#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 -3.11 -1.15 0.00 -0.08 -1.26 -4.70 116.55 106.25 1cey n ASP 3 Ca 0.00 0.22 0.04 0.00 -1.51 0.00 0.00 54.79 53.54 1cey n ASP 3 Cb 0.00 0.00 0.21 0.00 2.34 0.00 0.00 41.12 43.67 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 -0.42 2.87 -2.72 -0.67 4.01 -1.26 -4.20 118.16 115.77 1cey n LYS 4 Ca 0.00 -1.61 -0.02 0.00 -0.51 0.00 0.00 58.31 56.16 1cey n LYS 4 Cb 0.00 -1.81 0.10 0.00 -0.51 0.00 0.00 35.03 32.81 1cey n LYS 4 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1cey n GLU 5 N 0.38 1.44 -2.74 1.97 0.00 -1.26 -2.50 120.64 117.92 1cey n GLU 5 Ca 0.14 -2.10 -0.43 0.00 0.00 0.00 0.00 57.16 54.78 1cey n GLU 5 Cb 0.68 -0.34 -0.03 0.00 0.00 0.00 0.00 31.44 31.76 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1cey s LEU 6 N -3.86 4.05 0.05 4.31 2.96 -1.26 -4.89 118.68 120.04 1cey s LEU 6 Ca 0.17 1.13 -0.30 0.00 -0.22 0.00 0.00 54.13 54.90 1cey s LEU 6 Cb 0.41 -3.41 -0.08 0.00 0.50 0.00 0.00 46.19 43.61 1cey s LEU 6 CO -0.09 -0.69 1.73 -0.54 -1.32 0.00 0.00 176.35 175.44 1cey s LYS 7 N 3.22 4.18 0.03 1.98 1.02 -1.26 -4.67 119.74 124.23 1cey s LYS 7 Ca 0.41 2.39 0.06 0.00 0.02 0.00 0.00 55.97 58.85 1cey s LYS 7 Cb -0.14 -3.77 -0.03 0.00 -0.52 0.00 0.00 37.83 33.37 1cey s LYS 7 CO 0.10 -0.81 -0.17 -0.06 -0.92 0.00 0.00 175.35 173.49 1cey s PHE 8 N 3.22 2.60 -0.25 3.18 0.40 -0.84 -1.03 117.98 125.25 1cey s PHE 8 Ca 0.77 -0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.89 1cey s PHE 8 Cb -0.40 -1.49 0.05 0.00 0.51 0.00 0.00 43.02 41.69 1cey s PHE 8 CO 0.34 0.25 -0.11 -1.17 0.70 0.00 0.00 175.22 175.23 1cey s LEU 9 N -1.36 3.32 -0.57 -0.37 2.96 -0.82 -2.00 118.68 119.83 1cey s LEU 9 Ca 0.15 -1.26 -0.19 0.00 -0.22 0.00 0.00 54.13 52.61 1cey s LEU 9 Cb -0.11 -1.57 0.10 0.00 0.50 0.00 0.00 46.19 45.12 1cey s LEU 9 CO 0.05 -0.17 0.67 0.68 -1.32 0.00 0.00 176.35 176.25 1cey s VAL 10 N 1.15 4.88 -0.62 1.68 -7.23 -1.06 -0.38 120.40 118.82 1cey s VAL 10 Ca -0.06 -1.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.92 1cey s VAL 10 Cb -0.19 -4.44 0.11 0.00 0.56 0.00 0.00 36.38 32.42 1cey s VAL 10 CO -0.06 -1.05 0.72 -0.69 -0.31 0.00 0.00 175.10 173.72 1cey s VAL 11 N 2.53 4.87 -0.17 1.32 1.01 -1.00 -2.57 120.40 126.40 1cey s VAL 11 Ca 0.11 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 1cey s VAL 11 Cb -0.24 -4.50 0.06 0.00 0.00 0.00 0.00 36.38 31.69 1cey s VAL 11 CO 0.06 -1.13 0.60 -0.62 0.00 0.00 0.00 175.10 174.01 1cey s ASP 12 N 3.56 -0.60 -0.78 3.32 -1.08 -1.05 -3.22 116.67 116.82 1cey s ASP 12 Ca 0.13 1.02 -0.18 0.00 -0.52 0.00 0.00 52.55 53.00 1cey s ASP 12 Cb -0.23 1.02 0.15 0.00 -1.46 0.00 0.00 42.92 42.40 1cey s ASP 12 CO 0.04 -0.31 0.88 -1.81 0.52 0.00 0.00 175.17 174.49 1cey s ASP 13 N -0.13 6.50 -0.09 -0.34 1.01 -1.26 -4.78 116.67 117.59 1cey s ASP 13 Ca -0.03 -1.99 -0.31 0.00 0.71 0.00 0.00 52.55 50.93 1cey s ASP 13 Cb -0.03 -2.31 0.08 0.00 1.01 0.00 0.00 42.92 41.67 1cey s ASP 13 CO 0.03 -0.95 0.76 0.12 0.21 0.00 0.00 175.17 175.34 1cey s PHE 14 N 2.01 -0.59 -0.93 4.23 2.19 -1.26 -5.02 117.98 118.60 1cey s PHE 14 Ca 0.21 1.04 0.12 0.00 0.33 0.00 0.00 56.93 58.62 1cey s PHE 14 Cb -0.13 0.41 0.55 0.00 -1.31 0.00 0.00 43.02 42.54 1cey s PHE 14 CO -0.03 -0.53 1.39 0.45 1.83 0.00 0.00 175.22 178.32 1cey n SER 15 N 0.94 3.90 0.00 6.13 2.88 -1.26 -4.15 113.62 122.06 1cey n SER 15 Ca -0.17 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 1cey n SER 15 Cb 0.57 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1cey n SER 15 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1cey n THR 16 N 0.63 0.00 0.22 2.46 -2.24 -1.26 -4.84 114.28 109.25 1cey n THR 16 Ca 0.19 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.89 1cey n THR 16 Cb 0.78 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.53 -1.15 -0.78 -1.53 -1.96 0.13 114.93 109.11 1cey h MET 17 Ca 0.00 0.04 0.32 0.00 -3.44 0.00 0.00 59.70 56.62 1cey h MET 17 Cb 0.00 0.12 -0.08 0.00 -0.55 0.00 0.00 31.60 31.09 1cey h MET 17 CO 0.00 -0.35 0.78 0.07 0.14 0.00 0.00 176.91 177.54 1cey h ARG 18 N -0.57 0.19 -0.18 0.39 0.11 -1.89 0.43 114.38 112.85 1cey h ARG 18 Ca -0.06 -0.01 -0.20 0.00 0.10 0.00 0.00 59.98 59.81 1cey h ARG 18 Cb 0.42 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1cey h ARG 18 CO 0.09 0.12 -0.68 0.00 0.10 0.00 0.00 179.97 179.60 1cey h ARG 19 N 0.19 0.72 0.48 0.08 3.08 -1.77 -1.38 114.38 115.78 1cey h ARG 19 Ca 0.62 -0.54 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1cey h ARG 19 Cb 1.98 0.09 0.00 0.00 0.08 0.00 0.00 29.97 32.13 1cey h ARG 19 CO -0.19 1.16 -0.23 0.82 -1.07 0.00 0.00 179.97 180.46 1cey h ILE 20 N 0.52 0.47 -0.10 2.04 2.04 0.26 -2.94 117.51 119.79 1cey h ILE 20 Ca -0.02 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1cey h ILE 20 Cb 1.29 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1cey h ILE 20 CO 0.14 0.05 -0.06 -0.37 0.00 0.00 0.00 178.15 177.91 1cey h VAL 21 N -0.87 1.11 -0.15 1.67 -1.51 -1.45 -2.28 116.25 112.77 1cey h VAL 21 Ca -0.07 -0.45 0.05 0.00 -1.23 0.00 0.00 66.70 65.00 1cey h VAL 21 Cb 0.58 1.10 -0.06 0.00 -2.13 0.00 0.00 31.29 30.78 1cey h VAL 21 CO 0.11 0.14 -0.29 0.03 -1.23 0.00 0.00 177.57 176.33 1cey h ARG 22 N 0.14 -0.33 0.52 5.19 2.47 -1.07 -0.37 114.38 120.94 1cey h ARG 22 Ca 0.03 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1cey h ARG 22 Cb 0.20 0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1cey h ARG 22 CO 0.01 -0.22 -0.25 -0.97 0.56 0.00 0.00 179.97 179.10 1cey h ASN 23 N -0.35 -0.60 -0.89 7.04 -1.24 -1.41 -2.71 115.58 115.43 1cey h ASN 23 Ca 0.11 -0.06 0.08 0.00 0.71 0.00 0.00 56.30 57.14 1cey h ASN 23 Cb 0.51 0.15 -0.11 0.00 0.73 0.00 0.00 38.32 39.60 1cey h ASN 23 CO -0.35 -0.24 -0.51 -0.11 -1.29 0.00 0.00 177.43 174.93 1cey n LEU 24 N -5.29 -0.91 -0.07 0.34 0.00 -0.88 0.54 117.00 110.73 1cey n LEU 24 Ca -0.11 1.57 -0.07 0.00 0.00 0.00 0.00 56.01 57.41 1cey n LEU 24 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 43.42 43.52 1cey n LEU 24 CO 0.30 -1.29 0.80 -0.07 0.00 0.00 0.00 177.39 177.13 1cey h LEU 25 N 0.00 -0.30 -1.10 -1.96 3.38 -1.10 -0.32 115.31 113.92 1cey h LEU 25 Ca 0.16 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.31 1cey h LEU 25 Cb 0.38 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1cey h LEU 25 CO -0.84 -0.11 0.61 0.50 0.09 0.00 0.00 178.44 178.70 1cey h LYS 26 N -0.02 0.97 -0.67 1.13 3.64 0.44 -0.63 116.57 121.43 1cey h LYS 26 Ca 0.14 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.55 1cey h LYS 26 Cb 0.23 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 31.76 1cey h LYS 26 CO -0.30 0.64 0.32 1.49 -2.27 0.00 0.00 179.45 179.33 1cey h GLU 27 N 1.00 0.54 0.45 1.90 4.57 0.19 -2.80 114.58 120.44 1cey h GLU 27 Ca 0.44 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.56 1cey h GLU 27 Cb 0.35 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1cey h GLU 27 CO -0.20 0.36 -0.22 -0.07 -1.18 0.00 0.00 179.01 177.70 1cey h LEU 28 N 0.56 -0.52 0.00 1.64 3.38 -0.76 -3.48 115.31 116.13 1cey h LEU 28 Ca 0.33 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1cey h LEU 28 Cb 0.35 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1cey h LEU 28 CO -0.26 -0.10 0.00 0.61 0.09 0.00 0.00 178.44 178.78 1cey n GLY 29 N -0.00 -0.84 3.26 0.83 0.00 -0.39 -4.99 105.19 103.06 1cey n GLY 29 Ca -0.09 0.34 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.16 -0.41 1.61 0.08 -1.21 -4.10 117.98 113.79 1cey s PHE 30 Ca 0.00 0.16 0.09 0.00 0.12 0.00 0.00 56.93 57.30 1cey s PHE 30 Cb 0.00 0.11 0.32 0.00 -0.57 0.00 0.00 43.02 42.88 1cey s PHE 30 CO 0.00 -0.46 0.81 0.27 -0.10 0.00 0.00 175.22 175.75 1cey n ASN 31 N 0.92 -0.39 -3.07 1.36 0.23 -1.04 -4.28 115.26 108.99 1cey n ASN 31 Ca -0.20 -3.17 0.05 0.00 -0.53 0.00 0.00 54.58 50.73 1cey n ASN 31 Cb 0.58 0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.51 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1cey s ASN 32 N -1.88 -0.29 -0.02 0.53 3.84 -1.26 -4.90 114.94 110.96 1cey s ASN 32 Ca 0.34 -0.00 -0.16 0.00 0.21 0.00 0.00 52.86 53.25 1cey s ASN 32 Cb 0.30 1.01 0.03 0.00 -0.55 0.00 0.00 41.25 42.04 1cey s ASN 32 CO -0.09 -0.05 0.33 0.54 -2.79 0.00 0.00 177.10 175.04 1cey s VAL 33 N 2.76 0.05 0.00 -5.21 0.11 -1.26 -1.99 120.40 114.86 1cey s VAL 33 Ca 0.27 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1cey s VAL 33 Cb -0.00 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 1cey s VAL 33 CO -0.21 -0.24 0.00 -0.62 -3.33 0.00 0.00 175.10 170.69 1cey n GLU 34 N 1.25 1.86 -3.78 1.54 1.02 -0.85 -4.97 120.64 116.71 1cey n GLU 34 Ca -0.21 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.80 1cey n GLU 34 Cb 0.56 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.89 1cey n GLU 34 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1cey s GLU 35 N -0.89 0.61 0.00 3.49 2.12 -1.26 -2.57 118.70 120.20 1cey s GLU 35 Ca 0.00 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.14 1cey s GLU 35 Cb 0.00 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.66 1cey s GLU 35 CO 0.00 -0.16 0.00 0.00 -0.54 0.00 0.00 175.26 174.56 1cey n ALA 36 N 1.42 0.00 -1.20 6.30 0.00 -1.06 -4.95 120.51 121.02 1cey n ALA 36 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1cey n ALA 36 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -3.62 0.00 0.28 -1.26 -2.53 120.64 113.51 1cey n GLU 37 Ca 0.00 -0.14 -0.04 0.00 -0.16 0.00 0.00 57.16 56.82 1cey n GLU 37 Cb 0.00 -0.40 -0.03 0.00 1.43 0.00 0.00 31.44 32.44 1cey n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1cey s ASP 38 N 0.00 -0.10 0.17 -1.84 -4.77 -1.26 -4.85 116.67 104.02 1cey s ASP 38 Ca 0.00 0.03 -0.20 0.00 -3.30 0.00 0.00 52.55 49.07 1cey s ASP 38 Cb 0.00 0.10 0.09 0.00 -1.09 0.00 0.00 42.92 42.02 1cey s ASP 38 CO 0.00 -0.15 1.62 1.23 0.70 0.00 0.00 175.17 178.57 1cey h GLY 39 N 2.04 -0.03 0.15 2.12 0.00 -1.95 1.14 103.07 106.53 1cey h GLY 39 Ca -0.07 0.32 0.26 0.00 0.00 0.00 0.00 47.33 47.84 1cey h GLY 39 CO 0.22 -0.21 0.66 -2.08 0.00 0.00 0.00 176.54 175.13 1cey h VAL 40 N -0.18 0.55 0.08 4.60 2.07 -1.96 0.55 116.25 121.97 1cey h VAL 40 Ca 0.19 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.56 1cey h VAL 40 Cb 0.48 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1cey h VAL 40 CO -0.52 0.01 -0.55 -0.78 0.02 0.00 0.00 177.57 175.76 1cey h ASP 41 N 0.08 0.34 0.52 0.57 1.82 0.67 -2.81 116.42 117.61 1cey h ASP 41 Ca 0.45 -0.93 -0.03 0.00 -0.39 0.00 0.00 57.03 56.14 1cey h ASP 41 Cb 1.68 -0.11 0.01 0.00 0.68 0.00 0.00 39.33 41.58 1cey h ASP 41 CO -0.05 1.24 -0.25 0.00 -1.61 0.00 0.00 179.24 178.58 1cey h ALA 42 N 0.10 -0.70 -0.44 -0.78 0.00 0.24 0.64 119.26 118.32 1cey h ALA 42 Ca -0.09 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.72 1cey h ALA 42 Cb 1.40 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 19.37 1cey h ALA 42 CO 0.10 -0.78 -0.26 -0.07 0.00 0.00 0.00 179.25 178.24 1cey h LEU 43 N -0.93 -0.88 -0.85 0.00 3.38 -0.19 1.77 115.31 117.62 1cey h LEU 43 Ca -0.07 0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1cey h LEU 43 Cb 0.61 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1cey h LEU 43 CO 0.12 -0.28 -0.41 0.78 0.09 0.00 0.00 178.44 178.74 1cey h ASN 44 N -0.17 0.36 0.92 -0.43 2.35 -1.46 -2.69 115.58 114.46 1cey h ASN 44 Ca 0.20 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1cey h ASN 44 Cb 0.49 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1cey h ASN 44 CO -0.54 0.74 -0.15 1.17 -1.65 0.00 0.00 177.43 177.00 1cey n LYS 45 N -4.02 0.04 0.16 0.81 4.81 0.22 -3.34 118.16 116.84 1cey n LYS 45 Ca -0.02 0.03 0.07 0.00 -0.87 0.00 0.00 58.31 57.52 1cey n LYS 45 Cb 0.49 -1.54 0.07 0.00 0.02 0.00 0.00 35.03 34.08 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1cey h LEU 46 N 0.00 0.00 0.00 3.14 4.07 0.29 -3.05 115.31 119.76 1cey h LEU 46 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1cey h LEU 46 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1cey h LEU 46 CO 0.00 0.27 0.00 1.67 -1.08 0.00 0.00 178.44 179.30 1cey n GLN 47 N -3.11 0.06 -0.01 1.13 7.27 -1.21 -2.88 117.38 118.63 1cey n GLN 47 Ca 0.02 0.27 -0.01 0.00 0.07 0.00 0.00 57.00 57.35 1cey n GLN 47 Cb 0.65 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.79 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cey h ALA 48 N 2.24 -0.29 0.00 1.69 0.00 -1.75 -3.40 119.26 117.75 1cey h ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cey h ALA 48 Cb 0.06 0.77 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1cey h ALA 48 CO 0.00 -0.31 -0.01 0.41 0.00 0.00 0.00 179.25 179.34 1cey n GLY 49 N -1.03 -1.15 0.82 0.00 0.00 -1.23 -5.07 105.19 97.53 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 -0.94 3.77 -0.02 0.00 -1.14 -5.00 105.19 101.86 1cey n GLY 50 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.24 2.90 -2.59 1.61 1.51 -1.26 -4.89 117.35 114.40 1cey s TYR 51 Ca 0.00 1.28 0.23 0.00 -1.01 0.00 0.00 57.07 57.57 1cey s TYR 51 Cb 0.00 -3.81 0.48 0.00 -0.11 0.00 0.00 41.96 38.53 1cey s TYR 51 CO 0.00 -2.33 1.42 0.41 -1.11 0.00 0.00 175.55 173.94 1cey n GLY 52 N 0.92 1.10 3.58 0.71 0.00 -1.08 -4.92 105.19 105.49 1cey n GLY 52 Ca 0.01 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.74 -0.49 -0.14 1.61 2.19 -0.20 -4.20 117.98 115.00 1cey s PHE 53 Ca 0.35 0.97 -0.06 0.00 0.33 0.00 0.00 56.93 58.52 1cey s PHE 53 Cb 0.21 0.41 0.06 0.00 -1.31 0.00 0.00 43.02 42.39 1cey s PHE 53 CO 0.30 -0.38 0.31 0.08 1.83 0.00 0.00 175.22 177.37 1cey s VAL 54 N -0.69 -0.32 -0.65 3.12 1.01 -1.02 -1.95 120.40 119.90 1cey s VAL 54 Ca -0.03 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 1cey s VAL 54 Cb -0.02 -0.50 0.17 0.00 0.00 0.00 0.00 36.38 36.03 1cey s VAL 54 CO 0.02 0.08 0.53 -0.63 0.00 0.00 0.00 175.10 175.10 1cey s ILE 55 N 2.04 4.58 0.27 2.22 1.01 0.49 -1.92 121.20 129.89 1cey s ILE 55 Ca -0.03 -2.39 0.01 0.00 0.00 0.00 0.00 60.65 58.24 1cey s ILE 55 Cb -0.11 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1cey s ILE 55 CO -0.10 -0.90 0.46 -0.94 0.00 0.00 0.00 174.94 173.45 1cey s SER 56 N 1.90 6.33 0.30 3.58 1.04 -1.24 -2.36 113.70 123.26 1cey s SER 56 Ca 0.13 0.36 0.11 0.00 0.48 0.00 0.00 55.95 57.03 1cey s SER 56 Cb -0.19 -1.99 -0.05 0.00 0.10 0.00 0.00 66.02 63.89 1cey s SER 56 CO -0.04 -0.16 -0.15 1.51 0.98 0.00 0.00 173.24 175.38 1cey s ASP 57 N -3.72 3.70 -0.88 7.02 -4.77 -1.20 0.46 116.67 117.28 1cey s ASP 57 Ca 0.38 -1.07 -0.20 0.00 -3.30 0.00 0.00 52.55 48.36 1cey s ASP 57 Cb -0.10 -0.35 -0.23 0.00 -1.09 0.00 0.00 42.92 41.15 1cey s ASP 57 CO 0.32 -0.05 2.37 1.87 0.70 0.00 0.00 175.17 180.38 1cey n TRP 58 N -0.70 0.60 -3.91 2.11 -0.00 -0.69 -4.76 117.44 110.10 1cey n TRP 58 Ca -0.05 0.09 -0.35 0.00 -0.00 0.00 0.00 57.50 57.19 1cey n TRP 58 Cb 0.61 -1.71 -0.13 0.00 -0.00 0.00 0.00 31.31 30.08 1cey n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1cey s ASN 59 N 6.25 4.77 -0.22 5.87 0.02 -1.26 -4.98 114.94 125.39 1cey s ASN 59 Ca 1.19 -0.26 0.22 0.00 -1.02 0.00 0.00 52.86 52.98 1cey s ASN 59 Cb -0.67 -1.83 0.49 0.00 0.02 0.00 0.00 41.25 39.26 1cey s ASN 59 CO 0.39 0.00 1.13 1.15 0.02 0.00 0.00 177.10 179.79 1cey n MET 60 N 4.66 1.60 0.20 -0.60 0.00 -1.26 -3.02 117.12 118.70 1cey n MET 60 Ca -0.17 -3.32 0.18 0.00 0.00 0.00 0.00 57.70 54.39 1cey n MET 60 Cb 0.51 -1.40 0.83 0.00 0.00 0.00 0.00 33.22 33.16 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 2.28 0.00 0.00 3.17 0.13 -1.94 -3.35 132.00 132.29 1cey h PRO 61 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1cey h PRO 61 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1cey h PRO 61 CO 0.21 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.25 1cey n ASN 62 N -3.68 0.00 -1.61 1.44 0.23 -1.26 -5.08 115.26 105.30 1cey n ASN 62 Ca 0.02 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.07 1cey n ASN 62 Cb 0.38 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1cey n ASN 62 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 1cey n MET 63 N 0.00 -0.46 -2.04 -3.83 0.00 -1.26 -5.11 117.12 104.42 1cey n MET 63 Ca 0.00 0.80 -0.01 0.00 -0.00 0.00 0.00 57.70 58.49 1cey n MET 63 Cb 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 33.22 31.81 1cey n MET 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1cey n ASP 64 N 0.17 -0.45 0.00 6.12 8.00 -1.21 -4.93 116.55 124.25 1cey n ASP 64 Ca -0.04 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1cey n ASP 64 Cb 0.06 0.73 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 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 -0.18 1.01 0.29 0.44 0.00 -1.17 -4.07 105.19 101.51 1cey n GLY 65 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.60 -0.62 0.99 -0.00 -1.95 -2.47 115.31 110.67 1cey h LEU 66 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1cey h LEU 66 Cb 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 1cey h LEU 66 CO 0.00 -0.26 0.00 1.21 -0.00 0.00 0.00 178.44 179.39 1cey n GLU 67 N -4.79 0.06 -0.03 1.13 2.13 -1.26 -1.01 120.64 116.88 1cey n GLU 67 Ca -0.09 0.55 -0.15 0.00 0.66 0.00 0.00 57.16 58.13 1cey n GLU 67 Cb 0.28 -1.70 -0.09 0.00 0.27 0.00 0.00 31.44 30.19 1cey n GLU 67 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1cey h LEU 68 N 0.00 0.34 0.01 4.31 6.46 -1.71 -2.50 115.31 122.22 1cey h LEU 68 Ca 0.00 -0.64 -0.25 0.00 -0.12 0.00 0.00 57.88 56.87 1cey h LEU 68 Cb 0.02 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.81 1cey h LEU 68 CO 0.00 0.92 -1.32 0.17 -0.62 0.00 0.00 178.44 177.60 1cey h LEU 69 N -0.21 0.04 -0.86 2.25 8.10 -0.83 -3.15 115.31 120.64 1cey h LEU 69 Ca -0.01 -0.05 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 1cey h LEU 69 Cb 0.90 -0.01 -0.04 0.00 -0.44 0.00 0.00 40.66 41.07 1cey h LEU 69 CO 0.05 1.04 0.47 0.50 -4.11 0.00 0.00 178.44 176.40 1cey h LYS 70 N 0.01 1.21 -0.39 0.17 3.64 -1.14 0.23 116.57 120.29 1cey h LYS 70 Ca -0.14 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 58.98 1cey h LYS 70 Cb 1.89 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 33.46 1cey h LYS 70 CO 0.11 0.89 -0.23 1.15 -2.27 0.00 0.00 179.45 179.11 1cey h THR 71 N 1.21 1.28 0.00 1.00 2.02 -1.53 1.02 112.91 117.91 1cey h THR 71 Ca 0.30 -1.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.05 1cey h THR 71 Cb 0.04 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1cey h THR 71 CO -0.05 0.46 -0.31 0.40 0.37 0.00 0.00 175.52 176.39 1cey h ILE 72 N 0.65 1.16 0.00 3.11 2.04 -1.39 -2.60 117.51 120.49 1cey h ILE 72 Ca 0.08 -1.09 -0.12 0.00 1.00 0.00 0.00 64.86 64.74 1cey h ILE 72 Cb 0.79 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1cey h ILE 72 CO 0.06 0.30 -1.29 -1.14 0.00 0.00 0.00 178.15 176.09 1cey n ARG 73 N -4.08 0.62 -0.29 2.37 0.63 0.76 -3.96 116.66 112.70 1cey n ARG 73 Ca -0.02 0.20 0.34 0.00 -0.92 0.00 0.00 57.85 57.45 1cey n ARG 73 Cb 0.36 -1.82 0.73 0.00 0.45 0.00 0.00 32.46 32.18 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cey h ALA 74 N 1.59 3.05 -2.73 5.13 0.00 0.15 -3.38 119.26 123.07 1cey h ALA 74 Ca -0.12 -0.04 -0.56 0.00 0.00 0.00 0.00 54.91 54.19 1cey h ALA 74 Cb 1.42 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 1cey h ALA 74 CO 0.03 -1.48 0.04 0.34 0.00 0.00 0.00 179.25 178.18 1cey s ASP 75 N -4.88 6.97 0.45 0.00 2.15 -1.25 -4.94 116.67 115.17 1cey s ASP 75 Ca -0.05 1.16 0.25 0.00 0.43 0.00 0.00 52.55 54.34 1cey s ASP 75 Cb 0.21 -2.39 0.97 0.00 -0.30 0.00 0.00 42.92 41.42 1cey s ASP 75 CO 0.75 -0.03 1.85 1.23 -0.17 0.00 0.00 175.17 178.80 1cey h GLY 76 N 6.34 0.00 0.88 2.66 0.00 -1.92 -1.67 103.07 109.35 1cey h GLY 76 Ca -0.42 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.65 1cey h GLY 76 CO 0.73 0.00 -1.69 0.00 0.00 0.00 0.00 176.54 175.59 1cey n ALA 77 N -2.22 1.65 0.95 3.60 0.00 -1.26 -3.86 120.51 119.37 1cey n ALA 77 Ca 0.00 -0.75 0.10 0.00 0.00 0.00 0.00 53.44 52.80 1cey n ALA 77 Cb 0.41 -0.82 0.31 0.00 0.00 0.00 0.00 19.45 19.35 1cey n ALA 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1cey n MET 78 N -2.96 1.93 0.00 0.00 0.00 -1.14 -4.09 117.12 110.86 1cey n MET 78 Ca -0.16 -1.41 0.00 0.00 0.00 0.00 0.00 57.70 56.14 1cey n MET 78 Cb 0.99 -1.41 0.00 0.00 0.00 0.00 0.00 33.22 32.80 1cey n MET 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1cey n SER 79 N 0.63 0.19 -0.12 6.12 2.88 -0.64 -2.62 113.62 120.05 1cey n SER 79 Ca 0.16 -1.17 -0.16 0.00 -1.33 0.00 0.00 58.87 56.38 1cey n SER 79 Cb 0.39 -0.10 -0.13 0.00 -0.75 0.00 0.00 64.21 63.62 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 1.46 -1.33 -1.46 0.00 -1.26 -4.91 120.51 112.73 1cey n ALA 80 Ca 0.00 -1.17 -0.43 0.00 0.00 0.00 0.00 53.44 51.84 1cey n ALA 80 Cb 0.05 -0.12 -0.13 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.12 0.38 -4.55 0.00 -0.00 -1.08 -4.72 117.00 103.91 1cey n LEU 81 Ca -0.42 0.29 -0.30 0.00 -0.00 0.00 0.00 56.01 55.57 1cey n LEU 81 Cb 1.04 -0.85 -0.04 0.00 -0.00 0.00 0.00 43.42 43.57 1cey n LEU 81 CO 0.31 -0.68 1.63 -2.16 -0.00 0.00 0.00 177.39 176.49 1cey s PRO 82 N 7.61 2.20 -0.47 1.96 0.05 -1.26 -4.78 135.00 140.30 1cey s PRO 82 Ca 1.22 0.73 -0.16 0.00 0.05 0.00 0.00 61.00 62.84 1cey s PRO 82 Cb -1.23 -4.65 0.06 0.00 0.05 0.00 0.00 34.50 28.73 1cey s PRO 82 CO 0.50 -3.41 0.43 0.08 0.05 0.00 0.00 177.00 174.65 1cey s VAL 83 N 11.62 5.17 -0.52 -0.36 1.01 -1.26 -2.44 120.40 133.62 1cey s VAL 83 Ca 0.84 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 1cey s VAL 83 Cb -0.13 -4.14 0.08 0.00 0.00 0.00 0.00 36.38 32.19 1cey s VAL 83 CO 0.16 -0.59 0.59 -0.22 0.00 0.00 0.00 175.10 175.04 1cey s LEU 84 N 1.84 5.30 0.93 3.92 2.96 -0.81 -1.15 118.68 131.67 1cey s LEU 84 Ca 0.06 -1.19 -0.11 0.00 -0.22 0.00 0.00 54.13 52.68 1cey s LEU 84 Cb -0.23 -2.34 0.15 0.00 0.50 0.00 0.00 46.19 44.28 1cey s LEU 84 CO 0.08 -0.89 1.12 -0.32 -1.32 0.00 0.00 176.35 175.02 1cey s MET 85 N 2.35 0.94 -0.01 1.98 -2.45 -1.03 -3.63 119.30 117.45 1cey s MET 85 Ca 0.11 1.34 0.02 0.00 -1.25 0.00 0.00 55.69 55.91 1cey s MET 85 Cb -0.22 -1.73 0.00 0.00 1.25 0.00 0.00 34.83 34.13 1cey s MET 85 CO 0.09 -2.62 -0.05 0.08 1.05 0.00 0.00 175.02 173.57 1cey s VAL 86 N -2.68 0.43 0.06 10.11 1.01 0.17 -2.37 120.40 127.13 1cey s VAL 86 Ca 0.66 -0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 1cey s VAL 86 Cb -0.22 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.79 1cey s VAL 86 CO 0.59 0.14 0.30 0.28 0.00 0.00 0.00 175.10 176.41 1cey s THR 87 N 0.11 0.09 -0.18 3.92 -1.32 -1.04 -1.70 115.64 115.52 1cey s THR 87 Ca -0.01 -0.73 0.14 0.00 -1.21 0.00 0.00 61.69 59.88 1cey s THR 87 Cb -0.05 -1.02 -0.21 0.00 -1.51 0.00 0.00 72.50 69.71 1cey s THR 87 CO -0.00 -0.40 0.03 0.00 -2.21 0.00 0.00 174.62 172.03 1cey n ALA 88 N 0.39 1.55 -0.04 11.08 0.00 -1.26 -0.09 120.51 132.13 1cey n ALA 88 Ca -0.18 -1.16 -0.00 0.00 0.00 0.00 0.00 53.44 52.10 1cey n ALA 88 Cb 0.60 -0.12 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 1cey n ALA 88 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1cey h GLU 89 N 0.00 0.00 -5.10 0.00 4.57 -1.97 -3.45 114.58 108.63 1cey h GLU 89 Ca -0.49 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.41 1cey h GLU 89 Cb 2.07 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 30.59 1cey h GLU 89 CO 0.01 0.00 -0.41 0.00 -1.18 0.00 0.00 179.01 177.44 1cey n ALA 90 N -2.70 -0.99 -0.05 2.92 0.00 -1.26 -4.82 120.51 113.61 1cey n ALA 90 Ca -0.00 0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 1cey n ALA 90 Cb 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 1cey n ALA 90 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1cey h LYS 91 N -0.51 -0.09 0.00 0.00 3.64 -1.94 -3.44 116.57 114.24 1cey h LYS 91 Ca -0.32 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1cey h LYS 91 Cb 1.22 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1cey h LYS 91 CO 0.40 -0.06 0.00 1.17 -2.27 0.00 0.00 179.45 178.69 1cey n LYS 92 N -3.47 0.00 0.11 1.90 4.81 -1.26 -4.90 118.16 115.35 1cey n LYS 92 Ca -0.01 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.49 1cey n LYS 92 Cb 0.09 0.00 0.33 0.00 0.02 0.00 0.00 35.03 35.47 1cey n LYS 92 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1cey n GLU 93 N -0.77 0.08 0.16 1.64 -0.00 -1.26 0.08 120.64 120.57 1cey n GLU 93 Ca 0.00 0.54 0.08 0.00 -0.00 0.00 0.00 57.16 57.78 1cey n GLU 93 Cb 0.00 -1.89 0.07 0.00 -0.00 0.00 0.00 31.44 29.62 1cey n GLU 93 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1cey h ASN 94 N 0.00 0.00 0.01 -1.84 2.35 -1.90 -2.97 115.58 111.22 1cey h ASN 94 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1cey h ASN 94 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1cey h ASN 94 CO 0.00 0.19 -0.06 0.40 -1.65 0.00 0.00 177.43 176.31 1cey h ILE 95 N 0.00 1.74 0.00 2.81 2.04 -0.64 -3.18 117.51 120.28 1cey h ILE 95 Ca -0.02 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.61 1cey h ILE 95 Cb 1.16 3.25 0.00 0.00 -0.74 0.00 0.00 36.82 40.49 1cey h ILE 95 CO 0.02 0.58 0.00 0.40 0.00 0.00 0.00 178.15 179.16 1cey h ILE 96 N -0.90 0.00 0.96 -0.67 5.03 -1.66 -2.95 117.51 117.32 1cey h ILE 96 Ca -0.01 -0.17 -0.05 0.00 -0.12 0.00 0.00 64.86 64.52 1cey h ILE 96 Cb 0.99 1.12 0.01 0.00 -3.03 0.00 0.00 36.82 35.91 1cey h ILE 96 CO 0.01 0.00 -0.46 0.00 -0.68 0.00 0.00 178.15 177.02 1cey h ALA 97 N 2.01 -1.29 -0.13 1.87 0.00 -1.50 2.25 119.26 122.48 1cey h ALA 97 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1cey h ALA 97 Cb 0.17 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1cey h ALA 97 CO 0.00 -1.21 -0.24 0.00 0.00 0.00 0.00 179.25 177.80 1cey h ALA 98 N -1.26 -0.21 0.00 0.00 0.00 -1.61 0.22 119.26 116.40 1cey h ALA 98 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1cey h ALA 98 Cb 0.99 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1cey h ALA 98 CO 0.22 -0.70 0.00 0.00 0.00 0.00 0.00 179.25 178.77 1cey h ALA 99 N 0.66 1.00 -0.94 0.00 0.00 -1.48 -1.80 119.26 116.69 1cey h ALA 99 Ca 0.10 0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.28 1cey h ALA 99 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1cey h ALA 99 CO -0.31 0.00 0.67 0.37 0.00 0.00 0.00 179.25 179.98 1cey h GLN 100 N 0.00 0.06 0.00 0.00 5.75 0.72 2.47 115.11 124.11 1cey h GLN 100 Ca 0.00 -0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.29 1cey h GLN 100 Cb 0.34 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.84 1cey h GLN 100 CO 0.00 0.04 -1.66 0.00 -2.65 0.00 0.00 178.83 174.55 1cey n ALA 101 N -2.69 1.87 -1.84 3.38 0.00 -0.72 -5.03 120.51 115.48 1cey n ALA 101 Ca 0.20 -0.70 -0.00 0.00 0.00 0.00 0.00 53.44 52.93 1cey n ALA 101 Cb 0.97 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 1.47 -0.59 0.00 0.00 0.00 0.83 -4.94 105.19 101.95 1cey n GLY 102 Ca -0.14 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.99 0.00 -0.11 4.61 0.00 -1.26 -4.95 120.51 117.81 1cey n ALA 103 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1cey n ALA 103 Cb 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 1cey n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cey n SER 104 N 0.00 1.89 0.00 0.00 3.41 -0.30 -4.81 113.62 113.81 1cey n SER 104 Ca 0.00 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1cey n SER 104 Cb 0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cey n GLY 105 N 1.43 -0.53 2.75 5.00 0.00 -1.25 -4.98 105.19 107.61 1cey n GLY 105 Ca -0.37 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 1cey n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cey s TYR 106 N -3.00 0.24 -0.13 1.61 5.04 -1.26 -2.45 117.35 117.39 1cey s TYR 106 Ca 0.00 0.09 -0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1cey s TYR 106 Cb 0.00 -0.48 -0.02 0.00 0.35 0.00 0.00 41.96 41.81 1cey s TYR 106 CO 0.00 -0.18 -0.12 0.54 -1.34 0.00 0.00 175.55 174.45 1cey s VAL 107 N 1.63 3.17 -0.16 3.14 0.11 -1.00 -5.00 120.40 122.29 1cey s VAL 107 Ca -0.01 -0.62 -0.25 0.00 -2.93 0.00 0.00 61.98 58.16 1cey s VAL 107 Cb -0.13 -2.33 -0.02 0.00 -1.53 0.00 0.00 36.38 32.37 1cey s VAL 107 CO -0.03 0.52 0.84 0.54 -3.33 0.00 0.00 175.10 173.64 1cey s VAL 108 N 0.29 4.88 0.32 2.04 0.11 -1.26 -2.51 120.40 124.27 1cey s VAL 108 Ca -0.09 1.65 0.03 0.00 -2.93 0.00 0.00 61.98 60.64 1cey s VAL 108 Cb -0.15 -4.14 -0.02 0.00 -1.53 0.00 0.00 36.38 30.53 1cey s VAL 108 CO 0.05 0.04 0.48 -1.59 -3.33 0.00 0.00 175.10 170.75 1cey s LYS 109 N 2.05 3.35 0.04 1.54 -2.85 0.87 -3.80 119.74 120.93 1cey s LYS 109 Ca 0.39 -0.64 -0.30 0.00 -1.00 0.00 0.00 55.97 54.41 1cey s LYS 109 Cb -0.17 -2.76 -0.05 0.00 -2.06 0.00 0.00 37.83 32.79 1cey s LYS 109 CO 0.13 0.18 1.20 -1.25 0.10 0.00 0.00 175.35 175.71 1cey s PRO 110 N -4.20 4.42 0.37 1.78 0.05 -1.26 -4.35 135.00 131.80 1cey s PRO 110 Ca 0.40 1.75 0.03 0.00 0.05 0.00 0.00 61.00 63.23 1cey s PRO 110 Cb -0.09 -3.39 -0.01 0.00 0.05 0.00 0.00 34.50 31.05 1cey s PRO 110 CO 0.33 -0.29 0.54 -0.59 0.05 0.00 0.00 177.00 177.03 1cey s PHE 111 N 1.30 3.23 0.02 0.56 -0.12 -1.25 -5.09 117.98 116.63 1cey s PHE 111 Ca 0.58 0.03 -0.02 0.00 -0.05 0.00 0.00 56.93 57.47 1cey s PHE 111 Cb -0.28 -2.05 -0.04 0.00 -0.63 0.00 0.00 43.02 40.02 1cey s PHE 111 CO 0.28 -0.07 0.21 0.99 -0.05 0.00 0.00 175.22 176.58 1cey s THR 112 N -2.31 5.40 0.66 -4.49 2.01 -1.26 -4.82 115.64 110.83 1cey s THR 112 Ca 0.44 -0.18 0.21 0.00 0.31 0.00 0.00 61.69 62.47 1cey s THR 112 Cb -0.10 -3.57 0.22 0.00 0.01 0.00 0.00 72.50 69.06 1cey s THR 112 CO 0.34 0.27 1.61 0.00 -0.69 0.00 0.00 174.62 176.15 1cey h ALA 113 N 3.59 1.68 0.08 7.40 0.00 -1.98 1.95 119.26 131.98 1cey h ALA 113 Ca -0.48 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.16 1cey h ALA 113 Cb 1.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1cey h ALA 113 CO 0.71 -0.63 -1.34 0.00 0.00 0.00 0.00 179.25 177.99 1cey h ALA 114 N 0.91 0.28 0.18 0.00 0.00 -1.98 -2.17 119.26 116.48 1cey h ALA 114 Ca 0.04 -1.03 -0.01 0.00 0.00 0.00 0.00 54.91 53.92 1cey h ALA 114 Cb 1.21 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1cey h ALA 114 CO -0.00 1.15 -0.09 1.15 0.00 0.00 0.00 179.25 181.46 1cey h THR 115 N 0.05 0.26 -0.98 0.00 2.02 0.26 -1.50 112.91 113.03 1cey h THR 115 Ca -0.16 -0.96 0.17 0.00 0.77 0.00 0.00 66.41 66.24 1cey h THR 115 Cb 1.95 0.46 -0.09 0.00 -1.74 0.00 0.00 68.15 68.73 1cey h THR 115 CO 0.16 0.08 0.61 0.25 0.37 0.00 0.00 175.52 176.99 1cey h LEU 116 N -1.03 0.74 0.50 2.58 6.46 -1.14 -1.36 115.31 122.05 1cey h LEU 116 Ca -0.03 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 1cey h LEU 116 Cb 0.31 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1cey h LEU 116 CO 0.04 0.31 -0.38 -0.08 -0.62 0.00 0.00 178.44 177.72 1cey h GLU 117 N 0.75 -0.83 -1.04 1.25 4.81 -1.38 -0.55 114.58 117.60 1cey h GLU 117 Ca 0.53 0.06 0.32 0.00 -0.13 0.00 0.00 59.36 60.13 1cey h GLU 117 Cb 0.84 0.19 -0.14 0.00 0.63 0.00 0.00 28.75 30.27 1cey h GLU 117 CO -0.30 -0.55 0.61 1.49 -0.73 0.00 0.00 179.01 179.53 1cey h GLU 118 N -0.86 0.34 0.00 1.92 4.81 -0.16 1.51 114.58 122.14 1cey h GLU 118 Ca -0.05 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 1cey h GLU 118 Cb 0.73 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1cey h GLU 118 CO 0.01 0.22 -0.57 0.87 -0.73 0.00 0.00 179.01 178.81 1cey h LYS 119 N 0.35 0.00 -0.07 1.92 6.56 -0.90 -2.90 116.57 121.53 1cey h LYS 119 Ca 0.71 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 60.20 1cey h LYS 119 Cb 1.68 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.34 1cey h LYS 119 CO -0.53 0.57 -0.36 1.25 -2.06 0.00 0.00 179.45 178.32 1cey h LEU 120 N 0.00 0.44 -0.58 2.94 5.85 0.36 -2.73 115.31 121.59 1cey h LEU 120 Ca -0.01 -0.65 0.04 0.00 0.84 0.00 0.00 57.88 58.10 1cey h LEU 120 Cb 1.06 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1cey h LEU 120 CO 0.07 1.02 0.33 0.78 -0.34 0.00 0.00 178.44 180.31 1cey h ASN 121 N -0.11 0.50 -0.35 1.25 4.21 -0.92 0.49 115.58 120.65 1cey h ASN 121 Ca -0.02 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.50 1cey h ASN 121 Cb 1.02 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 38.12 1cey h ASN 121 CO 0.08 0.34 0.21 0.11 -1.29 0.00 0.00 177.43 176.87 1cey h LYS 122 N 0.63 0.48 -0.18 0.81 1.57 -1.55 1.13 116.57 119.45 1cey h LYS 122 Ca 0.25 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 1cey h LYS 122 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1cey h LYS 122 CO -0.14 0.37 -0.41 0.82 -0.57 0.00 0.00 179.45 179.52 1cey h ILE 123 N 0.45 1.31 -0.00 1.86 2.04 -1.10 -2.71 117.51 119.35 1cey h ILE 123 Ca 0.12 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.43 1cey h ILE 123 Cb 0.02 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1cey h ILE 123 CO -0.02 0.48 -0.30 0.49 0.00 0.00 0.00 178.15 178.80 1cey n PHE 124 N -4.03 0.00 0.16 1.37 3.01 0.17 -2.83 117.46 115.32 1cey n PHE 124 Ca -0.02 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.46 1cey n PHE 124 Cb 0.50 -0.21 0.27 0.00 -0.01 0.00 0.00 39.48 40.02 1cey n PHE 124 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1cey h GLU 125 N 0.55 0.00 0.00 -1.08 5.08 0.17 0.88 114.58 120.18 1cey h GLU 125 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1cey h GLU 125 Cb 0.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1cey h GLU 125 CO 0.00 0.49 -1.70 1.63 -1.00 0.00 0.00 179.01 178.42 1cey n LYS 126 N -3.75 0.64 0.13 2.33 5.02 -1.23 -3.98 118.16 117.33 1cey n LYS 126 Ca -0.01 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.44 1cey n LYS 126 Cb 0.54 -1.69 0.04 0.00 -0.02 0.00 0.00 35.03 33.90 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 -3.24 -0.35 6.46 -1.34 -3.49 115.31 113.36 1cey h LEU 127 Ca -0.20 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.27 1cey h LEU 127 Cb 1.57 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.51 1cey h LEU 127 CO 0.03 0.24 -1.02 0.61 -0.62 0.00 0.00 178.44 177.68 1cey n GLY 128 N 1.21 -0.25 0.59 3.75 0.00 0.30 -5.04 105.19 105.75 1cey n GLY 128 Ca -0.00 1.17 0.14 0.00 0.00 0.00 0.00 46.02 47.33 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35