#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 -0.72 -0.77 0.00 -0.08 -1.26 -4.82 116.55 108.91 1cey n ASP 3 Ca 0.00 0.95 0.06 0.00 -1.51 0.00 0.00 54.79 54.29 1cey n ASP 3 Cb 0.00 -1.11 0.17 0.00 2.34 0.00 0.00 41.12 42.52 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 0.66 2.03 -2.69 -0.67 4.76 -1.26 -4.11 118.16 116.88 1cey n LYS 4 Ca 0.12 -1.39 -0.07 0.00 -2.87 0.00 0.00 58.31 54.09 1cey n LYS 4 Cb 0.38 -1.38 0.06 0.00 -1.84 0.00 0.00 35.03 32.25 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 0.57 1.25 -2.35 1.97 1.02 -1.26 -3.74 120.64 118.09 1cey n GLU 5 Ca 0.13 -2.80 -0.42 0.00 -0.02 0.00 0.00 57.16 54.05 1cey n GLU 5 Cb 0.38 -0.89 -0.03 0.00 -0.02 0.00 0.00 31.44 30.88 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1cey s LEU 6 N -3.29 4.31 -0.14 -4.62 2.96 -1.26 -4.92 118.68 111.73 1cey s LEU 6 Ca 0.25 1.98 -0.29 0.00 -0.22 0.00 0.00 54.13 55.84 1cey s LEU 6 Cb 0.43 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 1cey s LEU 6 CO -0.01 -0.62 1.55 -0.54 -1.32 0.00 0.00 176.35 175.41 1cey s LYS 7 N 2.08 4.06 0.08 1.98 1.02 -1.26 -4.71 119.74 122.98 1cey s LYS 7 Ca 0.60 1.88 0.03 0.00 0.02 0.00 0.00 55.97 58.50 1cey s LYS 7 Cb -0.28 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.03 1cey s LYS 7 CO 0.25 -0.97 0.07 -0.06 -0.92 0.00 0.00 175.35 173.72 1cey s PHE 8 N 4.33 3.17 -0.28 3.18 0.40 -1.05 -1.35 117.98 126.39 1cey s PHE 8 Ca 0.69 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 57.10 1cey s PHE 8 Cb -0.28 -1.61 0.08 0.00 0.51 0.00 0.00 43.02 41.72 1cey s PHE 8 CO 0.26 0.52 0.01 -1.17 0.70 0.00 0.00 175.22 175.54 1cey s LEU 9 N -2.37 3.09 -0.56 -0.37 2.96 -0.48 -1.89 118.68 119.07 1cey s LEU 9 Ca 0.29 -1.55 -0.22 0.00 -0.22 0.00 0.00 54.13 52.43 1cey s LEU 9 Cb -0.12 -1.23 0.06 0.00 0.50 0.00 0.00 46.19 45.40 1cey s LEU 9 CO 0.22 -0.32 0.82 -0.69 -1.32 0.00 0.00 176.35 175.06 1cey s VAL 10 N 1.31 4.57 -0.35 1.68 1.01 -1.03 -0.96 120.40 126.63 1cey s VAL 10 Ca 0.02 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 1cey s VAL 10 Cb -0.19 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.72 1cey s VAL 10 CO -0.11 -1.08 0.67 -0.69 0.00 0.00 0.00 175.10 173.89 1cey s VAL 11 N 3.44 4.86 0.00 2.92 1.01 -1.00 -2.40 120.40 129.23 1cey s VAL 11 Ca 0.22 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1cey s VAL 11 Cb -0.16 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1cey s VAL 11 CO 0.14 -0.32 0.00 0.47 0.00 0.00 0.00 175.10 175.39 1cey n ASP 12 N 6.11 0.00 0.00 3.32 8.00 -0.76 -3.53 116.55 129.69 1cey n ASP 12 Ca -0.00 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.81 1cey n ASP 12 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1cey n ASP 12 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1cey n ASP 13 N -0.19 0.00 -0.28 -2.24 5.68 -1.26 -4.22 116.55 114.03 1cey n ASP 13 Ca 0.00 -1.00 0.20 0.00 -0.50 0.00 0.00 54.79 53.49 1cey n ASP 13 Cb 0.00 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 40.48 1cey n ASP 13 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1cey h PHE 14 N 0.00 0.61 -1.41 2.11 -5.15 -1.97 -3.45 116.94 107.68 1cey h PHE 14 Ca 0.00 0.02 -0.16 0.00 -0.20 0.00 0.00 57.97 57.63 1cey h PHE 14 Cb 0.98 -0.18 0.00 0.00 0.22 0.00 0.00 35.95 36.97 1cey h PHE 14 CO 0.00 0.13 -0.21 0.45 -2.00 0.00 0.00 178.31 176.68 1cey n SER 15 N -4.55 -2.99 0.00 -0.68 2.88 -1.26 -4.63 113.62 102.38 1cey n SER 15 Ca 0.21 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1cey n SER 15 Cb 0.75 -2.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.03 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1cey n THR 16 N -3.91 0.00 0.04 2.46 5.66 -1.26 -4.94 114.28 112.33 1cey n THR 16 Ca -0.08 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.81 1cey n THR 16 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 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 0.45 -0.71 1.09 -1.53 -1.96 -3.16 114.93 109.11 1cey h MET 17 Ca 0.00 -0.39 0.14 0.00 -3.44 0.00 0.00 59.70 56.01 1cey h MET 17 Cb 0.00 0.09 -0.13 0.00 -0.55 0.00 0.00 31.60 31.00 1cey h MET 17 CO 0.00 1.03 -0.19 0.07 0.14 0.00 0.00 176.91 177.96 1cey h ARG 18 N 0.30 -0.01 0.00 0.39 0.11 -1.95 0.57 114.38 113.79 1cey h ARG 18 Ca -0.04 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.00 1cey h ARG 18 Cb 1.36 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.44 1cey h ARG 18 CO 0.14 -0.01 -0.21 0.07 0.10 0.00 0.00 179.97 180.06 1cey h ARG 19 N -0.01 0.00 0.23 0.08 0.11 -1.94 -1.82 114.38 111.03 1cey h ARG 19 Ca 0.34 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.41 1cey h ARG 19 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1cey h ARG 19 CO -0.73 0.21 -0.11 0.82 0.10 0.00 0.00 179.97 180.25 1cey h ILE 20 N 0.00 0.78 -0.98 0.08 2.04 0.08 -2.90 117.51 116.61 1cey h ILE 20 Ca -0.00 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.06 1cey h ILE 20 Cb 0.47 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1cey h ILE 20 CO 0.03 0.16 0.64 -0.37 0.00 0.00 0.00 178.15 178.61 1cey h VAL 21 N -0.78 1.19 -0.41 1.67 -1.51 -1.16 -1.10 116.25 114.16 1cey h VAL 21 Ca -0.03 -0.43 0.09 0.00 -1.23 0.00 0.00 66.70 65.09 1cey h VAL 21 Cb 0.51 -0.18 -0.09 0.00 -2.13 0.00 0.00 31.29 29.39 1cey h VAL 21 CO 0.05 0.23 -0.22 0.03 -1.23 0.00 0.00 177.57 176.43 1cey h ARG 22 N 1.26 -0.14 0.83 5.19 3.08 -1.31 0.13 114.38 123.43 1cey h ARG 22 Ca 0.38 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.40 1cey h ARG 22 Cb -0.04 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1cey h ARG 22 CO -0.11 -0.09 -0.45 -0.97 -1.07 0.00 0.00 179.97 177.27 1cey h ASN 23 N -0.15 -1.10 -1.73 7.04 -0.00 -1.16 0.10 115.58 118.58 1cey h ASN 23 Ca 0.20 0.05 0.50 0.00 -0.00 0.00 0.00 56.30 57.05 1cey h ASN 23 Cb 0.45 0.30 -0.07 0.00 -0.00 0.00 0.00 38.32 39.00 1cey h ASN 23 CO -0.50 -0.73 1.25 0.25 -0.00 0.00 0.00 177.43 177.70 1cey h LEU 24 N -1.18 0.00 0.06 0.34 6.46 -0.35 2.56 115.31 123.21 1cey h LEU 24 Ca -0.11 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.37 1cey h LEU 24 Cb 0.93 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.84 1cey h LEU 24 CO 0.15 0.00 -1.44 -0.07 -0.62 0.00 0.00 178.44 176.46 1cey h LEU 25 N 0.00 0.21 -0.67 2.25 3.38 0.44 -3.30 115.31 117.62 1cey h LEU 25 Ca 0.82 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 58.36 1cey h LEU 25 Cb 3.30 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 43.98 1cey h LEU 25 CO -0.01 1.24 -0.45 0.50 0.09 0.00 0.00 178.44 179.82 1cey h LYS 26 N 0.04 0.51 -0.86 1.13 3.64 0.67 -2.29 116.57 119.40 1cey h LYS 26 Ca -0.20 -0.27 0.17 0.00 -1.27 0.00 0.00 60.65 59.08 1cey h LYS 26 Cb 1.95 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.72 1cey h LYS 26 CO 0.13 0.85 0.56 1.49 -2.27 0.00 0.00 179.45 180.22 1cey h GLU 27 N 0.41 0.50 0.00 1.90 4.57 -0.35 -2.59 114.58 119.02 1cey h GLU 27 Ca 0.03 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1cey h GLU 27 Cb 0.95 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1cey h GLU 27 CO 0.08 0.33 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.13 1cey h LEU 28 N 0.51 0.00 0.00 1.64 4.07 -1.60 -3.48 115.31 116.44 1cey h LEU 28 Ca 0.44 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1cey h LEU 28 Cb 0.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.67 1cey h LEU 28 CO -0.18 0.74 0.00 0.61 -1.08 0.00 0.00 178.44 178.54 1cey n GLY 29 N 1.70 -1.38 3.25 0.83 0.00 -0.89 -5.12 105.19 103.58 1cey n GLY 29 Ca -0.05 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.36 -0.43 1.61 0.08 -1.04 -4.26 117.98 113.57 1cey s PHE 30 Ca 0.00 0.85 0.08 0.00 0.12 0.00 0.00 56.93 57.98 1cey s PHE 30 Cb 0.00 0.13 0.27 0.00 -0.57 0.00 0.00 43.02 42.86 1cey s PHE 30 CO 0.00 -0.23 0.78 -1.71 -0.10 0.00 0.00 175.22 173.96 1cey n ASN 31 N 2.58 -1.20 -3.15 1.36 4.05 -1.25 -3.63 115.26 114.03 1cey n ASN 31 Ca -0.15 -3.12 0.06 0.00 0.45 0.00 0.00 54.58 51.82 1cey n ASN 31 Cb 0.57 0.64 -0.00 0.00 1.23 0.00 0.00 39.78 42.22 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 -1.57 -0.35 0.35 1.20 2.47 -1.26 -5.03 114.94 110.75 1cey s ASN 32 Ca 0.33 0.08 -0.02 0.00 0.42 0.00 0.00 52.86 53.67 1cey s ASN 32 Cb 0.24 1.24 0.00 0.00 -1.45 0.00 0.00 41.25 41.28 1cey s ASN 32 CO -0.14 -0.06 0.46 0.68 -3.72 0.00 0.00 177.10 174.32 1cey s VAL 33 N 2.96 0.00 0.00 -5.21 -7.23 -1.26 -2.52 120.40 107.15 1cey s VAL 33 Ca 0.21 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1cey s VAL 33 Cb -0.03 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1cey s VAL 33 CO -0.20 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 173.97 1cey n GLU 34 N -0.58 0.00 -3.81 4.82 1.02 -0.79 -4.95 120.64 116.36 1cey n GLU 34 Ca 0.01 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 1cey n GLU 34 Cb 0.62 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.94 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 -1.13 0.58 0.00 3.49 2.12 -1.26 -2.46 118.70 120.03 1cey s GLU 35 Ca 0.00 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1cey s GLU 35 Cb 0.00 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.64 1cey s GLU 35 CO 0.00 -0.15 0.00 0.00 -0.54 0.00 0.00 175.26 174.57 1cey n ALA 36 N 1.42 0.00 -1.24 6.30 0.00 -1.01 -4.95 120.51 121.03 1cey n ALA 36 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 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 -1.82 120.64 114.21 1cey n GLU 37 Ca 0.00 -0.28 -0.04 0.00 -0.16 0.00 0.00 57.16 56.68 1cey n GLU 37 Cb 0.00 -0.38 -0.04 0.00 1.43 0.00 0.00 31.44 32.45 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 0.00 -0.11 0.55 -1.84 2.15 -1.26 -4.76 116.67 111.39 1cey s ASP 38 Ca 0.00 0.11 0.29 0.00 0.43 0.00 0.00 52.55 53.38 1cey s ASP 38 Cb 0.00 0.10 1.46 0.00 -0.30 0.00 0.00 42.92 44.17 1cey s ASP 38 CO 0.00 -0.12 1.93 1.23 -0.17 0.00 0.00 175.17 178.04 1cey h GLY 39 N 2.15 0.00 1.28 2.66 0.00 -1.89 0.43 103.07 107.71 1cey h GLY 39 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.03 1cey h GLY 39 CO 0.24 0.00 -0.67 -2.08 0.00 0.00 0.00 176.54 174.03 1cey h VAL 40 N 0.00 1.30 -0.19 4.60 2.07 -1.97 0.35 116.25 122.41 1cey h VAL 40 Ca 0.32 -1.89 -0.11 0.00 0.82 0.00 0.00 66.70 65.83 1cey h VAL 40 Cb 1.36 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1cey h VAL 40 CO -0.00 0.60 -0.32 -0.78 0.02 0.00 0.00 177.57 177.09 1cey h ASP 41 N 0.53 0.62 0.72 0.57 1.82 -0.66 -2.22 116.42 117.79 1cey h ASP 41 Ca -0.02 -0.53 -0.04 0.00 -0.39 0.00 0.00 57.03 56.06 1cey h ASP 41 Cb 1.27 -0.18 0.01 0.00 0.68 0.00 0.00 39.33 41.11 1cey h ASP 41 CO 0.14 1.03 -0.35 0.00 -1.61 0.00 0.00 179.24 178.44 1cey h ALA 42 N 0.61 -0.99 -1.30 -0.78 0.00 -0.65 0.38 119.26 116.53 1cey h ALA 42 Ca 0.02 -0.21 0.38 0.00 0.00 0.00 0.00 54.91 55.09 1cey h ALA 42 Cb 0.90 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1cey h ALA 42 CO 0.07 -0.92 0.88 1.25 0.00 0.00 0.00 179.25 180.54 1cey h LEU 43 N -1.24 0.20 0.21 0.00 5.85 -0.38 2.20 115.31 122.15 1cey h LEU 43 Ca -0.10 0.07 -0.33 0.00 0.84 0.00 0.00 57.88 58.35 1cey h LEU 43 Cb 0.75 0.04 0.02 0.00 0.37 0.00 0.00 40.66 41.84 1cey h LEU 43 CO 0.16 -0.03 -1.56 0.78 -0.34 0.00 0.00 178.44 177.45 1cey h ASN 44 N 0.13 0.68 0.08 1.25 2.35 -1.10 -3.26 115.58 115.72 1cey h ASN 44 Ca 0.70 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1cey h ASN 44 Cb 2.36 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 40.51 1cey h ASN 44 CO -0.22 1.68 -0.04 0.29 -1.65 0.00 0.00 177.43 177.49 1cey n LYS 45 N -3.63 1.23 0.02 0.81 4.76 0.16 -3.60 118.16 117.92 1cey n LYS 45 Ca -0.19 -0.53 0.08 0.00 -2.87 0.00 0.00 58.31 54.81 1cey n LYS 45 Cb 1.08 -1.49 0.34 0.00 -1.84 0.00 0.00 35.03 33.13 1cey n LYS 45 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1cey n LEU 46 N -0.42 0.11 -0.21 -0.35 -0.00 0.70 -1.75 117.00 115.07 1cey n LEU 46 Ca 0.19 0.53 0.09 0.00 -0.00 0.00 0.00 56.01 56.82 1cey n LEU 46 Cb 0.27 -0.51 -0.06 0.00 -0.00 0.00 0.00 43.42 43.12 1cey n LEU 46 CO 0.19 -0.29 0.11 0.00 -0.00 0.00 0.00 177.39 177.40 1cey n GLN 47 N -1.62 1.10 -0.19 1.96 10.64 -1.24 -3.48 117.38 124.55 1cey n GLN 47 Ca 0.03 -0.44 -0.07 0.00 -1.83 0.00 0.00 57.00 54.70 1cey n GLN 47 Cb 0.18 -1.39 -0.01 0.00 -0.86 0.00 0.00 30.24 28.16 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1cey h ALA 48 N 3.03 -0.16 0.00 2.61 0.00 -1.56 -3.34 119.26 119.84 1cey h ALA 48 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1cey h ALA 48 Cb 0.55 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1cey h ALA 48 CO 0.00 -0.74 0.00 0.41 0.00 0.00 0.00 179.25 178.92 1cey n GLY 49 N -1.42 -1.15 1.99 0.00 0.00 -1.26 -5.08 105.19 98.26 1cey n GLY 49 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.33 3.81 -0.02 0.00 -1.23 -4.99 105.19 99.44 1cey n GLY 50 Ca 0.00 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.69 3.12 -1.69 1.61 1.51 -1.26 -4.92 117.35 115.04 1cey s TYR 51 Ca 0.00 1.52 0.16 0.00 -1.01 0.00 0.00 57.07 57.75 1cey s TYR 51 Cb -0.00 -2.96 0.33 0.00 -0.11 0.00 0.00 41.96 39.22 1cey s TYR 51 CO 0.31 -0.82 1.24 0.41 -1.11 0.00 0.00 175.55 175.59 1cey n GLY 52 N -0.94 1.68 3.62 0.71 0.00 -0.82 -4.94 105.19 104.50 1cey n GLY 52 Ca 0.08 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.16 -0.55 -0.19 1.61 5.36 -0.45 -3.99 117.98 118.61 1cey s PHE 53 Ca 0.29 1.29 -0.04 0.00 -0.96 0.00 0.00 56.93 57.50 1cey s PHE 53 Cb 0.17 0.35 0.06 0.00 -0.34 0.00 0.00 43.02 43.26 1cey s PHE 53 CO 0.23 -0.30 0.07 0.08 -1.46 0.00 0.00 175.22 173.84 1cey s VAL 54 N 0.04 0.15 -0.89 3.12 1.01 -1.05 -1.38 120.40 121.40 1cey s VAL 54 Ca 0.01 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 1cey s VAL 54 Cb -0.04 -0.77 0.14 0.00 0.00 0.00 0.00 36.38 35.71 1cey s VAL 54 CO -0.03 -0.28 1.04 -0.63 0.00 0.00 0.00 175.10 175.20 1cey s ILE 55 N 2.03 4.88 0.35 2.22 1.01 -0.13 -2.12 121.20 129.44 1cey s ILE 55 Ca 0.01 -1.68 0.05 0.00 0.00 0.00 0.00 60.65 59.04 1cey s ILE 55 Cb -0.16 -4.71 -0.01 0.00 0.01 0.00 0.00 42.46 37.59 1cey s ILE 55 CO -0.10 -1.40 0.50 -0.55 0.00 0.00 0.00 174.94 173.39 1cey s SER 56 N 3.36 5.97 0.00 3.58 0.15 -1.19 -2.37 113.70 123.20 1cey s SER 56 Ca 0.29 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1cey s SER 56 Cb -0.07 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 1cey s SER 56 CO -0.08 -0.46 0.00 -0.67 1.20 0.00 0.00 173.24 173.23 1cey n ASP 57 N -1.71 0.00 0.00 5.45 -0.08 -1.23 -1.78 116.55 117.20 1cey n ASP 57 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cey n ASP 57 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1cey n TRP 58 N 0.00 0.00 -2.13 -0.67 -0.00 -1.26 -4.00 117.44 109.38 1cey n TRP 58 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.50 57.12 1cey n TRP 58 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.34 1cey n TRP 58 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1cey n ASN 59 N 0.00 7.05 -0.10 5.87 2.85 -1.26 -2.87 115.26 126.80 1cey n ASN 59 Ca 0.00 -3.80 -0.24 0.00 -0.11 0.00 0.00 54.58 50.44 1cey n ASN 59 Cb 0.00 -0.99 -0.11 0.00 1.24 0.00 0.00 39.78 39.92 1cey n ASN 59 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1cey n MET 60 N -0.45 0.59 0.00 1.20 2.81 -1.26 -4.68 117.12 115.33 1cey n MET 60 Ca 0.50 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.85 1cey n MET 60 Cb 0.30 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1cey n MET 60 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1cey n PRO 61 N -4.25 0.00 0.17 0.03 -0.05 -1.26 -4.97 135.00 124.67 1cey n PRO 61 Ca -0.38 0.41 0.00 0.00 -0.05 0.00 0.00 63.50 63.48 1cey n PRO 61 Cb 0.78 -1.27 0.00 0.00 -0.05 0.00 0.00 33.50 32.97 1cey n PRO 61 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 1cey n ASN 62 N -1.73 -2.47 -4.58 3.54 0.23 -1.26 -5.13 115.26 103.85 1cey n ASN 62 Ca 0.00 0.64 -0.25 0.00 -0.53 0.00 0.00 54.58 54.44 1cey n ASN 62 Cb 0.00 2.42 0.12 0.00 -2.08 0.00 0.00 39.78 40.24 1cey n ASN 62 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1cey s MET 63 N -1.79 1.52 -0.06 -3.83 1.75 -1.26 -4.96 119.30 110.67 1cey s MET 63 Ca 0.00 -0.83 -0.02 0.00 -1.25 0.00 0.00 55.69 53.59 1cey s MET 63 Cb 0.00 -2.20 -0.04 0.00 2.84 0.00 0.00 34.83 35.43 1cey s MET 63 CO 0.00 -1.63 0.04 0.16 -0.65 0.00 0.00 175.02 172.94 1cey s ASP 64 N -4.74 5.47 0.00 1.11 -4.77 -1.26 -4.19 116.67 108.29 1cey s ASP 64 Ca 0.67 0.16 0.00 0.00 -3.30 0.00 0.00 52.55 50.08 1cey s ASP 64 Cb -0.06 -1.56 0.00 0.00 -1.09 0.00 0.00 42.92 40.21 1cey s ASP 64 CO 0.46 0.34 0.43 0.61 0.70 0.00 0.00 175.17 177.71 1cey n GLY 65 N 1.75 -0.06 0.13 2.12 0.00 -1.14 -3.35 105.19 104.65 1cey n GLY 65 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 0.17 -0.19 -0.83 0.99 6.46 -1.93 -2.51 115.31 117.47 1cey h LEU 66 Ca 0.00 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1cey h LEU 66 Cb 0.09 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1cey h LEU 66 CO 0.00 0.34 0.00 1.21 -0.62 0.00 0.00 178.44 179.37 1cey n GLU 67 N -4.91 0.10 0.03 1.25 4.07 -1.21 -1.06 120.64 118.90 1cey n GLU 67 Ca -0.04 0.54 -0.19 0.00 -0.06 0.00 0.00 57.16 57.41 1cey n GLU 67 Cb 0.16 -1.79 -0.12 0.00 -0.06 0.00 0.00 31.44 29.63 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 0.58 0.00 4.31 5.85 -1.67 -2.56 115.31 121.82 1cey h LEU 68 Ca 0.00 -0.81 -0.19 0.00 0.84 0.00 0.00 57.88 57.72 1cey h LEU 68 Cb 0.08 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1cey h LEU 68 CO 0.00 1.32 -0.97 0.17 -0.34 0.00 0.00 178.44 178.63 1cey h LEU 69 N -0.10 0.00 -0.54 2.25 8.10 -0.81 -2.72 115.31 121.49 1cey h LEU 69 Ca -0.11 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.79 1cey h LEU 69 Cb 1.48 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.68 1cey h LEU 69 CO 0.14 0.87 -0.02 0.50 -4.11 0.00 0.00 178.44 175.82 1cey h LYS 70 N 0.00 0.97 -0.28 0.17 3.64 -1.17 -0.65 116.57 119.25 1cey h LYS 70 Ca -0.04 -0.32 -0.19 0.00 -1.27 0.00 0.00 60.65 58.84 1cey h LYS 70 Cb 1.70 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1cey h LYS 70 CO 0.11 0.99 -0.56 1.15 -2.27 0.00 0.00 179.45 178.87 1cey h THR 71 N 0.84 1.28 -0.02 1.00 2.02 -1.50 0.50 112.91 117.02 1cey h THR 71 Ca 0.15 -1.74 -0.04 0.00 0.77 0.00 0.00 66.41 65.55 1cey h THR 71 Cb 0.56 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1cey h THR 71 CO 0.03 0.57 -0.18 0.40 0.37 0.00 0.00 175.52 176.70 1cey h ILE 72 N 0.65 1.15 0.01 3.11 2.04 -1.29 -2.68 117.51 120.50 1cey h ILE 72 Ca 0.01 -0.69 -0.30 0.00 1.00 0.00 0.00 64.86 64.89 1cey h ILE 72 Cb 1.16 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 1cey h ILE 72 CO 0.12 0.20 -1.74 -1.14 0.00 0.00 0.00 178.15 175.60 1cey n ARG 73 N -4.30 0.64 -0.34 2.37 0.63 -0.27 -3.95 116.66 111.44 1cey n ARG 73 Ca -0.02 0.30 0.36 0.00 -0.92 0.00 0.00 57.85 57.57 1cey n ARG 73 Cb 0.26 -1.79 0.76 0.00 0.45 0.00 0.00 32.46 32.14 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 0.90 3.17 -2.32 5.13 0.00 0.35 -3.40 119.26 123.10 1cey h ALA 74 Ca -0.30 -0.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.09 1cey h ALA 74 Cb 2.02 0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.93 1cey h ALA 74 CO 0.08 -1.53 0.38 -0.51 0.00 0.00 0.00 179.25 177.67 1cey s ASP 75 N -5.05 6.27 -0.01 0.00 1.01 -1.23 -4.96 116.67 112.70 1cey s ASP 75 Ca -0.05 1.89 0.17 0.00 0.71 0.00 0.00 52.55 55.27 1cey s ASP 75 Cb 0.23 -2.55 -0.19 0.00 1.01 0.00 0.00 42.92 41.42 1cey s ASP 75 CO 0.81 -0.83 0.62 0.61 0.21 0.00 0.00 175.17 176.58 1cey n GLY 76 N -0.45 -1.12 0.08 0.21 0.00 -1.26 -3.41 105.19 99.25 1cey n GLY 76 Ca 0.09 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 77 N -2.46 1.51 1.07 4.61 0.00 -1.26 -3.85 120.51 120.13 1cey n ALA 77 Ca -0.14 -0.84 0.09 0.00 0.00 0.00 0.00 53.44 52.55 1cey n ALA 77 Cb 0.89 -0.76 0.30 0.00 0.00 0.00 0.00 19.45 19.88 1cey n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1cey n MET 78 N -2.99 1.79 -0.17 0.00 2.81 -1.26 -4.27 117.12 113.02 1cey n MET 78 Ca -0.19 -1.20 0.00 0.00 -1.81 0.00 0.00 57.70 54.50 1cey n MET 78 Cb 1.06 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 32.21 1cey n MET 78 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1cey n SER 79 N 0.43 2.86 -0.56 7.83 3.41 -1.22 -2.79 113.62 123.59 1cey n SER 79 Ca 0.15 -1.67 0.03 0.00 -0.26 0.00 0.00 58.87 57.11 1cey n SER 79 Cb 0.33 -0.56 0.04 0.00 -0.26 0.00 0.00 64.21 63.76 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cey n ALA 80 N 1.15 2.16 -3.72 7.33 0.00 -1.26 -5.00 120.51 121.17 1cey n ALA 80 Ca 0.00 -1.57 -0.37 0.00 0.00 0.00 0.00 53.44 51.50 1cey n ALA 80 Cb 0.34 -0.50 -0.11 0.00 0.00 0.00 0.00 19.45 19.18 1cey n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1cey s LEU 81 N -0.65 5.36 -0.01 0.00 0.20 -1.12 -5.03 118.68 117.43 1cey s LEU 81 Ca 0.12 -2.15 -0.30 0.00 0.69 0.00 0.00 54.13 52.48 1cey s LEU 81 Cb 0.12 -1.87 -0.09 0.00 -0.43 0.00 0.00 46.19 43.92 1cey s LEU 81 CO -0.02 -0.55 2.00 -2.65 -0.29 0.00 0.00 176.35 174.85 1cey n PRO 82 N 4.46 2.68 -3.72 0.98 -0.02 -1.26 -4.87 135.00 133.26 1cey n PRO 82 Ca -0.01 0.96 -0.37 0.00 -2.02 0.00 0.00 63.50 62.05 1cey n PRO 82 Cb 0.41 -3.00 -0.12 0.00 -0.02 0.00 0.00 33.50 30.76 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cey s VAL 83 N 4.97 4.43 -0.43 -1.45 1.01 -1.26 -2.53 120.40 125.16 1cey s VAL 83 Ca 0.91 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.49 1cey s VAL 83 Cb -0.45 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1cey s VAL 83 CO 0.42 0.25 0.38 -0.22 0.00 0.00 0.00 175.10 175.94 1cey s LEU 84 N 1.62 5.05 -0.64 3.92 1.98 -0.90 -1.24 118.68 128.47 1cey s LEU 84 Ca 0.06 -0.85 -0.26 0.00 -2.89 0.00 0.00 54.13 50.19 1cey s LEU 84 Cb -0.16 -2.27 0.04 0.00 0.66 0.00 0.00 46.19 44.46 1cey s LEU 84 CO 0.05 -0.55 1.11 -0.32 -1.89 0.00 0.00 176.35 174.75 1cey s MET 85 N 1.92 3.29 0.04 1.98 -2.45 -0.97 -3.19 119.30 119.93 1cey s MET 85 Ca 0.08 -0.24 -0.05 0.00 -1.25 0.00 0.00 55.69 54.24 1cey s MET 85 Cb -0.19 -4.12 -0.05 0.00 1.25 0.00 0.00 34.83 31.73 1cey s MET 85 CO 0.11 -1.80 0.28 0.14 1.05 0.00 0.00 175.02 174.80 1cey s VAL 86 N 4.77 5.29 0.06 10.11 -7.23 -0.73 -2.71 120.40 129.95 1cey s VAL 86 Ca 0.33 0.05 -0.14 0.00 -1.81 0.00 0.00 61.98 60.41 1cey s VAL 86 Cb -0.11 -3.59 0.02 0.00 0.56 0.00 0.00 36.38 33.26 1cey s VAL 86 CO 0.18 0.26 0.30 0.28 -0.31 0.00 0.00 175.10 175.81 1cey s THR 87 N -1.41 0.09 -0.19 5.32 -1.32 -1.00 -4.15 115.64 112.98 1cey s THR 87 Ca 0.32 -0.72 -0.22 0.00 -1.21 0.00 0.00 61.69 59.85 1cey s THR 87 Cb -0.13 -1.00 -0.20 0.00 -1.51 0.00 0.00 72.50 69.66 1cey s THR 87 CO 0.20 -0.39 0.30 0.00 -2.21 0.00 0.00 174.62 172.51 1cey h ALA 88 N 3.08 0.21 -0.82 11.08 0.00 -1.90 0.48 119.26 131.40 1cey h ALA 88 Ca -0.32 -1.07 -0.74 0.00 0.00 0.00 0.00 54.91 52.78 1cey h ALA 88 Cb 1.20 0.60 -0.17 0.00 0.00 0.00 0.00 17.79 19.42 1cey h ALA 88 CO 0.47 0.57 1.82 0.39 0.00 0.00 0.00 179.25 182.50 1cey n GLU 89 N -4.47 4.60 -1.49 0.00 1.02 -1.26 -4.71 120.64 114.33 1cey n GLU 89 Ca -0.28 -3.72 -0.13 0.00 -0.02 0.00 0.00 57.16 53.02 1cey n GLU 89 Cb 0.63 -2.53 -0.11 0.00 -0.02 0.00 0.00 31.44 29.41 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cey n ALA 90 N 1.07 0.47 -1.80 0.62 0.00 -1.26 -4.87 120.51 114.74 1cey n ALA 90 Ca 0.57 -1.46 -0.41 0.00 0.00 0.00 0.00 53.44 52.14 1cey n ALA 90 Cb 0.27 -2.81 -0.03 0.00 0.00 0.00 0.00 19.45 16.88 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 8.02 4.52 0.57 0.00 2.20 -1.26 -4.81 119.74 128.98 1cey s LYS 91 Ca 0.87 1.97 0.40 0.00 -0.36 0.00 0.00 55.97 58.84 1cey s LYS 91 Cb -0.23 -3.15 1.44 0.00 -1.51 0.00 0.00 37.83 34.38 1cey s LYS 91 CO 0.19 0.03 1.54 -0.22 -0.36 0.00 0.00 175.35 176.53 1cey h LYS 92 N 3.84 0.00 0.00 4.03 1.63 -2.02 1.75 116.57 125.80 1cey h LYS 92 Ca -0.47 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.07 1cey h LYS 92 Cb 1.22 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.80 1cey h LYS 92 CO 0.67 0.00 -1.53 1.49 -3.45 0.00 0.00 179.45 176.63 1cey h GLU 93 N 0.00 0.00 0.00 1.90 4.57 -1.97 -3.34 114.58 115.74 1cey h GLU 93 Ca 0.70 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.80 1cey h GLU 93 Cb 3.13 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 31.71 1cey h GLU 93 CO -0.01 0.55 -0.39 -0.97 -1.18 0.00 0.00 179.01 177.01 1cey h ASN 94 N 0.00 0.00 0.54 1.04 -1.24 0.23 -0.51 115.58 115.64 1cey h ASN 94 Ca -0.22 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.76 1cey h ASN 94 Cb 1.91 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.97 1cey h ASN 94 CO 0.08 0.39 -0.26 0.40 -1.29 0.00 0.00 177.43 176.76 1cey h ILE 95 N 0.00 0.15 0.00 2.57 5.03 -1.52 -2.86 117.51 120.88 1cey h ILE 95 Ca -0.00 -0.47 0.00 0.00 -0.12 0.00 0.00 64.86 64.27 1cey h ILE 95 Cb 0.74 0.23 0.00 0.00 -3.03 0.00 0.00 36.82 34.76 1cey h ILE 95 CO 0.05 0.03 0.00 0.40 -0.68 0.00 0.00 178.15 177.95 1cey h ILE 96 N -1.13 0.00 0.00 -0.67 2.04 -1.68 -2.47 117.51 113.60 1cey h ILE 96 Ca -0.07 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1cey h ILE 96 Cb 0.60 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1cey h ILE 96 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1cey n ALA 97 N -2.07 -0.40 -0.25 1.87 0.00 -0.20 0.28 120.51 119.73 1cey n ALA 97 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.48 1cey n ALA 97 Cb 0.15 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.79 1cey n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cey h ALA 98 N -2.00 1.03 0.00 0.00 0.00 -1.50 0.88 119.26 117.68 1cey h ALA 98 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1cey h ALA 98 Cb 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1cey h ALA 98 CO 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 179.25 178.86 1cey h ALA 99 N 1.57 1.21 -0.75 0.00 0.00 -1.34 -0.93 119.26 119.03 1cey h ALA 99 Ca 0.42 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.40 1cey h ALA 99 Cb 0.66 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1cey h ALA 99 CO -0.44 0.17 0.53 0.37 0.00 0.00 0.00 179.25 179.88 1cey h GLN 100 N 0.00 0.08 0.00 0.00 4.15 1.15 2.67 115.11 123.16 1cey h GLN 100 Ca -0.00 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 1cey h GLN 100 Cb 0.42 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1cey h GLN 100 CO 0.02 0.06 -1.16 0.00 -1.93 0.00 0.00 178.83 175.81 1cey n ALA 101 N -2.65 2.35 -2.45 3.38 0.00 -0.44 -5.02 120.51 115.69 1cey n ALA 101 Ca 0.15 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 1cey n ALA 101 Cb 0.76 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 1.25 -1.06 0.00 0.00 0.00 0.89 -4.92 105.19 101.35 1cey n GLY 102 Ca -0.03 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.70 0.00 -0.11 4.61 0.00 -1.26 -4.96 120.51 118.09 1cey n ALA 103 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 1cey n ALA 103 Cb 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 1.88 0.00 0.00 3.41 -0.37 -4.75 113.62 113.78 1cey n SER 104 Ca 0.00 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1cey n SER 104 Cb 0.00 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 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 1.41 -0.81 2.98 5.00 0.00 -1.24 -4.98 105.19 107.55 1cey n GLY 105 Ca -0.35 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 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 0.29 -0.08 1.61 5.04 -1.26 -2.29 117.35 117.67 1cey s TYR 106 Ca 0.00 -0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 54.10 1cey s TYR 106 Cb 0.00 -0.20 0.04 0.00 0.35 0.00 0.00 41.96 42.15 1cey s TYR 106 CO 0.00 -0.17 0.16 0.54 -1.34 0.00 0.00 175.55 174.74 1cey s VAL 107 N -1.37 -0.16 -0.26 3.14 0.11 -1.10 -4.97 120.40 115.79 1cey s VAL 107 Ca -0.14 0.27 -0.29 0.00 -2.93 0.00 0.00 61.98 58.89 1cey s VAL 107 Cb -0.09 -0.27 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1cey s VAL 107 CO -0.01 0.11 1.47 0.54 -3.33 0.00 0.00 175.10 173.88 1cey s VAL 108 N 1.77 3.91 0.50 2.04 0.11 -1.26 -2.37 120.40 125.10 1cey s VAL 108 Ca -0.03 1.02 -0.05 0.00 -2.93 0.00 0.00 61.98 60.00 1cey s VAL 108 Cb -0.12 -3.92 -0.02 0.00 -1.53 0.00 0.00 36.38 30.79 1cey s VAL 108 CO -0.06 -0.37 0.80 -1.59 -3.33 0.00 0.00 175.10 170.55 1cey s LYS 109 N 4.42 3.36 0.09 1.54 -2.85 0.17 -3.95 119.74 122.52 1cey s LYS 109 Ca 0.64 0.09 -0.31 0.00 -1.00 0.00 0.00 55.97 55.40 1cey s LYS 109 Cb -0.21 -2.37 -0.06 0.00 -2.06 0.00 0.00 37.83 33.13 1cey s LYS 109 CO 0.26 -0.32 1.21 -1.25 0.10 0.00 0.00 175.35 175.35 1cey s PRO 110 N -4.78 4.44 0.13 1.78 0.05 -1.26 -4.17 135.00 131.20 1cey s PRO 110 Ca 0.49 1.80 0.03 0.00 0.05 0.00 0.00 61.00 63.37 1cey s PRO 110 Cb -0.10 -3.32 -0.04 0.00 0.05 0.00 0.00 34.50 31.09 1cey s PRO 110 CO 0.44 -0.23 0.23 -0.59 0.05 0.00 0.00 177.00 176.91 1cey s PHE 111 N 0.83 3.42 0.24 0.56 -0.12 -1.25 -5.10 117.98 116.56 1cey s PHE 111 Ca 0.58 0.11 -0.11 0.00 -0.05 0.00 0.00 56.93 57.46 1cey s PHE 111 Cb -0.30 -1.65 -0.07 0.00 -0.63 0.00 0.00 43.02 40.36 1cey s PHE 111 CO 0.31 0.53 0.58 0.99 -0.05 0.00 0.00 175.22 177.58 1cey s THR 112 N -1.68 4.88 0.61 -4.49 2.01 -1.26 -4.79 115.64 110.92 1cey s THR 112 Ca 0.34 0.59 0.27 0.00 0.31 0.00 0.00 61.69 63.19 1cey s THR 112 Cb -0.11 -3.63 0.34 0.00 0.01 0.00 0.00 72.50 69.11 1cey s THR 112 CO 0.27 -0.06 1.70 0.00 -0.69 0.00 0.00 174.62 175.85 1cey h ALA 113 N 2.61 2.20 -0.01 7.40 0.00 -1.99 1.37 119.26 130.84 1cey h ALA 113 Ca -0.47 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 1cey h ALA 113 Cb 1.17 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1cey h ALA 113 CO 0.68 -0.91 -0.87 0.00 0.00 0.00 0.00 179.25 178.15 1cey h ALA 114 N 1.12 0.47 0.27 0.00 0.00 -1.97 -1.00 119.26 118.16 1cey h ALA 114 Ca 0.23 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1cey h ALA 114 Cb 1.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1cey h ALA 114 CO -0.00 0.84 -0.13 1.79 0.00 0.00 0.00 179.25 181.75 1cey h THR 115 N 0.19 0.00 -0.98 0.00 1.35 0.14 0.16 112.91 113.78 1cey h THR 115 Ca -0.06 -0.61 0.22 0.00 -0.55 0.00 0.00 66.41 65.42 1cey h THR 115 Cb 1.49 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.83 1cey h THR 115 CO 0.14 0.00 0.63 0.25 -0.25 0.00 0.00 175.52 176.29 1cey h LEU 116 N -0.97 0.53 0.51 3.87 6.46 -1.38 -1.50 115.31 122.82 1cey h LEU 116 Ca -0.04 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 1cey h LEU 116 Cb 0.28 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1cey h LEU 116 CO 0.06 0.17 -0.24 -0.08 -0.62 0.00 0.00 178.44 177.73 1cey h GLU 117 N 0.51 -0.65 -1.43 1.25 4.57 -1.14 0.11 114.58 117.79 1cey h GLU 117 Ca 0.55 0.04 0.45 0.00 -1.18 0.00 0.00 59.36 59.22 1cey h GLU 117 Cb 1.21 0.15 -0.11 0.00 -0.16 0.00 0.00 28.75 29.84 1cey h GLU 117 CO -0.28 -0.35 0.96 0.93 -1.18 0.00 0.00 179.01 179.09 1cey h GLU 118 N -0.97 0.07 0.00 1.92 5.08 0.37 1.61 114.58 122.66 1cey h GLU 118 Ca -0.07 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 1cey h GLU 118 Cb 0.61 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1cey h GLU 118 CO 0.11 0.05 -1.41 1.63 -1.00 0.00 0.00 179.01 178.39 1cey n LYS 119 N -4.51 0.62 0.10 2.33 5.02 -0.98 -3.88 118.16 116.86 1cey n LYS 119 Ca 0.37 0.23 -0.04 0.00 -2.02 0.00 0.00 58.31 56.85 1cey n LYS 119 Cb 1.51 -1.81 -0.02 0.00 -0.02 0.00 0.00 35.03 34.69 1cey n LYS 119 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1cey h LEU 120 N 0.00 -0.23 -0.77 -0.35 5.85 0.50 -1.46 115.31 118.84 1cey h LEU 120 Ca -0.16 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.72 1cey h LEU 120 Cb 1.59 0.06 -0.15 0.00 0.37 0.00 0.00 40.66 42.54 1cey h LEU 120 CO 0.05 -0.12 -0.21 -1.13 -0.34 0.00 0.00 178.44 176.69 1cey h ASN 121 N -0.38 -0.78 0.07 1.25 -0.73 -1.51 1.21 115.58 114.71 1cey h ASN 121 Ca -0.03 0.24 -0.01 0.00 1.87 0.00 0.00 56.30 58.37 1cey h ASN 121 Cb 0.21 0.50 -0.00 0.00 0.27 0.00 0.00 38.32 39.30 1cey h ASN 121 CO 0.05 -0.26 -0.04 0.11 -0.37 0.00 0.00 177.43 176.91 1cey h LYS 122 N -0.01 0.00 0.10 6.67 1.57 -1.67 -2.57 116.57 120.66 1cey h LYS 122 Ca 0.36 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.98 1cey h LYS 122 Cb 0.57 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.89 1cey h LYS 122 CO -0.80 0.04 -0.77 0.82 -0.57 0.00 0.00 179.45 178.17 1cey h ILE 123 N 0.00 1.47 0.00 1.86 2.04 0.25 -3.23 117.51 119.89 1cey h ILE 123 Ca -0.00 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.39 1cey h ILE 123 Cb 0.09 3.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1cey h ILE 123 CO 0.01 0.68 0.00 0.49 0.00 0.00 0.00 178.15 179.32 1cey n PHE 124 N -4.20 0.00 0.19 1.37 3.01 0.43 -1.27 117.46 116.99 1cey n PHE 124 Ca -0.16 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.34 1cey n PHE 124 Cb 0.76 -0.32 0.39 0.00 -0.01 0.00 0.00 39.48 40.30 1cey n PHE 124 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1cey h GLU 125 N 0.00 0.00 0.08 -1.08 4.81 -1.49 0.62 114.58 117.53 1cey h GLU 125 Ca 0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 1cey h GLU 125 Cb 0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1cey h GLU 125 CO 0.00 0.35 -1.62 0.87 -0.73 0.00 0.00 179.01 177.88 1cey h LYS 126 N 0.00 0.17 0.00 1.92 1.57 -1.38 -3.29 116.57 115.56 1cey h LYS 126 Ca -0.00 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.39 1cey h LYS 126 Cb 0.64 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1cey h LYS 126 CO 0.05 0.96 -0.44 1.25 -0.57 0.00 0.00 179.45 180.70 1cey h LEU 127 N 0.05 0.00 -3.00 2.94 6.46 -1.39 -3.48 115.31 116.90 1cey h LEU 127 Ca -0.27 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.30 1cey h LEU 127 Cb 2.00 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.94 1cey h LEU 127 CO 0.13 0.44 -0.93 0.61 -0.62 0.00 0.00 178.44 178.06 1cey n GLY 128 N 0.23 -0.67 0.60 3.75 0.00 0.21 -5.08 105.19 104.23 1cey n GLY 128 Ca -0.00 1.05 0.08 0.00 0.00 0.00 0.00 46.02 47.14 1cey n GLY 128 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19