARG 73 Ca -0.00 0.00 0.31 0.00 -0.81 0.00 0.00 59.98 59.48 1cey h ARG 73 Cb 0.85 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.36 1cey h ARG 73 CO 0.03 0.57 0.90 0.00 -1.51 0.00 0.00 179.97 179.96 1cey h ALA 74 N 1.05 2.96 -1.57 2.80 0.00 -0.95 -3.41 119.26 120.14 1cey h ALA 74 Ca -0.22 -0.04 -0.71 0.00 0.00 0.00 0.00 54.91 53.94 1cey h ALA 74 Cb 1.92 0.08 0.04 0.00 0.00 0.00 0.00 17.79 19.83 1cey h ALA 74 CO 0.09 -1.45 0.57 -3.47 0.00 0.00 0.00 179.25 174.98 1cey n ASP 75 N -3.87 1.74 -0.07 0.00 2.03 -1.25 -4.85 116.55 110.28 1cey n ASP 75 Ca 0.23 1.11 -0.14 0.00 0.52 0.00 0.00 54.79 56.52 1cey n ASP 75 Cb 1.25 -1.15 -0.14 0.00 -0.72 0.00 0.00 41.12 40.36 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 3.00 -0.76 0.22 0.27 0.00 -1.26 -2.51 105.19 104.15 1cey n GLY 76 Ca 0.21 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.59 -0.86 0.04 4.61 0.00 -1.96 -3.34 119.26 118.33 1cey h ALA 77 Ca -0.48 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.08 1cey h ALA 77 Cb 2.07 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 20.37 1cey h ALA 77 CO 0.02 -0.90 -1.51 0.52 0.00 0.00 0.00 179.25 177.38 1cey h MET 78 N -0.41 0.09 -1.61 0.00 2.86 -1.98 -3.46 114.93 110.42 1cey h MET 78 Ca -0.02 -0.16 -0.12 0.00 -2.06 0.00 0.00 59.70 57.35 1cey h MET 78 Cb 0.37 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 1cey h MET 78 CO -0.07 1.07 -0.11 0.45 1.06 0.00 0.00 176.91 179.32 1cey n SER 79 N -4.12 -1.61 0.00 1.22 2.88 -1.04 -4.47 113.62 106.47 1cey n SER 79 Ca -0.32 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1cey n SER 79 Cb 0.81 -1.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 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 -0.27 0.23 -1.39 -1.46 0.00 -1.26 -5.04 120.51 111.31 1cey n ALA 80 Ca -0.06 -0.11 -0.54 0.00 0.00 0.00 0.00 53.44 52.73 1cey n ALA 80 Cb 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.56 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 0.00 1.70 -4.62 0.00 7.94 -1.26 -4.77 117.00 115.98 1cey n LEU 81 Ca 0.00 0.53 -0.43 0.00 -1.11 0.00 0.00 56.01 55.00 1cey n LEU 81 Cb 0.31 -1.14 -0.03 0.00 0.53 0.00 0.00 43.42 43.09 1cey n LEU 81 CO 0.00 -0.73 1.76 -2.84 -1.11 0.00 0.00 177.39 174.47 1cey s PRO 82 N 6.02 3.51 -0.23 1.96 0.02 -1.25 -4.81 135.00 140.21 1cey s PRO 82 Ca 1.12 2.24 -0.03 0.00 0.02 0.00 0.00 61.00 64.36 1cey s PRO 82 Cb -1.07 -4.30 0.01 0.00 0.02 0.00 0.00 34.50 29.16 1cey s PRO 82 CO 0.55 -1.68 -0.06 0.08 -0.33 0.00 0.00 177.00 175.56 1cey s VAL 83 N 6.87 3.07 -0.48 3.83 1.01 -1.26 -2.56 120.40 130.88 1cey s VAL 83 Ca 0.96 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 1cey s VAL 83 Cb -0.37 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.62 1cey s VAL 83 CO 0.38 0.33 0.47 -0.22 0.00 0.00 0.00 175.10 176.06 1cey s LEU 84 N 1.40 5.41 -0.71 3.92 1.98 -0.93 -1.31 118.68 128.45 1cey s LEU 84 Ca 0.03 -1.19 -0.27 0.00 -2.89 0.00 0.00 54.13 49.82 1cey s LEU 84 Cb -0.15 -2.27 0.01 0.00 0.66 0.00 0.00 46.19 44.44 1cey s LEU 84 CO -0.04 -0.73 1.51 -0.32 -1.89 0.00 0.00 176.35 174.88 1cey s MET 85 N 1.97 2.99 0.08 1.98 -2.45 -0.94 -3.38 119.30 119.55 1cey s MET 85 Ca 0.08 0.03 -0.00 0.00 -1.25 0.00 0.00 55.69 54.55 1cey s MET 85 Cb -0.23 -4.31 -0.04 0.00 1.25 0.00 0.00 34.83 31.50 1cey s MET 85 CO 0.08 -2.39 0.24 0.14 1.05 0.00 0.00 175.02 174.15 1cey s VAL 86 N 7.00 5.35 0.36 10.11 -7.23 -0.72 -2.72 120.40 132.56 1cey s VAL 86 Ca 0.48 -0.36 -0.04 0.00 -1.81 0.00 0.00 61.98 60.25 1cey s VAL 86 Cb -0.09 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.22 1cey s VAL 86 CO 0.16 0.10 0.54 1.07 -0.31 0.00 0.00 175.10 176.66 1cey n THR 87 N 0.18 0.00 0.00 5.32 5.66 -0.98 -2.60 114.28 121.86 1cey n THR 87 Ca -0.05 -1.70 0.00 0.00 -3.05 0.00 0.00 64.05 59.25 1cey n THR 87 Cb 0.51 1.10 0.00 0.00 -1.55 0.00 0.00 70.33 70.39 1cey n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cey n ALA 88 N -0.64 0.58 -1.05 1.79 0.00 -1.26 0.25 120.51 120.18 1cey n ALA 88 Ca -0.14 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 52.94 1cey n ALA 88 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 1cey n ALA 88 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1cey n GLU 89 N -2.14 2.57 -1.46 0.00 0.28 -1.26 -4.47 120.64 114.17 1cey n GLU 89 Ca 0.00 -1.45 -0.48 0.00 -0.16 0.00 0.00 57.16 55.07 1cey n GLU 89 Cb 0.00 -2.32 -0.08 0.00 1.43 0.00 0.00 31.44 30.47 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1cey n ALA 90 N 3.08 0.91 -1.95 -1.84 0.00 -1.26 -4.92 120.51 114.53 1cey n ALA 90 Ca 0.55 -0.19 -0.28 0.00 0.00 0.00 0.00 53.44 53.52 1cey n ALA 90 Cb 0.55 -2.58 0.16 0.00 0.00 0.00 0.00 19.45 17.58 1cey n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1cey s LYS 91 N 6.82 1.01 0.15 0.00 2.20 -1.26 -4.89 119.74 123.78 1cey s LYS 91 Ca 1.12 -0.64 -0.02 0.00 -0.36 0.00 0.00 55.97 56.07 1cey s LYS 91 Cb -0.84 -2.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 1cey s LYS 91 CO 0.47 -2.08 1.37 1.57 -0.36 0.00 0.00 175.35 176.32 1cey h LYS 92 N -1.26 0.36 0.07 4.03 2.10 -2.00 -2.72 116.57 117.15 1cey h LYS 92 Ca -0.42 -0.35 -0.31 0.00 -2.00 0.00 0.00 60.65 57.57 1cey h LYS 92 Cb 1.25 0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 32.64 1cey h LYS 92 CO 0.39 1.02 -1.71 1.05 -2.00 0.00 0.00 179.45 178.21 1cey h GLU 93 N 0.22 0.14 0.00 0.07 4.11 -2.00 -3.33 114.58 113.79 1cey h GLU 93 Ca -0.05 -0.25 -0.05 0.00 0.07 0.00 0.00 59.36 59.08 1cey h GLU 93 Cb 1.46 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 1cey h GLU 93 CO 0.14 0.89 -0.22 -0.91 0.07 0.00 0.00 179.01 178.99 1cey h ASN 94 N 0.04 0.00 0.11 3.06 4.21 -1.95 -2.36 115.58 118.69 1cey h ASN 94 Ca -0.30 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.03 1cey h ASN 94 Cb 2.01 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 39.21 1cey h ASN 94 CO 0.11 0.22 -0.67 0.40 -1.29 0.00 0.00 177.43 176.20 1cey h ILE 95 N 0.00 1.34 0.00 2.81 2.04 -1.59 -2.88 117.51 119.23 1cey h ILE 95 Ca -0.00 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.87 1cey h ILE 95 Cb 0.66 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1cey h ILE 95 CO 0.03 0.61 -0.07 -0.38 0.00 0.00 0.00 178.15 178.34 1cey n ILE 96 N -3.90 0.54 -0.02 -0.67 5.41 -1.08 -3.67 119.36 115.97 1cey n ILE 96 Ca -0.04 -0.27 -0.11 0.00 1.00 0.00 0.00 62.75 63.32 1cey n ILE 96 Cb 0.67 -0.53 -0.06 0.00 -0.71 0.00 0.00 39.64 39.02 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 2.54 0.14 0.74 -1.39 0.00 -1.20 0.27 119.26 120.37 1cey h ALA 97 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1cey h ALA 97 Cb 0.73 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1cey h ALA 97 CO 0.00 -0.26 -0.45 0.00 0.00 0.00 0.00 179.25 178.54 1cey h ALA 98 N 0.88 -1.16 -0.17 0.00 0.00 -1.63 -0.86 119.26 116.31 1cey h ALA 98 Ca 0.04 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1cey h ALA 98 Cb 0.18 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1cey h ALA 98 CO -0.00 -1.17 0.20 0.00 0.00 0.00 0.00 179.25 178.28 1cey h ALA 99 N -0.96 1.76 -0.82 0.00 0.00 -1.66 0.51 119.26 118.09 1cey h ALA 99 Ca -0.10 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.02 1cey h ALA 99 Cb 0.90 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1cey h ALA 99 CO 0.10 -0.29 0.57 0.37 0.00 0.00 0.00 179.25 180.00 1cey h GLN 100 N 0.00 0.19 0.00 0.00 4.15 0.10 2.78 115.11 122.33 1cey h GLN 100 Ca 0.08 -0.01 -0.21 0.00 0.77 0.00 0.00 58.65 59.28 1cey h GLN 100 Cb 0.49 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 1cey h GLN 100 CO -0.00 0.12 -1.28 0.00 -1.93 0.00 0.00 178.83 175.75 1cey h ALA 101 N 1.62 0.62 -3.43 3.38 0.00 0.02 -3.49 119.26 117.98 1cey h ALA 101 Ca 0.41 -1.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1cey h ALA 101 Cb 1.31 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.29 1cey h ALA 101 CO -0.08 1.19 -0.04 0.41 0.00 0.00 0.00 179.25 180.73 1cey n GLY 102 N 1.41 -0.20 0.00 0.00 0.00 0.93 -4.86 105.19 102.47 1cey n GLY 102 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.31 0.00 -0.10 4.61 0.00 -1.26 -4.96 120.51 117.48 1cey n ALA 103 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1cey n ALA 103 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 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 1.87 0.00 0.00 7.64 -0.43 -4.78 113.62 117.92 1cey n SER 104 Ca 0.00 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1cey n SER 104 Cb 0.00 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 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 1.43 -0.52 3.06 0.23 0.00 -1.24 -5.01 105.19 103.14 1cey n GLY 105 Ca -0.32 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.24 0.61 -0.12 1.61 5.04 -1.26 -2.21 117.35 117.77 1cey s TYR 106 Ca 0.00 -0.59 -0.05 0.00 -2.44 0.00 0.00 57.07 53.98 1cey s TYR 106 Cb 0.00 -0.38 0.06 0.00 0.35 0.00 0.00 41.96 41.99 1cey s TYR 106 CO 0.00 -0.13 0.27 0.54 -1.34 0.00 0.00 175.55 174.89 1cey s VAL 107 N -1.84 -0.24 0.96 3.14 0.11 -1.10 -4.96 120.40 116.45 1cey s VAL 107 Ca -0.07 0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 59.08 1cey s VAL 107 Cb -0.07 -0.43 0.17 0.00 -1.53 0.00 0.00 36.38 34.52 1cey s VAL 107 CO -0.01 0.09 1.11 0.54 -3.33 0.00 0.00 175.10 173.50 1cey s VAL 108 N 1.89 2.20 0.10 2.04 0.11 -1.26 -2.33 120.40 123.14 1cey s VAL 108 Ca -0.04 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 1cey s VAL 108 Cb -0.11 -2.16 -0.04 0.00 -1.53 0.00 0.00 36.38 32.54 1cey s VAL 108 CO -0.09 -0.08 -0.07 -1.59 -3.33 0.00 0.00 175.10 169.94 1cey s LYS 109 N -4.65 0.83 0.11 1.54 -2.85 0.70 -3.90 119.74 111.53 1cey s LYS 109 Ca 0.66 -1.31 -0.30 0.00 -1.00 0.00 0.00 55.97 54.02 1cey s LYS 109 Cb -0.22 -0.23 -0.06 0.00 -2.06 0.00 0.00 37.83 35.26 1cey s LYS 109 CO 0.59 -0.01 1.13 -1.25 0.10 0.00 0.00 175.35 175.91 1cey s PRO 110 N -3.72 4.52 0.34 1.78 0.05 -1.26 -4.44 135.00 132.27 1cey s PRO 110 Ca 0.11 1.71 -0.01 0.00 0.05 0.00 0.00 61.00 62.86 1cey s PRO 110 Cb 0.04 -3.32 -0.04 0.00 0.05 0.00 0.00 34.50 31.23 1cey s PRO 110 CO -0.04 -0.08 0.56 -0.59 0.05 0.00 0.00 177.00 176.90 1cey s PHE 111 N 0.41 3.50 0.20 0.56 -0.12 -1.25 -5.08 117.98 116.20 1cey s PHE 111 Ca 0.53 0.46 -0.13 0.00 -0.05 0.00 0.00 56.93 57.74 1cey s PHE 111 Cb -0.29 -1.98 -0.07 0.00 -0.63 0.00 0.00 43.02 40.05 1cey s PHE 111 CO 0.32 0.12 0.57 0.99 -0.05 0.00 0.00 175.22 177.17 1cey s THR 112 N -2.27 4.86 0.39 -4.49 2.01 -1.26 -4.78 115.64 110.10 1cey s THR 112 Ca 0.41 0.72 0.19 0.00 0.31 0.00 0.00 61.69 63.32 1cey s THR 112 Cb -0.10 -3.68 0.39 0.00 0.01 0.00 0.00 72.50 69.12 1cey s THR 112 CO 0.35 0.08 1.74 0.00 -0.69 0.00 0.00 174.62 176.09 1cey h ALA 113 N 3.03 2.24 -0.17 7.40 0.00 -1.98 2.05 119.26 131.83 1cey h ALA 113 Ca -0.48 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1cey h ALA 113 Cb 1.18 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1cey h ALA 113 CO 0.67 -0.70 -0.30 0.00 0.00 0.00 0.00 179.25 178.92 1cey h ALA 114 N 1.65 1.18 0.18 0.00 0.00 -1.96 0.21 119.26 120.51 1cey h ALA 114 Ca 0.64 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1cey h ALA 114 Cb 1.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1cey h ALA 114 CO -0.36 0.53 -0.09 1.15 0.00 0.00 0.00 179.25 180.49 1cey h THR 115 N 0.28 0.00 -1.02 0.00 2.02 0.28 0.15 112.91 114.62 1cey h THR 115 Ca 0.04 -0.25 0.25 0.00 0.77 0.00 0.00 66.41 67.22 1cey h THR 115 Cb 0.68 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.98 1cey h THR 115 CO 0.05 0.00 0.62 0.25 0.37 0.00 0.00 175.52 176.81 1cey h LEU 116 N -0.49 0.61 -0.14 2.58 6.46 -0.96 0.16 115.31 123.53 1cey h LEU 116 Ca -0.02 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1cey h LEU 116 Cb 0.18 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1cey h LEU 116 CO 0.04 0.11 0.07 -0.08 -0.62 0.00 0.00 178.44 177.96 1cey h GLU 117 N 0.53 0.20 -0.91 1.25 4.22 -0.54 0.33 114.58 119.66 1cey h GLU 117 Ca 0.62 -0.03 0.25 0.00 0.08 0.00 0.00 59.36 60.28 1cey h GLU 117 Cb 1.29 -0.04 -0.14 0.00 0.50 0.00 0.00 28.75 30.37 1cey h GLU 117 CO -0.41 0.26 0.34 1.49 -2.18 0.00 0.00 179.01 178.51 1cey h GLU 118 N 0.09 0.26 0.08 1.92 4.57 0.22 0.41 114.58 122.14 1cey h GLU 118 Ca 0.05 -0.02 -0.25 0.00 -1.18 0.00 0.00 59.36 57.96 1cey h GLU 118 Cb 0.12 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1cey h GLU 118 CO -0.01 0.17 -1.12 0.87 -1.18 0.00 0.00 179.01 177.75 1cey h LYS 119 N 0.27 0.27 -0.44 1.92 1.57 -1.16 -2.94 116.57 116.07 1cey h LYS 119 Ca 0.59 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1cey h LYS 119 Cb 1.22 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.65 1cey h LYS 119 CO -0.62 1.15 0.08 1.25 -0.57 0.00 0.00 179.45 180.73 1cey h LEU 120 N 0.11 0.62 -0.19 2.94 7.12 0.18 0.16 115.31 126.25 1cey h LEU 120 Ca -0.10 -0.11 -0.22 0.00 0.13 0.00 0.00 57.88 57.58 1cey h LEU 120 Cb 1.81 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 41.78 1cey h LEU 120 CO 0.18 0.64 -0.93 -1.13 -0.13 0.00 0.00 178.44 177.07 1cey h ASN 121 N 0.64 0.49 0.74 1.25 -0.73 -0.66 -1.49 115.58 115.83 1cey h ASN 121 Ca 0.14 -0.40 -0.18 0.00 1.87 0.00 0.00 56.30 57.73 1cey h ASN 121 Cb 0.29 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 1cey h ASN 121 CO 0.00 1.20 -0.85 0.50 -0.37 0.00 0.00 177.43 177.91 1cey h LYS 122 N 0.21 0.07 0.06 6.67 3.11 -1.29 -2.31 116.57 123.10 1cey h LYS 122 Ca -0.07 -0.08 -0.24 0.00 -2.81 0.00 0.00 60.65 57.44 1cey h LYS 122 Cb 1.57 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.82 1cey h LYS 122 CO 0.16 0.87 -1.06 0.82 -2.81 0.00 0.00 179.45 177.43 1cey h ILE 123 N 0.04 1.46 -0.02 2.00 2.04 -0.69 -3.14 117.51 119.19 1cey h ILE 123 Ca -0.02 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 63.10 1cey h ILE 123 Cb 1.48 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 1cey h ILE 123 CO 0.12 0.81 0.00 0.49 0.00 0.00 0.00 178.15 179.56 1cey n PHE 124 N -3.64 0.02 0.13 1.37 3.01 -0.56 -2.91 117.46 114.87 1cey n PHE 124 Ca -0.07 -0.01 0.01 0.00 1.01 0.00 0.00 57.45 58.39 1cey n PHE 124 Cb 0.91 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.46 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 1.54 0.00 0.00 -1.08 4.22 -1.36 0.55 114.58 118.44 1cey h GLU 125 Ca 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.36 1cey h GLU 125 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1cey h GLU 125 CO 0.00 0.60 -1.76 1.63 -2.18 0.00 0.00 179.01 177.30 1cey n LYS 126 N -3.36 0.65 0.05 1.92 5.02 -1.21 -4.11 118.16 117.12 1cey n LYS 126 Ca 0.01 -0.04 0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1cey n LYS 126 Cb 0.72 -1.63 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1cey h LEU 127 N 0.00 0.00 -3.12 -0.35 6.46 -1.45 -3.49 115.31 113.36 1cey h LEU 127 Ca -0.10 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.53 1cey h LEU 127 Cb 1.27 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.21 1cey h LEU 127 CO 0.01 0.50 -1.01 0.61 -0.62 0.00 0.00 178.44 177.93 1cey n GLY 128 N 1.35 -0.78 0.61 3.75 0.00 0.19 -5.04 105.19 105.27 1cey n GLY 128 Ca -0.07 0.57 0.13 0.00 0.00 0.00 0.00 46.02 46.65 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35