#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 -6.39 -0.06 0.00 9.92 -1.26 -4.58 116.55 114.18 1cey n ASP 3 Ca 0.00 0.96 0.00 0.00 -0.53 0.00 0.00 54.79 55.22 1cey n ASP 3 Cb 0.00 -3.34 0.00 0.00 -0.64 0.00 0.00 41.12 37.14 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1cey n LYS 4 N 1.34 0.16 -2.79 -1.24 4.76 -1.26 -2.08 118.16 117.05 1cey n LYS 4 Ca -0.06 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.37 1cey n LYS 4 Cb 0.28 -1.01 0.05 0.00 -1.84 0.00 0.00 35.03 32.51 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 -0.39 1.79 -2.47 1.97 -0.58 -1.26 -3.42 120.64 116.29 1cey n GLU 5 Ca 0.00 -3.53 -0.42 0.00 -0.42 0.00 0.00 57.16 52.79 1cey n GLU 5 Cb 0.00 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 29.22 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1cey s LEU 6 N -3.77 4.36 -0.13 -4.62 2.96 -0.88 -4.87 118.68 111.74 1cey s LEU 6 Ca 0.28 1.94 -0.29 0.00 -0.22 0.00 0.00 54.13 55.84 1cey s LEU 6 Cb 0.33 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.44 1cey s LEU 6 CO -0.03 -0.45 1.00 -0.54 -1.32 0.00 0.00 176.35 175.01 1cey s LYS 7 N 1.17 4.39 0.00 1.98 1.02 -1.26 -4.62 119.74 122.42 1cey s LYS 7 Ca 0.57 1.37 0.05 0.00 0.02 0.00 0.00 55.97 57.98 1cey s LYS 7 Cb -0.28 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 1cey s LYS 7 CO 0.28 -0.36 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.17 1cey s PHE 8 N 2.18 2.73 -0.31 3.18 0.40 -1.00 -0.90 117.98 124.24 1cey s PHE 8 Ca 0.47 -0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.62 1cey s PHE 8 Cb -0.18 -1.56 0.04 0.00 0.51 0.00 0.00 43.02 41.83 1cey s PHE 8 CO 0.16 0.29 0.04 -1.17 0.70 0.00 0.00 175.22 175.24 1cey s LEU 9 N -1.26 4.05 -0.49 -0.37 2.96 -0.86 -2.38 118.68 120.34 1cey s LEU 9 Ca 0.15 -1.19 -0.20 0.00 -0.22 0.00 0.00 54.13 52.66 1cey s LEU 9 Cb -0.11 -1.78 0.05 0.00 0.50 0.00 0.00 46.19 44.85 1cey s LEU 9 CO 0.05 -0.28 0.66 -0.69 -1.32 0.00 0.00 176.35 174.77 1cey s VAL 10 N 1.32 4.81 -1.15 1.68 1.01 -1.09 -1.19 120.40 125.79 1cey s VAL 10 Ca -0.03 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 61.78 1cey s VAL 10 Cb -0.20 -4.30 0.38 0.00 0.00 0.00 0.00 36.38 32.27 1cey s VAL 10 CO 0.01 -0.78 1.18 0.52 0.00 0.00 0.00 175.10 176.02 1cey n VAL 11 N 5.74 1.04 -0.79 2.92 0.31 -1.07 -1.86 118.33 124.63 1cey n VAL 11 Ca -0.04 -0.62 -0.33 0.00 -0.01 0.00 0.00 64.34 63.33 1cey n VAL 11 Cb 0.46 -0.14 0.12 0.00 -0.91 0.00 0.00 33.84 33.37 1cey n VAL 11 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1cey n ASP 12 N 0.42 -2.51 -1.86 4.52 5.68 -1.26 -4.02 116.55 117.52 1cey n ASP 12 Ca 0.13 0.20 0.01 0.00 -0.50 0.00 0.00 54.79 54.63 1cey n ASP 12 Cb 0.57 -1.09 0.02 0.00 -1.14 0.00 0.00 41.12 39.48 1cey n ASP 12 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1cey n ASP 13 N -0.89 0.62 0.00 -1.12 5.75 -1.26 -4.29 116.55 115.35 1cey n ASP 13 Ca 0.04 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1cey n ASP 13 Cb 0.56 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1cey n ASP 13 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1cey n PHE 14 N -0.03 0.00 0.00 2.11 -0.00 -1.26 -5.03 117.46 113.25 1cey n PHE 14 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 1cey n PHE 14 Cb 0.97 -0.17 0.00 0.00 -0.00 0.00 0.00 39.48 40.27 1cey n PHE 14 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1cey n SER 15 N -1.23 0.00 0.00 -2.13 7.64 -1.26 -4.92 113.62 111.72 1cey n SER 15 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1cey n SER 15 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -0.29 0.44 5.66 -1.26 -4.83 114.28 114.00 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 0.00 1.39 0.29 0.00 -1.55 0.00 0.00 70.33 70.46 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 0.87 0.57 1.09 -1.53 -1.99 -1.95 114.93 111.99 1cey h MET 17 Ca 0.00 -0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.18 1cey h MET 17 Cb 0.21 -0.20 0.01 0.00 -0.55 0.00 0.00 31.60 31.07 1cey h MET 17 CO 0.00 0.57 -0.28 0.00 0.14 0.00 0.00 176.91 177.35 1cey h ARG 18 N 0.89 -0.74 -0.52 0.39 3.08 -1.94 -2.43 114.38 113.11 1cey h ARG 18 Ca 0.41 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.67 1cey h ARG 18 Cb 0.40 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1cey h ARG 18 CO -0.18 -0.45 0.41 -0.09 -1.07 0.00 0.00 179.97 178.59 1cey h ARG 19 N -0.88 0.00 0.49 0.04 2.43 -1.79 -0.42 114.38 114.24 1cey h ARG 19 Ca -0.08 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1cey h ARG 19 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1cey h ARG 19 CO 0.13 0.00 -0.23 0.82 -1.51 0.00 0.00 179.97 179.18 1cey h ILE 20 N 0.00 0.29 -0.21 1.20 2.04 -0.91 -3.15 117.51 116.76 1cey h ILE 20 Ca 0.25 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1cey h ILE 20 Cb 1.06 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1cey h ILE 20 CO -0.00 0.05 0.04 -0.37 0.00 0.00 0.00 178.15 177.87 1cey h VAL 21 N -1.04 1.12 -0.38 1.67 -1.51 -0.99 -2.69 116.25 112.42 1cey h VAL 21 Ca -0.07 -0.42 0.07 0.00 -1.23 0.00 0.00 66.70 65.05 1cey h VAL 21 Cb 0.59 0.92 -0.09 0.00 -2.13 0.00 0.00 31.29 30.57 1cey h VAL 21 CO 0.11 0.15 -0.36 0.03 -1.23 0.00 0.00 177.57 176.27 1cey h ARG 22 N 0.30 -0.28 0.69 5.19 2.47 -1.06 0.10 114.38 121.80 1cey h ARG 22 Ca 0.07 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 1cey h ARG 22 Cb 0.15 0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1cey h ARG 22 CO -0.00 -0.18 -0.33 -0.97 0.56 0.00 0.00 179.97 179.04 1cey h ASN 23 N -0.29 -0.79 -0.97 7.04 -0.73 -1.49 -1.86 115.58 116.49 1cey h ASN 23 Ca 0.16 -0.00 0.13 0.00 1.87 0.00 0.00 56.30 58.45 1cey h ASN 23 Cb 0.56 0.20 -0.14 0.00 0.27 0.00 0.00 38.32 39.21 1cey h ASN 23 CO -0.54 -0.46 -0.44 -0.11 -0.37 0.00 0.00 177.43 175.51 1cey n LEU 24 N -5.43 -0.75 -0.28 0.34 0.00 -0.92 0.11 117.00 110.06 1cey n LEU 24 Ca -0.13 1.70 -0.04 0.00 0.00 0.00 0.00 56.01 57.54 1cey n LEU 24 Cb 0.39 -0.34 0.07 0.00 0.00 0.00 0.00 43.42 43.54 1cey n LEU 24 CO 0.34 -1.49 1.19 -0.07 0.00 0.00 0.00 177.39 177.37 1cey h LEU 25 N 0.00 0.90 -0.94 -1.96 3.38 -0.79 -1.85 115.31 114.05 1cey h LEU 25 Ca 0.28 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1cey h LEU 25 Cb 0.52 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1cey h LEU 25 CO -0.95 0.66 0.62 0.50 0.09 0.00 0.00 178.44 179.36 1cey h LYS 26 N 1.06 1.16 -0.58 1.13 3.64 0.17 -1.58 116.57 121.58 1cey h LYS 26 Ca 0.28 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.69 1cey h LYS 26 Cb -0.10 -0.26 -0.08 0.00 -0.41 0.00 0.00 32.23 31.38 1cey h LYS 26 CO -0.06 0.77 0.15 0.93 -2.27 0.00 0.00 179.45 178.97 1cey h GLU 27 N 1.20 0.29 0.45 1.90 5.08 0.67 -2.52 114.58 121.65 1cey h GLU 27 Ca 0.37 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1cey h GLU 27 Cb -0.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1cey h GLU 27 CO -0.12 0.19 -0.22 -0.07 -1.00 0.00 0.00 179.01 177.80 1cey h LEU 28 N 0.30 -0.51 0.00 1.33 4.07 -1.25 -3.47 115.31 115.78 1cey h LEU 28 Ca 0.30 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1cey h LEU 28 Cb 0.41 0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1cey h LEU 28 CO -0.35 -0.16 0.00 0.61 -1.08 0.00 0.00 178.44 177.46 1cey n GLY 29 N -0.49 -0.85 3.21 0.83 0.00 -0.66 -5.09 105.19 102.14 1cey n GLY 29 Ca -0.10 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.52 -0.47 1.61 0.08 -1.16 -4.26 117.98 113.26 1cey s PHE 30 Ca 0.00 1.13 0.07 0.00 0.12 0.00 0.00 56.93 58.25 1cey s PHE 30 Cb 0.00 0.20 0.24 0.00 -0.57 0.00 0.00 43.02 42.89 1cey s PHE 30 CO 0.00 -0.30 0.56 0.09 -0.10 0.00 0.00 175.22 175.47 1cey n ASN 31 N 4.14 1.20 -3.08 1.36 4.13 -1.22 -3.95 115.26 117.84 1cey n ASN 31 Ca -0.23 -2.88 0.05 0.00 1.68 0.00 0.00 54.58 53.20 1cey n ASN 31 Cb 0.55 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 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 -1.42 -0.20 -0.01 6.41 3.84 -1.26 -4.98 114.94 117.33 1cey s ASN 32 Ca 0.36 0.00 -0.12 0.00 0.21 0.00 0.00 52.86 53.32 1cey s ASN 32 Cb 0.14 0.98 0.01 0.00 -0.55 0.00 0.00 41.25 41.84 1cey s ASN 32 CO -0.10 -0.03 0.24 -0.69 -2.79 0.00 0.00 177.10 173.73 1cey s VAL 33 N 2.82 0.07 0.15 -5.21 1.01 -1.26 -2.38 120.40 115.59 1cey s VAL 33 Ca 0.28 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1cey s VAL 33 Cb 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 1cey s VAL 33 CO -0.21 -0.30 0.01 -0.62 0.00 0.00 0.00 175.10 173.98 1cey n GLU 34 N 1.43 1.50 -3.99 2.72 -0.58 -1.00 -4.99 120.64 115.72 1cey n GLU 34 Ca -0.22 -1.10 -0.08 0.00 -0.42 0.00 0.00 57.16 55.34 1cey n GLU 34 Cb 0.56 0.34 -0.10 0.00 -0.57 0.00 0.00 31.44 31.67 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 -2.54 0.53 0.00 3.49 2.02 -1.26 -2.66 118.70 118.29 1cey s GLU 35 Ca 0.01 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1cey s GLU 35 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.43 1cey s GLU 35 CO 0.01 -0.11 0.00 0.00 0.02 0.00 0.00 175.26 175.17 1cey n ALA 36 N 0.74 0.00 -1.68 5.21 0.00 -0.77 -4.93 120.51 119.07 1cey n ALA 36 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1cey n ALA 36 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.61 0.00 0.28 -1.26 -4.25 120.64 111.80 1cey n GLU 37 Ca 0.00 -0.28 -0.05 0.00 -0.16 0.00 0.00 57.16 56.68 1cey n GLU 37 Cb 0.00 -0.22 -0.03 0.00 1.43 0.00 0.00 31.44 32.62 1cey n GLU 37 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1cey s ASP 38 N -0.12 -0.15 0.54 -1.84 -1.08 -1.26 -4.44 116.67 108.33 1cey s ASP 38 Ca 0.00 0.10 0.23 0.00 -0.52 0.00 0.00 52.55 52.36 1cey s ASP 38 Cb 0.00 0.13 1.44 0.00 -1.46 0.00 0.00 42.92 43.03 1cey s ASP 38 CO 0.00 -0.18 2.10 1.23 0.52 0.00 0.00 175.17 178.84 1cey h GLY 39 N 2.14 0.00 1.41 2.66 0.00 -1.84 0.27 103.07 107.71 1cey h GLY 39 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.00 1cey h GLY 39 CO 0.24 0.00 -0.90 -2.08 0.00 0.00 0.00 176.54 173.80 1cey h VAL 40 N 0.00 1.35 -0.45 4.60 2.07 -1.92 0.12 116.25 122.02 1cey h VAL 40 Ca 0.10 -2.26 -0.14 0.00 0.82 0.00 0.00 66.70 65.22 1cey h VAL 40 Cb 0.42 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1cey h VAL 40 CO -0.00 0.69 -0.27 -0.78 0.02 0.00 0.00 177.57 177.23 1cey h ASP 41 N 0.33 1.01 -0.15 0.57 3.58 -1.15 -2.56 116.42 118.05 1cey h ASP 41 Ca -0.08 -0.41 -0.05 0.00 0.42 0.00 0.00 57.03 56.91 1cey h ASP 41 Cb 1.53 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 1cey h ASP 41 CO 0.17 1.20 -0.12 0.00 -2.88 0.00 0.00 179.24 177.61 1cey h ALA 42 N 0.86 0.21 -0.93 -0.78 0.00 -0.56 -2.17 119.26 115.89 1cey h ALA 42 Ca 0.09 -0.31 0.17 0.00 0.00 0.00 0.00 54.91 54.86 1cey h ALA 42 Cb 0.85 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1cey h ALA 42 CO 0.08 0.07 0.59 1.25 0.00 0.00 0.00 179.25 181.23 1cey h LEU 43 N -0.02 0.64 -0.20 0.00 6.46 -0.68 1.61 115.31 123.12 1cey h LEU 43 Ca 0.03 0.05 -0.22 0.00 -0.12 0.00 0.00 57.88 57.62 1cey h LEU 43 Cb 0.63 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1cey h LEU 43 CO 0.03 0.29 -0.93 0.78 -0.62 0.00 0.00 178.44 177.99 1cey h ASN 44 N 0.66 0.44 0.66 1.25 2.35 -1.33 -3.22 115.58 116.39 1cey h ASN 44 Ca 0.48 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1cey h ASN 44 Cb 0.85 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1cey h ASN 44 CO -0.24 1.16 -0.67 0.29 -1.65 0.00 0.00 177.43 176.32 1cey n LYS 45 N -3.71 0.20 0.16 0.81 5.02 -0.20 -3.80 118.16 116.64 1cey n LYS 45 Ca -0.06 0.04 0.11 0.00 -2.02 0.00 0.00 58.31 56.38 1cey n LYS 45 Cb 0.83 -1.61 0.57 0.00 -0.02 0.00 0.00 35.03 34.80 1cey n LYS 45 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1cey n LEU 46 N -1.89 0.56 -0.39 -0.35 -0.00 0.53 0.07 117.00 115.54 1cey n LEU 46 Ca 0.04 0.75 0.12 0.00 -0.00 0.00 0.00 56.01 56.92 1cey n LEU 46 Cb 0.41 -0.79 0.25 0.00 -0.00 0.00 0.00 43.42 43.29 1cey n LEU 46 CO 0.37 -0.89 0.56 0.00 -0.00 0.00 0.00 177.39 177.42 1cey n GLN 47 N -2.24 1.12 -0.07 1.96 6.02 -1.25 -4.46 117.38 118.46 1cey n GLN 47 Ca -0.01 -0.78 -0.06 0.00 -0.01 0.00 0.00 57.00 56.14 1cey n GLN 47 Cb 0.06 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.79 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cey h ALA 48 N 3.87 -0.46 -3.00 -1.58 0.00 -0.59 -3.45 119.26 114.05 1cey h ALA 48 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cey h ALA 48 Cb 0.61 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1cey h ALA 48 CO 0.00 -0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.08 1cey n GLY 49 N -1.15 0.74 2.73 0.00 0.00 -1.26 -5.08 105.19 101.17 1cey n GLY 49 Ca -0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 0.39 -0.10 3.52 -0.02 0.00 -1.26 -5.08 105.19 102.63 1cey n GLY 50 Ca 0.00 0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 1.27 0.80 0.55 1.61 4.01 -1.26 -4.65 117.16 119.50 1cey n TYR 51 Ca 0.07 0.25 0.04 0.00 -0.16 0.00 0.00 57.90 58.09 1cey n TYR 51 Cb 0.66 -2.29 0.22 0.00 -0.31 0.00 0.00 39.34 37.62 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 6.28 -0.28 3.54 2.72 0.00 -1.05 -4.63 105.19 111.77 1cey n GLY 52 Ca 0.57 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.00 -0.52 -0.10 1.61 5.36 -0.08 -4.09 117.98 118.16 1cey s PHE 53 Ca 0.11 0.86 -0.04 0.00 -0.96 0.00 0.00 56.93 56.91 1cey s PHE 53 Cb 0.05 0.44 0.05 0.00 -0.34 0.00 0.00 43.02 43.22 1cey s PHE 53 CO 0.09 -0.50 0.17 0.08 -1.46 0.00 0.00 175.22 173.60 1cey s VAL 54 N -1.28 -0.27 -0.60 3.12 1.01 -0.98 -2.03 120.40 119.38 1cey s VAL 54 Ca -0.06 0.29 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 1cey s VAL 54 Cb -0.00 -0.35 0.14 0.00 0.00 0.00 0.00 36.38 36.17 1cey s VAL 54 CO 0.05 0.10 0.57 -0.63 0.00 0.00 0.00 175.10 175.19 1cey s ILE 55 N 2.30 5.24 0.05 2.22 1.01 -0.34 -1.98 121.20 129.70 1cey s ILE 55 Ca 0.03 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 59.07 1cey s ILE 55 Cb -0.12 -4.38 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 1cey s ILE 55 CO -0.07 -0.92 0.14 -0.94 0.00 0.00 0.00 174.94 173.15 1cey s SER 56 N 3.36 6.00 0.00 3.58 1.04 -1.23 -2.60 113.70 123.84 1cey s SER 56 Ca 0.06 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1cey s SER 56 Cb -0.26 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.09 1cey s SER 56 CO 0.01 0.20 0.00 0.47 0.98 0.00 0.00 173.24 174.90 1cey n ASP 57 N 0.58 0.00 0.00 7.02 9.92 -1.26 -0.03 116.55 132.78 1cey n ASP 57 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1cey n ASP 57 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1cey n TRP 58 N 0.00 -0.20 -3.21 1.24 -0.00 -1.25 -3.32 117.44 110.70 1cey n TRP 58 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.50 57.05 1cey n TRP 58 Cb 0.00 0.04 -0.04 0.00 -0.00 0.00 0.00 31.31 31.31 1cey n TRP 58 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1cey s ASN 59 N -1.20 6.28 0.20 5.87 3.84 -1.26 -3.29 114.94 125.38 1cey s ASN 59 Ca 0.00 -1.77 0.05 0.00 0.21 0.00 0.00 52.86 51.35 1cey s ASN 59 Cb 0.00 -2.26 -0.05 0.00 -0.55 0.00 0.00 41.25 38.39 1cey s ASN 59 CO 0.00 -0.94 -0.07 0.00 -2.79 0.00 0.00 177.10 173.30 1cey s MET 60 N 1.93 1.24 0.59 0.43 0.23 -1.26 -4.94 119.30 117.52 1cey s MET 60 Ca 0.10 -1.58 -0.19 0.00 -1.03 0.00 0.00 55.69 52.99 1cey s MET 60 Cb -0.24 -0.75 -0.05 0.00 -1.53 0.00 0.00 34.83 32.26 1cey s MET 60 CO 0.02 0.03 1.07 -2.30 -2.03 0.00 0.00 175.02 171.81 1cey n PRO 61 N -0.34 1.05 0.00 3.16 -0.01 -1.26 -4.59 135.00 133.01 1cey n PRO 61 Ca -0.08 0.40 0.00 0.00 -0.01 0.00 0.00 63.50 63.82 1cey n PRO 61 Cb 0.62 -2.27 0.00 0.00 -0.01 0.00 0.00 33.50 31.84 1cey n PRO 61 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1cey n ASN 62 N -0.91 -2.06 -4.32 2.55 3.02 -1.26 -4.67 115.26 107.61 1cey n ASN 62 Ca 0.13 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.33 1cey n ASN 62 Cb 0.47 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.71 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1cey n MET 63 N 0.00 0.02 -1.82 3.52 2.81 -1.26 -4.94 117.12 115.44 1cey n MET 63 Ca 0.00 0.04 -0.29 0.00 -1.81 0.00 0.00 57.70 55.64 1cey n MET 63 Cb 0.00 -1.57 0.14 0.00 -0.71 0.00 0.00 33.22 31.08 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 -1.49 3.73 0.00 7.83 -4.77 -1.26 -4.66 116.67 116.05 1cey s ASP 64 Ca 0.56 0.63 0.01 0.00 -3.30 0.00 0.00 52.55 50.45 1cey s ASP 64 Cb -0.28 -0.97 0.07 0.00 -1.09 0.00 0.00 42.92 40.65 1cey s ASP 64 CO 0.67 -2.38 0.71 0.61 0.70 0.00 0.00 175.17 175.48 1cey n GLY 65 N -3.20 -0.19 0.18 2.12 0.00 -1.21 -2.50 105.19 100.39 1cey n GLY 65 Ca 0.10 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.34 0.00 0.99 5.85 -1.88 0.21 115.31 120.13 1cey h LEU 66 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1cey h LEU 66 Cb 0.01 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1cey h LEU 66 CO 0.00 -0.21 0.00 1.21 -0.34 0.00 0.00 178.44 179.10 1cey n GLU 67 N -5.25 0.05 -0.03 1.25 4.07 -1.04 -1.33 120.64 118.35 1cey n GLU 67 Ca -0.08 0.19 -0.01 0.00 -0.06 0.00 0.00 57.16 57.19 1cey n GLU 67 Cb 0.17 -1.50 -0.00 0.00 -0.06 0.00 0.00 31.44 30.05 1cey n GLU 67 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1cey h LEU 68 N 0.00 0.00 -1.43 4.31 5.85 -0.77 -2.40 115.31 120.87 1cey h LEU 68 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1cey h LEU 68 Cb 0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1cey h LEU 68 CO 0.00 0.35 -0.08 0.17 -0.34 0.00 0.00 178.44 178.54 1cey h LEU 69 N -0.54 0.26 0.61 2.25 8.10 -1.30 0.02 115.31 124.71 1cey h LEU 69 Ca 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 57.88 57.91 1cey h LEU 69 Cb 0.15 -0.07 0.01 0.00 -0.44 0.00 0.00 40.66 40.31 1cey h LEU 69 CO 0.00 0.38 -0.29 0.50 -4.11 0.00 0.00 178.44 174.91 1cey h LYS 70 N 0.27 -0.79 -0.99 0.17 3.64 -1.37 -1.58 116.57 115.91 1cey h LYS 70 Ca 0.06 0.05 0.18 0.00 -1.27 0.00 0.00 60.65 59.68 1cey h LYS 70 Cb 0.31 0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 32.21 1cey h LYS 70 CO 0.02 -0.53 0.59 1.15 -2.27 0.00 0.00 179.45 178.41 1cey h THR 71 N -1.17 0.71 0.00 1.00 2.02 -1.29 1.06 112.91 115.24 1cey h THR 71 Ca -0.08 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1cey h THR 71 Cb 0.63 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1cey h THR 71 CO 0.14 0.14 -0.03 0.40 0.37 0.00 0.00 175.52 176.54 1cey h ILE 72 N 0.76 0.95 0.00 3.11 2.04 -0.88 -0.21 117.51 123.29 1cey h ILE 72 Ca 0.57 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 66.25 1cey h ILE 72 Cb 0.86 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1cey h ILE 72 CO -0.38 0.03 -0.61 -0.09 0.00 0.00 0.00 178.15 177.10 1cey h ARG 73 N 0.00 0.00 -0.98 2.37 1.12 0.21 -3.30 114.38 113.79 1cey h ARG 73 Ca -0.00 0.00 0.28 0.00 -1.11 0.00 0.00 59.98 59.15 1cey h ARG 73 Cb 0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 29.98 1cey h ARG 73 CO 0.00 0.24 0.94 0.00 -3.11 0.00 0.00 179.97 178.04 1cey h ALA 74 N 1.71 2.84 0.10 2.80 0.00 0.95 0.19 119.26 127.86 1cey h ALA 74 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1cey h ALA 74 Cb 1.25 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1cey h ALA 74 CO 0.03 -1.45 -0.05 0.22 0.00 0.00 0.00 179.25 178.01 1cey h ASP 75 N 0.00 -0.11 0.00 0.00 3.58 -1.70 -3.46 116.42 114.73 1cey h ASP 75 Ca 0.47 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1cey h ASP 75 Cb 2.34 0.03 0.00 0.00 1.72 0.00 0.00 39.33 43.42 1cey h ASP 75 CO -0.00 0.50 0.00 0.61 -2.88 0.00 0.00 179.24 177.46 1cey n GLY 76 N 0.75 2.80 0.00 -0.78 0.00 0.68 -4.81 105.19 103.82 1cey n GLY 76 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.04 0.00 -0.03 4.61 0.00 -1.26 -4.81 120.51 119.06 1cey n ALA 77 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cey n ALA 77 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.27 0.66 0.00 0.00 2.81 -1.26 -5.02 117.12 114.04 1cey n MET 78 Ca 0.00 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1cey n MET 78 Cb 0.00 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 1cey n MET 78 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1cey n SER 79 N -2.66 0.00 -2.75 7.83 7.64 -1.26 -3.31 113.62 119.11 1cey n SER 79 Ca -0.17 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.67 1cey n SER 79 Cb 0.88 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 64.12 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cey n ALA 80 N 10.61 2.98 -0.87 -0.43 0.00 -1.26 -5.03 120.51 126.51 1cey n ALA 80 Ca 0.00 -2.93 0.11 0.00 0.00 0.00 0.00 53.44 50.61 1cey n ALA 80 Cb 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.39 -0.42 -4.62 0.00 4.32 -1.21 -4.63 117.00 110.06 1cey n LEU 81 Ca 0.09 0.94 -0.46 0.00 -0.02 0.00 0.00 56.01 56.55 1cey n LEU 81 Cb 0.81 -2.83 -0.03 0.00 -1.62 0.00 0.00 43.42 39.75 1cey n LEU 81 CO 0.16 -2.02 0.80 -2.65 -1.22 0.00 0.00 177.39 172.45 1cey n PRO 82 N -2.78 1.54 -4.00 3.23 -0.01 -1.26 -4.88 135.00 126.85 1cey n PRO 82 Ca -0.00 0.55 -0.30 0.00 -0.01 0.00 0.00 63.50 63.73 1cey n PRO 82 Cb 0.60 -2.08 -0.16 0.00 -0.01 0.00 0.00 33.50 31.85 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 -0.37 1.63 -0.44 -1.45 1.01 -1.26 -2.31 120.40 117.21 1cey s VAL 83 Ca 0.68 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1cey s VAL 83 Cb -0.74 -1.67 0.07 0.00 0.00 0.00 0.00 36.38 34.04 1cey s VAL 83 CO 0.53 0.23 0.33 -0.22 0.00 0.00 0.00 175.10 175.97 1cey s LEU 84 N 1.41 5.36 0.74 3.92 2.96 -0.84 -0.81 118.68 131.42 1cey s LEU 84 Ca 0.00 -1.32 -0.14 0.00 -0.22 0.00 0.00 54.13 52.45 1cey s LEU 84 Cb -0.16 -2.11 0.04 0.00 0.50 0.00 0.00 46.19 44.47 1cey s LEU 84 CO -0.09 -0.58 1.14 -0.32 -1.32 0.00 0.00 176.35 175.19 1cey s MET 85 N 1.57 2.25 0.00 1.98 1.75 -1.00 -3.56 119.30 122.29 1cey s MET 85 Ca 0.04 1.50 0.02 0.00 -1.25 0.00 0.00 55.69 55.99 1cey s MET 85 Cb -0.23 -1.87 -0.01 0.00 2.84 0.00 0.00 34.83 35.56 1cey s MET 85 CO 0.05 -1.70 -0.06 0.08 -0.65 0.00 0.00 175.02 172.75 1cey s VAL 86 N -2.36 0.48 0.32 10.11 1.01 0.96 -2.31 120.40 128.61 1cey s VAL 86 Ca 0.68 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 1cey s VAL 86 Cb -0.23 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1cey s VAL 86 CO 0.47 0.08 0.50 0.28 0.00 0.00 0.00 175.10 176.43 1cey s THR 87 N -0.27 0.00 0.00 3.92 -1.32 -0.95 -3.82 115.64 113.20 1cey s THR 87 Ca 0.01 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 58.99 1cey s THR 87 Cb -0.03 -2.57 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 1cey s THR 87 CO -0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 1cey n ALA 88 N -0.51 0.00 -1.52 11.08 0.00 -1.26 0.50 120.51 128.80 1cey n ALA 88 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 1cey n ALA 88 Cb 0.62 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 0.32 -1.66 0.00 0.28 -1.26 -4.55 120.64 113.77 1cey n GLU 89 Ca 0.00 -0.61 -0.56 0.00 -0.16 0.00 0.00 57.16 55.83 1cey n GLU 89 Cb 0.00 -2.74 -0.07 0.00 1.43 0.00 0.00 31.44 30.06 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 14.02 0.09 0.55 -1.84 0.00 -1.26 -4.79 120.51 127.28 1cey n ALA 90 Ca 0.51 0.31 0.10 0.00 0.00 0.00 0.00 53.44 54.37 1cey n ALA 90 Cb 0.34 -2.29 0.27 0.00 0.00 0.00 0.00 19.45 17.77 1cey n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1cey n LYS 91 N 5.96 2.19 0.00 0.00 4.81 -1.26 -4.95 118.16 124.91 1cey n LYS 91 Ca 0.29 -1.82 0.00 0.00 -0.87 0.00 0.00 58.31 55.91 1cey n LYS 91 Cb 0.15 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 33.76 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 1.01 0.00 -0.38 1.64 4.81 -1.26 -4.46 118.16 119.51 1cey n LYS 92 Ca 0.18 0.00 0.32 0.00 -0.87 0.00 0.00 58.31 57.94 1cey n LYS 92 Cb 0.47 0.00 0.63 0.00 0.02 0.00 0.00 35.03 36.15 1cey n LYS 92 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1cey h GLU 93 N 0.00 0.18 0.10 1.64 3.07 -2.00 0.71 114.58 118.28 1cey h GLU 93 Ca 0.00 -0.01 -0.23 0.00 -0.50 0.00 0.00 59.36 58.62 1cey h GLU 93 Cb 0.00 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1cey h GLU 93 CO 0.00 0.12 -1.13 -0.97 -1.40 0.00 0.00 179.01 175.63 1cey h ASN 94 N 0.19 0.33 -0.91 1.42 -0.00 -1.97 -3.09 115.58 111.55 1cey h ASN 94 Ca 0.68 -0.86 0.22 0.00 -0.00 0.00 0.00 56.30 56.34 1cey h ASN 94 Cb 2.14 -0.11 -0.12 0.00 -0.00 0.00 0.00 38.32 40.23 1cey h ASN 94 CO -0.25 1.50 0.43 0.40 -0.00 0.00 0.00 177.43 179.51 1cey h ILE 95 N -0.45 0.51 0.00 2.57 1.08 -1.27 1.14 117.51 121.10 1cey h ILE 95 Ca -0.24 -0.16 -0.08 0.00 -0.39 0.00 0.00 64.86 63.99 1cey h ILE 95 Cb 1.62 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1cey h ILE 95 CO 0.05 0.08 -0.38 0.40 -0.69 0.00 0.00 178.15 177.62 1cey h ILE 96 N 0.46 0.93 0.17 -0.67 2.04 -1.27 0.48 117.51 119.64 1cey h ILE 96 Ca 0.56 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1cey h ILE 96 Cb 1.04 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1cey h ILE 96 CO -0.50 0.37 -0.08 0.00 0.00 0.00 0.00 178.15 177.94 1cey h ALA 97 N 1.62 -0.23 0.04 1.87 0.00 0.14 1.18 119.26 123.89 1cey h ALA 97 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1cey h ALA 97 Cb 0.86 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1cey h ALA 97 CO 0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 179.25 178.68 1cey h ALA 98 N 0.54 -0.05 -0.14 0.00 0.00 -1.34 -3.16 119.26 115.12 1cey h ALA 98 Ca -0.02 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.59 1cey h ALA 98 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1cey h ALA 98 CO 0.04 -0.14 0.11 0.00 0.00 0.00 0.00 179.25 179.26 1cey h ALA 99 N 0.00 1.95 -0.59 0.00 0.00 -0.92 0.78 119.26 120.48 1cey h ALA 99 Ca -0.01 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1cey h ALA 99 Cb 0.69 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1cey h ALA 99 CO 0.01 -0.18 0.40 0.37 0.00 0.00 0.00 179.25 179.84 1cey h GLN 100 N 0.00 0.35 0.00 0.00 4.15 0.15 2.83 115.11 122.58 1cey h GLN 100 Ca 0.06 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 1cey h GLN 100 Cb 0.29 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1cey h GLN 100 CO -0.00 0.23 -0.47 0.00 -1.93 0.00 0.00 178.83 176.66 1cey h ALA 101 N 1.71 0.78 -5.12 3.38 0.00 0.40 -3.49 119.26 116.92 1cey h ALA 101 Ca 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1cey h ALA 101 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1cey h ALA 101 CO -0.07 0.29 -0.32 0.41 0.00 0.00 0.00 179.25 179.56 1cey n GLY 102 N 1.18 -1.24 0.00 0.00 0.00 0.95 -4.93 105.19 101.15 1cey n GLY 102 Ca 0.01 0.93 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 -0.74 0.00 -0.11 4.61 0.00 -1.26 -4.95 120.51 118.06 1cey n ALA 103 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 1cey n ALA 103 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 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 0.01 -4.83 113.62 118.31 1cey n SER 104 Ca 0.00 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.31 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 1.42 -0.56 2.91 0.23 0.00 -1.25 -5.02 105.19 102.92 1cey n GLY 105 Ca -0.33 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 1cey n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1cey s TYR 106 N -3.26 -0.19 -0.04 1.61 -0.85 -1.26 -2.37 117.35 110.99 1cey s TYR 106 Ca 0.00 0.55 0.04 0.00 -0.52 0.00 0.00 57.07 57.15 1cey s TYR 106 Cb 0.00 -0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.20 1cey s TYR 106 CO 0.00 -0.20 -0.16 0.54 -1.52 0.00 0.00 175.55 174.21 1cey s VAL 107 N 1.50 2.92 0.48 -3.49 0.11 -0.98 -5.01 120.40 115.93 1cey s VAL 107 Ca -0.06 -0.80 -0.16 0.00 -2.93 0.00 0.00 61.98 58.03 1cey s VAL 107 Cb -0.12 -2.13 -0.08 0.00 -1.53 0.00 0.00 36.38 32.52 1cey s VAL 107 CO -0.06 0.58 0.94 -0.69 -3.33 0.00 0.00 175.10 172.53 1cey s VAL 108 N -0.73 4.56 0.11 2.04 1.01 -1.26 -2.25 120.40 123.89 1cey s VAL 108 Ca 0.11 1.15 0.06 0.00 0.00 0.00 0.00 61.98 63.30 1cey s VAL 108 Cb -0.11 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1cey s VAL 108 CO 0.01 -0.59 -0.15 -1.59 0.00 0.00 0.00 175.10 172.78 1cey s LYS 109 N -3.87 1.00 0.12 2.72 0.00 0.18 -3.70 119.74 116.19 1cey s LYS 109 Ca 0.58 -1.18 -0.30 0.00 0.00 0.00 0.00 55.97 55.06 1cey s LYS 109 Cb -0.10 -0.94 -0.07 0.00 0.00 0.00 0.00 37.83 36.73 1cey s LYS 109 CO 0.28 0.19 1.20 -1.25 0.00 0.00 0.00 175.35 175.77 1cey s PRO 110 N -2.43 4.46 0.30 1.78 0.05 -1.26 -4.46 135.00 133.45 1cey s PRO 110 Ca 0.07 1.81 0.05 0.00 0.05 0.00 0.00 61.00 62.98 1cey s PRO 110 Cb -0.06 -3.30 -0.02 0.00 0.05 0.00 0.00 34.50 31.17 1cey s PRO 110 CO 0.03 -0.17 0.44 -0.59 0.05 0.00 0.00 177.00 176.76 1cey s PHE 111 N 0.57 3.31 0.09 0.56 -0.12 -1.24 -5.10 117.98 116.04 1cey s PHE 111 Ca 0.56 -0.04 -0.08 0.00 -0.05 0.00 0.00 56.93 57.32 1cey s PHE 111 Cb -0.31 -1.82 -0.06 0.00 -0.63 0.00 0.00 43.02 40.20 1cey s PHE 111 CO 0.32 0.17 0.38 0.99 -0.05 0.00 0.00 175.22 177.03 1cey s THR 112 N -2.13 5.14 0.52 -4.49 2.01 -1.26 -4.83 115.64 110.60 1cey s THR 112 Ca 0.40 0.30 0.34 0.00 0.31 0.00 0.00 61.69 63.04 1cey s THR 112 Cb -0.09 -3.63 0.53 0.00 0.01 0.00 0.00 72.50 69.32 1cey s THR 112 CO 0.31 0.23 1.78 0.00 -0.69 0.00 0.00 174.62 176.25 1cey h ALA 113 N 3.49 3.00 -0.08 7.40 0.00 -1.98 2.09 119.26 133.19 1cey h ALA 113 Ca -0.48 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 1cey h ALA 113 Cb 1.19 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1cey h ALA 113 CO 0.68 -1.37 -0.63 0.00 0.00 0.00 0.00 179.25 177.93 1cey h ALA 114 N 1.43 0.78 0.18 0.00 0.00 -1.97 0.78 119.26 120.46 1cey h ALA 114 Ca 0.59 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1cey h ALA 114 Cb 2.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1cey h ALA 114 CO -0.07 0.74 -0.09 1.15 0.00 0.00 0.00 179.25 180.98 1cey h THR 115 N 0.22 0.00 -0.97 0.00 2.02 0.29 0.31 112.91 114.78 1cey h THR 115 Ca -0.01 -0.26 0.26 0.00 0.77 0.00 0.00 66.41 67.17 1cey h THR 115 Cb 1.15 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.43 1cey h THR 115 CO 0.10 0.00 0.51 0.25 0.37 0.00 0.00 175.52 176.75 1cey h LEU 116 N -0.50 0.50 0.65 2.58 5.85 -1.03 -0.82 115.31 122.53 1cey h LEU 116 Ca -0.02 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1cey h LEU 116 Cb 0.19 0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.33 1cey h LEU 116 CO 0.04 -0.01 -0.31 -0.08 -0.34 0.00 0.00 178.44 177.74 1cey h GLU 117 N 0.44 -0.84 -0.82 1.25 4.81 -0.82 0.09 114.58 118.69 1cey h GLU 117 Ca 0.64 0.06 0.18 0.00 -0.13 0.00 0.00 59.36 60.11 1cey h GLU 117 Cb 1.30 0.19 -0.15 0.00 0.63 0.00 0.00 28.75 30.72 1cey h GLU 117 CO -0.54 -0.52 -0.09 1.49 -0.73 0.00 0.00 179.01 178.63 1cey h GLU 118 N -1.09 0.04 -0.18 1.92 4.57 0.96 0.30 114.58 121.11 1cey h GLU 118 Ca -0.09 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 1cey h GLU 118 Cb 0.71 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1cey h GLU 118 CO 0.15 0.03 0.01 0.87 -1.18 0.00 0.00 179.01 178.89 1cey h LYS 119 N 0.04 0.31 -1.00 1.92 1.79 -1.17 -1.69 116.57 116.78 1cey h LYS 119 Ca 0.43 -0.09 0.10 0.00 -2.18 0.00 0.00 60.65 58.91 1cey h LYS 119 Cb 0.75 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 31.29 1cey h LYS 119 CO -0.79 0.50 0.63 1.25 -1.08 0.00 0.00 179.45 179.97 1cey h LEU 120 N 0.08 0.95 -0.19 2.94 5.85 0.14 0.40 115.31 125.47 1cey h LEU 120 Ca 0.05 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1cey h LEU 120 Cb 0.35 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1cey h LEU 120 CO 0.01 0.54 -0.07 0.78 -0.34 0.00 0.00 178.44 179.35 1cey h ASN 121 N 1.04 0.39 1.11 1.25 4.21 -0.31 0.27 115.58 123.53 1cey h ASN 121 Ca 0.47 -0.40 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1cey h ASN 121 Cb 0.39 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1cey h ASN 121 CO -0.23 0.70 0.00 0.11 -1.29 0.00 0.00 177.43 176.72 1cey h LYS 122 N 0.08 0.00 0.14 0.81 1.57 -0.56 -0.92 116.57 117.68 1cey h LYS 122 Ca 0.04 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.47 1cey h LYS 122 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1cey h LYS 122 CO 0.02 0.00 -1.90 0.82 -0.57 0.00 0.00 179.45 177.82 1cey h ILE 123 N 0.00 0.71 -0.05 1.86 2.04 0.04 -3.37 117.51 118.74 1cey h ILE 123 Ca 0.00 -2.38 -0.18 0.00 1.00 0.00 0.00 64.86 63.31 1cey h ILE 123 Cb 0.56 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1cey h ILE 123 CO 0.00 0.87 -0.74 -0.26 0.00 0.00 0.00 178.15 178.02 1cey h PHE 124 N 0.04 0.41 -0.72 1.37 -1.00 -0.40 -2.83 116.94 113.81 1cey h PHE 124 Ca -0.40 -0.19 0.21 0.00 2.81 0.00 0.00 57.97 60.40 1cey h PHE 124 Cb 2.02 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 41.49 1cey h PHE 124 CO 0.09 0.94 0.61 0.93 -1.61 0.00 0.00 178.31 179.26 1cey h GLU 125 N 0.20 0.00 0.00 1.51 4.39 -1.32 1.60 114.58 120.95 1cey h GLU 125 Ca -0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1cey h GLU 125 Cb 1.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1cey h GLU 125 CO 0.12 0.00 -1.19 1.63 -1.16 0.00 0.00 179.01 178.41 1cey n LYS 126 N -3.96 0.61 0.17 2.33 4.76 -1.09 -3.75 118.16 117.25 1cey n LYS 126 Ca 0.14 0.14 0.10 0.00 -2.87 0.00 0.00 58.31 55.83 1cey n LYS 126 Cb 0.87 -1.80 0.10 0.00 -1.84 0.00 0.00 35.03 32.36 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1cey h LEU 127 N 0.00 0.00 -3.30 -0.35 5.85 0.22 -3.48 115.31 114.24 1cey h LEU 127 Ca -0.05 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.34 1cey h LEU 127 Cb 1.19 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.23 1cey h LEU 127 CO 0.01 0.07 -0.96 0.61 -0.34 0.00 0.00 178.44 177.84 1cey n GLY 128 N 1.15 -0.62 0.48 3.75 0.00 0.21 -5.07 105.19 105.08 1cey n GLY 128 Ca 0.02 0.96 0.14 0.00 0.00 0.00 0.00 46.02 47.14 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35