#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5chy s ASP 3 N 0.00 6.91 0.61 0.00 2.15 -1.26 -4.95 116.67 120.13 5chy s ASP 3 Ca 0.00 1.86 0.33 0.00 0.43 0.00 0.00 52.55 55.18 5chy s ASP 3 Cb 0.00 -2.54 1.98 0.00 -0.30 0.00 0.00 42.92 42.06 5chy s ASP 3 CO 0.00 -0.75 2.29 0.11 -0.17 0.00 0.00 175.17 176.65 5chy h LYS 4 N 8.22 0.00 -0.32 4.34 1.79 -2.00 -1.24 116.57 127.37 5chy h LYS 4 Ca -0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 5chy h LYS 4 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 5chy h LYS 4 CO 0.94 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 179.70 5chy n GLU 5 N -3.66 1.92 -1.69 3.15 -0.58 -1.26 -4.13 120.64 114.39 5chy n GLU 5 Ca -0.03 -1.40 -0.45 0.00 -0.42 0.00 0.00 57.16 54.86 5chy n GLU 5 Cb 0.08 -1.37 -0.04 0.00 -0.57 0.00 0.00 31.44 29.54 5chy n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 5chy n LEU 6 N 0.63 3.60 -4.61 -4.62 7.94 -0.47 -4.80 117.00 114.67 5chy n LEU 6 Ca 0.15 1.03 -0.42 0.00 -1.11 0.00 0.00 56.01 55.66 5chy n LEU 6 Cb 0.36 -1.48 -0.04 0.00 0.53 0.00 0.00 43.42 42.79 5chy n LEU 6 CO 0.11 -0.03 0.66 -0.75 -1.11 0.00 0.00 177.39 176.27 5chy s LYS 7 N 2.00 3.95 0.17 1.96 2.20 -1.26 -4.50 119.74 124.27 5chy s LYS 7 Ca 0.81 0.64 -0.10 0.00 -0.36 0.00 0.00 55.97 56.96 5chy s LYS 7 Cb -0.59 -3.74 -0.07 0.00 -1.51 0.00 0.00 37.83 31.92 5chy s LYS 7 CO 0.39 -0.74 0.49 -0.06 -0.36 0.00 0.00 175.35 175.06 5chy s PHE 8 N 3.11 3.49 -0.14 4.03 0.40 -0.39 -0.97 117.98 127.51 5chy s PHE 8 Ca 0.35 0.83 0.01 0.00 -0.60 0.00 0.00 56.93 57.52 5chy s PHE 8 Cb -0.14 -2.21 0.02 0.00 0.51 0.00 0.00 43.02 41.20 5chy s PHE 8 CO 0.14 0.37 -0.15 -1.17 0.70 0.00 0.00 175.22 175.11 5chy s LEU 9 N -2.49 1.72 -0.32 -0.37 2.96 -0.53 -1.82 118.68 117.83 5chy s LEU 9 Ca 0.42 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 5chy s LEU 9 Cb -0.12 -1.18 0.03 0.00 0.50 0.00 0.00 46.19 45.41 5chy s LEU 9 CO 0.21 -0.04 0.08 -0.69 -1.32 0.00 0.00 176.35 174.59 5chy s VAL 10 N 1.38 3.73 -0.26 1.68 1.01 0.12 -0.04 120.40 128.02 5chy s VAL 10 Ca 0.03 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 5chy s VAL 10 Cb -0.13 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 5chy s VAL 10 CO -0.09 -0.07 0.06 -0.69 0.00 0.00 0.00 175.10 174.31 5chy s VAL 11 N 1.42 4.12 -0.28 2.92 1.01 0.29 -0.40 120.40 129.48 5chy s VAL 11 Ca -0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 5chy s VAL 11 Cb -0.19 -2.98 0.12 0.00 0.00 0.00 0.00 36.38 33.34 5chy s VAL 11 CO 0.02 0.27 1.02 -0.62 0.00 0.00 0.00 175.10 175.79 5chy s ASP 12 N 1.57 -0.46 0.00 3.32 -1.08 -0.58 -2.24 116.67 117.21 5chy s ASP 12 Ca 0.05 0.87 0.28 0.00 -0.52 0.00 0.00 52.55 53.23 5chy s ASP 12 Cb -0.16 0.88 1.08 0.00 -1.46 0.00 0.00 42.92 43.26 5chy s ASP 12 CO 0.03 -0.16 1.79 -0.90 0.52 0.00 0.00 175.17 176.44 5chy n ASP 13 N 2.18 0.33 -4.42 -0.34 5.75 -1.19 -4.11 116.55 114.75 5chy n ASP 13 Ca -0.12 -0.19 -0.42 0.00 -0.01 0.00 0.00 54.79 54.04 5chy n ASP 13 Cb 0.56 -0.13 -0.10 0.00 -1.03 0.00 0.00 41.12 40.42 5chy n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 5chy s PHE 14 N -2.74 3.25 0.38 2.11 0.40 -1.26 -4.95 117.98 115.17 5chy s PHE 14 Ca 0.21 -0.78 0.12 0.00 -0.60 0.00 0.00 56.93 55.88 5chy s PHE 14 Cb 0.19 -2.64 0.91 0.00 0.51 0.00 0.00 43.02 41.99 5chy s PHE 14 CO 0.54 -0.65 1.87 0.66 0.70 0.00 0.00 175.22 178.35 5chy h SER 15 N 8.59 0.56 -0.21 1.36 4.64 -1.99 0.37 113.55 126.87 5chy h SER 15 Ca -0.27 0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.00 5chy h SER 15 Cb 1.11 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 5chy h SER 15 CO 0.74 0.27 -0.19 0.74 -0.87 0.00 0.00 176.83 177.52 5chy h THR 16 N 0.58 1.26 -0.58 2.95 2.02 -1.97 -2.00 112.91 115.18 5chy h THR 16 Ca 0.44 -1.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.31 5chy h THR 16 Cb 0.84 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 5chy h THR 16 CO -0.19 0.41 0.05 -0.03 0.37 0.00 0.00 175.52 176.13 5chy h MET 17 N 0.58 0.97 -0.79 6.66 -1.53 -0.70 -2.23 114.93 117.89 5chy h MET 17 Ca 0.09 -0.26 0.02 0.00 -3.44 0.00 0.00 59.70 56.10 5chy h MET 17 Cb 0.64 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 31.54 5chy h MET 17 CO 0.05 0.93 0.52 0.00 0.14 0.00 0.00 176.91 178.54 5chy h ARG 18 N 0.91 1.01 -0.30 0.39 3.08 -0.90 -1.38 114.38 117.18 5chy h ARG 18 Ca 0.18 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 5chy h ARG 18 Cb 0.46 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 5chy h ARG 18 CO 0.02 0.67 -0.28 -0.09 -1.07 0.00 0.00 179.97 179.21 5chy h ARG 19 N 1.04 0.62 0.53 0.04 2.43 -1.12 0.88 114.38 118.79 5chy h ARG 19 Ca 0.30 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 5chy h ARG 19 Cb -0.07 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 5chy h ARG 19 CO -0.08 0.83 -0.25 0.82 -1.51 0.00 0.00 179.97 179.78 5chy h ILE 20 N 0.53 0.48 -0.62 1.20 2.04 -0.94 0.24 117.51 120.44 5chy h ILE 20 Ca 0.07 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.89 5chy h ILE 20 Cb 0.76 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 5chy h ILE 20 CO 0.06 0.01 0.40 0.58 0.00 0.00 0.00 178.15 179.20 5chy h VAL 21 N -0.73 1.17 -0.45 1.67 2.07 -1.15 0.24 116.25 119.06 5chy h VAL 21 Ca -0.07 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 5chy h VAL 21 Cb 0.55 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 5chy h VAL 21 CO 0.12 0.17 0.07 -0.09 0.02 0.00 0.00 177.57 177.86 5chy h ARG 22 N 0.85 0.70 0.01 1.57 2.43 -0.69 -0.81 114.38 118.44 5chy h ARG 22 Ca 0.23 -0.15 -0.19 0.00 -0.81 0.00 0.00 59.98 59.06 5chy h ARG 22 Cb -0.07 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 5chy h ARG 22 CO -0.05 0.66 -0.89 -0.91 -1.51 0.00 0.00 179.97 177.28 5chy h ASN 23 N 0.67 0.09 -0.61 -3.80 2.35 0.87 -2.55 115.58 112.61 5chy h ASN 23 Ca 0.15 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 5chy h ASN 23 Cb 0.31 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 5chy h ASN 23 CO 0.00 0.93 0.16 -0.07 -1.65 0.00 0.00 177.43 176.80 5chy h LEU 24 N 0.03 0.91 -0.10 1.61 3.38 -0.24 -2.01 115.31 118.89 5chy h LEU 24 Ca -0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 5chy h LEU 24 Cb 1.54 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 5chy h LEU 24 CO 0.12 0.90 0.02 -0.07 0.09 0.00 0.00 178.44 179.51 5chy h LEU 25 N 0.88 0.16 -1.05 1.67 3.38 -1.11 -2.66 115.31 116.58 5chy h LEU 25 Ca 0.19 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.97 5chy h LEU 25 Cb 0.34 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 5chy h LEU 25 CO 0.00 0.36 0.64 0.50 0.09 0.00 0.00 178.44 180.02 5chy h LYS 26 N -0.05 1.16 -0.38 1.13 3.64 -1.13 -0.24 116.57 120.70 5chy h LYS 26 Ca 0.03 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 5chy h LYS 26 Cb 0.26 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 5chy h LYS 26 CO 0.00 0.77 0.13 1.49 -2.27 0.00 0.00 179.45 179.56 5chy h GLU 27 N 1.19 0.54 0.00 1.90 4.81 -1.25 -1.01 114.58 120.76 5chy h GLU 27 Ca 0.40 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 5chy h GLU 27 Cb 0.08 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.36 5chy h GLU 27 CO -0.14 0.47 -0.22 1.28 -0.73 0.00 0.00 179.01 179.67 5chy n LEU 28 N -4.37 0.60 0.00 1.64 4.77 -0.86 -4.94 117.00 113.85 5chy n LEU 28 Ca 0.02 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 5chy n LEU 28 Cb 0.16 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 5chy n LEU 28 CO 0.37 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 5chy n GLY 29 N 1.37 0.79 3.30 -0.72 0.00 -0.38 -5.08 105.19 104.47 5chy n GLY 29 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 5chy n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5chy s PHE 30 N -2.00 3.27 -1.31 1.61 0.08 -0.16 -4.81 117.98 114.67 5chy s PHE 30 Ca 0.00 -1.33 0.23 0.00 0.12 0.00 0.00 56.93 55.95 5chy s PHE 30 Cb 0.00 -3.69 0.18 0.00 -0.57 0.00 0.00 43.02 38.94 5chy s PHE 30 CO 0.00 -0.99 1.19 0.09 -0.10 0.00 0.00 175.22 175.40 5chy n ASN 31 N 5.20 1.05 -4.39 1.36 3.02 -1.26 -2.47 115.26 117.77 5chy n ASN 31 Ca -0.13 -0.86 -0.45 0.00 -0.03 0.00 0.00 54.58 53.10 5chy n ASN 31 Cb 0.40 0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 40.11 5chy n ASN 31 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 5chy s ASN 32 N -2.82 6.82 -0.05 6.41 0.01 -1.26 -4.98 114.94 119.06 5chy s ASN 32 Ca 0.13 -2.61 0.02 0.00 -0.71 0.00 0.00 52.86 49.70 5chy s ASN 32 Cb 0.17 -2.30 0.01 0.00 0.41 0.00 0.00 41.25 39.54 5chy s ASN 32 CO 0.71 -0.74 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.78 5chy s VAL 33 N 1.08 0.87 0.24 1.60 1.01 -1.26 -1.26 120.40 122.68 5chy s VAL 33 Ca 0.28 -0.34 0.11 0.00 0.00 0.00 0.00 61.98 62.03 5chy s VAL 33 Cb -0.07 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 5chy s VAL 33 CO -0.08 0.29 -0.17 -1.61 0.00 0.00 0.00 175.10 173.53 5chy s GLU 34 N 0.63 1.77 0.15 2.72 0.41 -0.76 -4.99 118.70 118.62 5chy s GLU 34 Ca -0.11 -1.60 0.09 0.00 -0.41 0.00 0.00 54.97 52.95 5chy s GLU 34 Cb -0.14 -1.89 -0.04 0.00 -1.78 0.00 0.00 34.13 30.28 5chy s GLU 34 CO 0.02 0.37 -0.21 -1.21 -0.49 0.00 0.00 175.26 173.73 5chy s GLU 35 N -3.22 1.31 0.04 1.61 2.02 -1.26 -0.70 118.70 118.49 5chy s GLU 35 Ca 0.27 -1.37 0.01 0.00 0.02 0.00 0.00 54.97 53.90 5chy s GLU 35 Cb -0.06 -1.54 -0.03 0.00 0.10 0.00 0.00 34.13 32.60 5chy s GLU 35 CO 0.14 0.34 -0.05 0.00 0.02 0.00 0.00 175.26 175.71 5chy s ALA 36 N -1.61 0.39 -0.77 5.21 0.00 0.47 -4.88 121.76 120.58 5chy s ALA 36 Ca 0.14 -0.81 0.19 0.00 0.00 0.00 0.00 51.96 51.48 5chy s ALA 36 Cb -0.08 0.14 -0.22 0.00 0.00 0.00 0.00 23.12 22.96 5chy s ALA 36 CO 0.07 -0.16 0.74 -0.85 0.00 0.00 0.00 175.76 175.57 5chy n GLU 37 N 1.18 0.79 -3.82 0.00 0.28 -1.26 -1.53 120.64 116.29 5chy n GLU 37 Ca -0.21 -0.02 -0.08 0.00 -0.16 0.00 0.00 57.16 56.68 5chy n GLU 37 Cb 0.56 -1.39 0.02 0.00 1.43 0.00 0.00 31.44 32.06 5chy n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 5chy s ASP 38 N -2.96 -0.01 0.14 -1.84 1.47 -1.26 -3.15 116.67 109.07 5chy s ASP 38 Ca 0.05 -1.08 -0.19 0.00 1.18 0.00 0.00 52.55 52.51 5chy s ASP 38 Cb 0.14 0.82 0.00 0.00 -0.34 0.00 0.00 42.92 43.54 5chy s ASP 38 CO 0.77 -1.61 1.73 1.23 0.68 0.00 0.00 175.17 177.96 5chy h GLY 39 N 2.00 0.26 0.65 2.12 0.00 -1.22 -1.93 103.07 104.94 5chy h GLY 39 Ca -0.31 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.04 5chy h GLY 39 CO 0.40 -0.03 -0.20 -2.08 0.00 0.00 0.00 176.54 174.62 5chy h VAL 40 N 0.11 0.54 -0.38 4.60 2.07 -1.91 -2.38 116.25 118.90 5chy h VAL 40 Ca 0.12 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.72 5chy h VAL 40 Cb 0.14 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 30.36 5chy h VAL 40 CO -0.18 0.00 -0.24 -0.78 0.02 0.00 0.00 177.57 176.40 5chy h ASP 41 N -0.38 -0.79 -0.74 0.57 3.58 -1.95 0.77 116.42 117.48 5chy h ASP 41 Ca 0.03 0.16 0.07 0.00 0.42 0.00 0.00 57.03 57.71 5chy h ASP 41 Cb 0.40 0.40 -0.06 0.00 1.72 0.00 0.00 39.33 41.79 5chy h ASP 41 CO -0.12 -0.26 0.42 0.00 -2.88 0.00 0.00 179.24 176.40 5chy h ALA 42 N 1.00 1.01 -0.73 -0.78 0.00 -1.19 -1.72 119.26 116.85 5chy h ALA 42 Ca 0.18 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 5chy h ALA 42 Cb 0.46 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 5chy h ALA 42 CO -0.48 0.10 0.24 -0.07 0.00 0.00 0.00 179.25 179.04 5chy h LEU 43 N 0.76 1.05 -0.67 0.00 3.38 -0.63 0.86 115.31 120.06 5chy h LEU 43 Ca 0.33 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.12 5chy h LEU 43 Cb 0.22 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 5chy h LEU 43 CO -0.20 0.96 0.43 0.78 0.09 0.00 0.00 178.44 180.50 5chy h ASN 44 N 1.08 0.78 0.08 -0.43 2.35 -0.32 -1.20 115.58 117.91 5chy h ASN 44 Ca 0.24 -0.04 -0.24 0.00 -0.55 0.00 0.00 56.30 55.71 5chy h ASN 44 Cb 0.28 -0.20 0.02 0.00 0.05 0.00 0.00 38.32 38.48 5chy h ASN 44 CO -0.01 0.58 -1.00 0.11 -1.65 0.00 0.00 177.43 175.46 5chy h LYS 45 N 0.91 0.54 -0.21 0.81 1.57 -0.39 -3.21 116.57 116.59 5chy h LYS 45 Ca 0.24 -0.69 0.06 0.00 -1.87 0.00 0.00 60.65 58.40 5chy h LYS 45 Cb -0.08 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 5chy h LYS 45 CO -0.05 1.29 0.15 -0.07 -0.57 0.00 0.00 179.45 180.20 5chy h LEU 46 N 0.11 0.01 -0.77 2.94 3.38 0.86 -2.38 115.31 119.45 5chy h LEU 46 Ca -0.15 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.90 5chy h LEU 46 Cb 1.70 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.39 5chy h LEU 46 CO 0.19 0.00 0.44 1.56 0.09 0.00 0.00 178.44 180.73 5chy h GLN 47 N 0.01 0.75 -0.08 1.13 1.08 -1.21 -1.93 115.11 114.86 5chy h GLN 47 Ca 0.10 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 5chy h GLN 47 Cb 0.40 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 5chy h GLN 47 CO -0.00 0.50 0.10 0.00 -0.95 0.00 0.00 178.83 178.47 5chy h ALA 48 N 1.41 1.59 -1.32 3.87 0.00 -1.56 -3.48 119.26 119.77 5chy h ALA 48 Ca 0.36 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.43 5chy h ALA 48 Cb 0.28 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 5chy h ALA 48 CO -0.22 -0.14 -0.22 0.41 0.00 0.00 0.00 179.25 179.08 5chy n GLY 49 N -1.33 -1.57 0.00 0.00 0.00 -0.73 -4.99 105.19 96.58 5chy n GLY 49 Ca -0.01 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.63 5chy n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5chy n GLY 50 N -2.38 1.20 3.77 -0.02 0.00 -1.26 -4.99 105.19 101.50 5chy n GLY 50 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 5chy n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 5chy s TYR 51 N -2.25 2.85 0.00 1.61 2.02 -1.26 -4.58 117.35 115.73 5chy s TYR 51 Ca 0.00 1.43 0.00 0.00 -0.37 0.00 0.00 57.07 58.13 5chy s TYR 51 Cb 0.00 -3.63 0.00 0.00 -0.40 0.00 0.00 41.96 37.93 5chy s TYR 51 CO 0.00 -1.98 0.00 0.41 -1.57 0.00 0.00 175.55 172.41 5chy n GLY 52 N 0.67 0.00 3.25 0.71 0.00 -0.15 -4.97 105.19 104.70 5chy n GLY 52 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 5chy n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 5chy s PHE 53 N -1.77 -0.37 -0.13 1.61 2.19 -0.92 -4.24 117.98 114.34 5chy s PHE 53 Ca 0.00 0.88 0.03 0.00 0.33 0.00 0.00 56.93 58.17 5chy s PHE 53 Cb 0.00 0.13 0.01 0.00 -1.31 0.00 0.00 43.02 41.85 5chy s PHE 53 CO 0.00 -0.21 -0.22 0.08 1.83 0.00 0.00 175.22 176.70 5chy s VAL 54 N 0.01 2.03 -0.24 3.12 1.01 -0.06 -1.45 120.40 124.82 5chy s VAL 54 Ca -0.02 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 5chy s VAL 54 Cb -0.03 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.58 5chy s VAL 54 CO 0.01 0.54 -0.05 -0.63 0.00 0.00 0.00 175.10 174.98 5chy s ILE 55 N 0.79 3.12 -0.02 2.22 1.01 0.94 -1.07 121.20 128.18 5chy s ILE 55 Ca -0.08 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.78 5chy s ILE 55 Cb -0.16 -2.52 -0.00 0.00 0.01 0.00 0.00 42.46 39.79 5chy s ILE 55 CO -0.01 0.27 -0.09 -0.55 0.00 0.00 0.00 174.94 174.57 5chy s SER 56 N 1.39 1.10 0.10 3.58 0.15 -0.21 -0.55 113.70 119.27 5chy s SER 56 Ca 0.03 -0.17 -0.31 0.00 0.70 0.00 0.00 55.95 56.20 5chy s SER 56 Cb -0.16 -0.21 -0.07 0.00 -1.71 0.00 0.00 66.02 63.87 5chy s SER 56 CO -0.04 0.08 1.29 -0.62 1.20 0.00 0.00 173.24 175.15 5chy s ASP 57 N 0.01 6.96 0.22 5.45 2.15 -0.95 0.13 116.67 130.65 5chy s ASP 57 Ca -0.00 2.19 -0.08 0.00 0.43 0.00 0.00 52.55 55.09 5chy s ASP 57 Cb -0.06 -2.59 0.19 0.00 -0.30 0.00 0.00 42.92 40.16 5chy s ASP 57 CO 0.00 -0.54 1.85 -0.25 -0.17 0.00 0.00 175.17 176.06 5chy h TRP 58 N 6.56 1.17 -3.53 -5.34 2.91 0.10 -3.19 115.95 114.64 5chy h TRP 58 Ca -0.42 -0.02 -0.71 0.00 1.13 0.00 0.00 58.89 58.87 5chy h TRP 58 Cb 1.21 -0.38 -0.29 0.00 -0.51 0.00 0.00 29.16 29.20 5chy h TRP 58 CO 0.66 0.81 -0.53 1.21 -1.03 0.00 0.00 178.44 179.56 5chy s ASN 59 N -6.17 5.47 0.04 2.65 2.47 -1.26 -1.55 114.94 116.59 5chy s ASN 59 Ca -0.13 -1.45 0.02 0.00 0.42 0.00 0.00 52.86 51.72 5chy s ASN 59 Cb 0.16 -1.92 -0.02 0.00 -1.45 0.00 0.00 41.25 38.01 5chy s ASN 59 CO 0.82 -0.47 -0.06 -0.04 -3.72 0.00 0.00 177.10 173.63 5chy s MET 60 N 1.38 0.47 0.77 0.43 -1.94 -1.26 -4.80 119.30 114.35 5chy s MET 60 Ca 0.02 -0.74 -0.12 0.00 -1.71 0.00 0.00 55.69 53.15 5chy s MET 60 Cb -0.22 -0.17 0.05 0.00 2.01 0.00 0.00 34.83 36.51 5chy s MET 60 CO 0.01 0.02 1.13 -1.25 -0.01 0.00 0.00 175.02 174.92 5chy s PRO 61 N -1.63 2.31 0.00 2.03 0.04 -1.26 -3.77 135.00 132.72 5chy s PRO 61 Ca -0.11 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.28 5chy s PRO 61 Cb -0.09 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.48 5chy s PRO 61 CO -0.00 -1.40 0.00 0.09 0.04 0.00 0.00 177.00 175.73 5chy n ASN 62 N -3.23 0.00 -3.42 6.66 3.02 -1.26 -4.41 115.26 112.61 5chy n ASN 62 Ca 0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.51 5chy n ASN 62 Cb 0.58 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.66 5chy n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 5chy s MET 63 N 0.00 0.30 0.80 3.52 1.75 -1.26 -4.93 119.30 119.48 5chy s MET 63 Ca 0.00 0.52 -0.11 0.00 -1.25 0.00 0.00 55.69 54.84 5chy s MET 63 Cb 0.00 -0.55 0.09 0.00 2.84 0.00 0.00 34.83 37.21 5chy s MET 63 CO 0.00 -0.59 1.16 0.16 -0.65 0.00 0.00 175.02 175.10 5chy s ASP 64 N 2.50 4.45 0.15 1.11 1.47 -1.25 -0.85 116.67 124.25 5chy s ASP 64 Ca 0.10 0.68 -0.22 0.00 1.18 0.00 0.00 52.55 54.29 5chy s ASP 64 Cb -0.15 -1.16 0.04 0.00 -0.34 0.00 0.00 42.92 41.31 5chy s ASP 64 CO -0.14 -1.92 1.63 1.23 0.68 0.00 0.00 175.17 176.65 5chy h GLY 65 N -1.02 -0.10 1.06 2.12 0.00 -1.26 -1.04 103.07 102.82 5chy h GLY 65 Ca -0.46 0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 5chy h GLY 65 CO 0.63 -0.20 0.27 -2.00 0.00 0.00 0.00 176.54 175.24 5chy h LEU 66 N -0.22 1.10 -0.96 3.11 5.85 -1.86 -1.39 115.31 120.94 5chy h LEU 66 Ca 0.15 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 5chy h LEU 66 Cb 0.45 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 5chy h LEU 66 CO -0.40 1.00 -0.36 -0.08 -0.34 0.00 0.00 178.44 178.26 5chy h GLU 67 N 1.14 0.00 -0.12 1.25 4.81 -1.85 -0.33 114.58 119.48 5chy h GLU 67 Ca 0.25 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 5chy h GLU 67 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 5chy h GLU 67 CO -0.01 0.36 -0.36 1.25 -0.73 0.00 0.00 179.01 179.51 5chy h LEU 68 N 0.00 0.53 -0.43 1.64 5.85 -0.88 -2.67 115.31 119.36 5chy h LEU 68 Ca -0.00 -0.60 -0.02 0.00 0.84 0.00 0.00 57.88 58.10 5chy h LEU 68 Cb 0.87 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 5chy h LEU 68 CO 0.05 1.04 0.17 0.25 -0.34 0.00 0.00 178.44 179.60 5chy h LEU 69 N 0.06 0.59 -1.58 2.25 5.85 -1.07 0.08 115.31 121.49 5chy h LEU 69 Ca -0.01 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 5chy h LEU 69 Cb 0.98 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 5chy h LEU 69 CO 0.08 0.60 -0.22 0.11 -0.34 0.00 0.00 178.44 178.66 5chy h LYS 70 N 0.55 0.00 -0.07 1.25 1.57 -1.11 -0.96 116.57 117.80 5chy h LYS 70 Ca 0.14 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.69 5chy h LYS 70 Cb 0.19 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.52 5chy h LYS 70 CO -0.01 0.22 -0.86 1.15 -0.57 0.00 0.00 179.45 179.38 5chy h THR 71 N 0.00 1.29 -0.39 -0.16 2.02 -1.01 -2.69 112.91 111.97 5chy h THR 71 Ca -0.00 -2.08 -0.02 0.00 0.77 0.00 0.00 66.41 65.07 5chy h THR 71 Cb 0.41 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 5chy h THR 71 CO 0.03 0.65 0.16 0.40 0.37 0.00 0.00 175.52 177.13 5chy h ILE 72 N 0.41 1.19 -0.48 3.11 2.04 -0.62 -2.37 117.51 120.78 5chy h ILE 72 Ca -0.09 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 5chy h ILE 72 Cb 1.51 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 5chy h ILE 72 CO 0.17 0.21 0.18 0.03 0.00 0.00 0.00 178.15 178.74 5chy h ARG 73 N 0.48 0.70 -0.00 2.37 2.47 -1.23 -1.67 114.38 117.50 5chy h ARG 73 Ca 0.13 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 5chy h ARG 73 Cb 0.17 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 5chy h ARG 73 CO -0.01 0.58 -0.08 0.00 0.56 0.00 0.00 179.97 181.03 5chy n ALA 74 N -2.46 2.56 -2.64 0.04 0.00 -1.02 -4.48 120.51 112.51 5chy n ALA 74 Ca 0.04 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 5chy n ALA 74 Cb 0.16 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 5chy n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 5chy s ASP 75 N -2.86 6.82 0.08 0.00 -1.08 -0.68 -4.94 116.67 114.00 5chy s ASP 75 Ca 0.18 0.99 -0.16 0.00 -0.52 0.00 0.00 52.55 53.04 5chy s ASP 75 Cb 0.19 -2.44 -0.04 0.00 -1.46 0.00 0.00 42.92 39.17 5chy s ASP 75 CO 0.53 -0.55 1.27 1.23 0.52 0.00 0.00 175.17 178.18 5chy h GLY 76 N 9.26 -1.72 2.00 2.66 0.00 -1.86 0.70 103.07 114.11 5chy h GLY 76 Ca -0.23 0.94 -0.02 0.00 0.00 0.00 0.00 47.33 48.02 5chy h GLY 76 CO 0.88 -0.48 -0.09 0.00 0.00 0.00 0.00 176.54 176.85 5chy h ALA 77 N -0.34 1.40 0.00 3.60 0.00 -1.92 -3.23 119.26 118.77 5chy h ALA 77 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 5chy h ALA 77 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 5chy h ALA 77 CO -0.43 0.11 0.00 -1.33 0.00 0.00 0.00 179.25 177.60 5chy n MET 78 N -3.78 0.64 0.13 0.00 2.81 -1.05 -4.78 117.12 111.09 5chy n MET 78 Ca -0.02 -0.81 0.14 0.00 -1.81 0.00 0.00 57.70 55.20 5chy n MET 78 Cb 0.19 -0.90 0.37 0.00 -0.71 0.00 0.00 33.22 32.18 5chy n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 5chy h SER 79 N 0.00 0.00 -0.32 7.83 4.64 0.94 -0.60 113.55 126.04 5chy h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 5chy h SER 79 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 5chy h SER 79 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 5chy n ALA 80 N -1.91 2.26 -1.84 5.18 0.00 -1.26 -4.47 120.51 118.47 5chy n ALA 80 Ca 0.08 -1.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.05 5chy n ALA 80 Cb 1.01 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 5chy n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 5chy s LEU 81 N -1.01 4.37 0.51 0.00 2.96 -0.23 -4.95 118.68 120.33 5chy s LEU 81 Ca 0.24 2.69 -0.23 0.00 -0.22 0.00 0.00 54.13 56.62 5chy s LEU 81 Cb 0.13 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.18 5chy s LEU 81 CO 0.18 -0.91 1.33 -2.84 -1.32 0.00 0.00 176.35 172.79 5chy s PRO 82 N 1.67 3.35 -0.14 0.98 0.02 -1.26 -4.87 135.00 134.75 5chy s PRO 82 Ca 0.74 2.17 -0.03 0.00 0.02 0.00 0.00 61.00 63.90 5chy s PRO 82 Cb -0.45 -2.35 0.05 0.00 0.02 0.00 0.00 34.50 31.77 5chy s PRO 82 CO 0.32 -1.01 0.06 0.08 -0.33 0.00 0.00 177.00 176.13 5chy s VAL 83 N -1.33 0.11 -0.32 3.83 1.01 -1.25 -0.88 120.40 121.58 5chy s VAL 83 Ca 0.68 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 5chy s VAL 83 Cb -0.39 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 5chy s VAL 83 CO 0.46 -0.12 0.22 -0.22 0.00 0.00 0.00 175.10 175.45 5chy s LEU 84 N 2.06 4.32 0.04 3.92 2.96 -0.24 0.22 118.68 131.96 5chy s LEU 84 Ca 0.02 -0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 53.46 5chy s LEU 84 Cb -0.15 -2.13 -0.06 0.00 0.50 0.00 0.00 46.19 44.35 5chy s LEU 84 CO -0.07 -0.16 0.62 -0.32 -1.32 0.00 0.00 176.35 175.10 5chy s MET 85 N 1.74 4.33 -0.13 1.98 -2.45 0.12 -1.04 119.30 123.84 5chy s MET 85 Ca 0.06 0.81 -0.01 0.00 -1.25 0.00 0.00 55.69 55.30 5chy s MET 85 Cb -0.17 -3.31 -0.02 0.00 1.25 0.00 0.00 34.83 32.58 5chy s MET 85 CO 0.11 0.45 -0.10 0.08 1.05 0.00 0.00 175.02 176.60 5chy s VAL 86 N -0.49 3.30 0.06 10.11 1.01 0.35 -0.47 120.40 134.28 5chy s VAL 86 Ca 0.32 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 5chy s VAL 86 Cb -0.19 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 5chy s VAL 86 CO 0.19 0.52 0.06 0.28 0.00 0.00 0.00 175.10 176.15 5chy s THR 87 N 0.30 0.19 -1.27 3.92 -1.32 -1.05 0.15 115.64 116.57 5chy s THR 87 Ca -0.08 -1.54 0.22 0.00 -1.21 0.00 0.00 61.69 59.07 5chy s THR 87 Cb -0.15 -1.43 -0.16 0.00 -1.51 0.00 0.00 72.50 69.24 5chy s THR 87 CO 0.05 -0.85 0.97 0.00 -2.21 0.00 0.00 174.62 172.57 5chy n ALA 88 N 0.06 4.42 -3.52 11.08 0.00 -1.26 0.93 120.51 132.22 5chy n ALA 88 Ca -0.15 -0.60 -0.04 0.00 0.00 0.00 0.00 53.44 52.65 5chy n ALA 88 Cb 0.61 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 5chy n ALA 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 5chy s GLU 89 N -2.87 0.44 0.28 0.00 2.12 -1.26 -4.72 118.70 112.69 5chy s GLU 89 Ca 0.11 1.08 -0.30 0.00 0.36 0.00 0.00 54.97 56.21 5chy s GLU 89 Cb 0.17 0.40 -0.12 0.00 0.26 0.00 0.00 34.13 34.84 5chy s GLU 89 CO 0.79 -0.36 1.63 0.00 -0.54 0.00 0.00 175.26 176.78 5chy n ALA 90 N 5.41 2.64 -3.73 6.30 0.00 -1.26 -4.99 120.51 124.88 5chy n ALA 90 Ca -0.08 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.58 5chy n ALA 90 Cb 0.50 -2.48 -0.16 0.00 0.00 0.00 0.00 19.45 17.31 5chy n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 5chy s LYS 91 N -0.20 0.00 0.25 0.00 1.02 -1.26 -5.07 119.74 114.49 5chy s LYS 91 Ca 0.66 0.32 -0.03 0.00 0.02 0.00 0.00 55.97 56.94 5chy s LYS 91 Cb -0.49 -0.27 0.43 0.00 -0.52 0.00 0.00 37.83 36.98 5chy s LYS 91 CO 0.45 -0.21 1.81 -0.22 -0.92 0.00 0.00 175.35 176.26 5chy h LYS 92 N 7.61 0.78 -0.30 1.68 3.64 -1.99 -1.73 116.57 126.27 5chy h LYS 92 Ca -0.35 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.92 5chy h LYS 92 Cb 1.13 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 5chy h LYS 92 CO 0.37 0.52 -0.06 0.93 -2.27 0.00 0.00 179.45 178.93 5chy h GLU 93 N 0.81 0.47 -0.07 1.90 3.07 -1.98 0.84 114.58 119.61 5chy h GLU 93 Ca 0.42 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 59.14 5chy h GLU 93 Cb 0.41 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 5chy h GLU 93 CO -0.26 0.54 -0.07 -0.91 -1.40 0.00 0.00 179.01 176.91 5chy h ASN 94 N 0.45 0.19 -0.91 1.42 2.35 -1.80 -1.15 115.58 116.13 5chy h ASN 94 Ca 0.09 -0.49 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 5chy h ASN 94 Cb 0.39 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 5chy h ASN 94 CO 0.02 0.64 0.55 0.40 -1.65 0.00 0.00 177.43 177.38 5chy h ILE 95 N -0.25 1.25 -0.21 2.81 2.04 -1.18 0.15 117.51 122.11 5chy h ILE 95 Ca 0.01 -0.55 -0.15 0.00 1.00 0.00 0.00 64.86 65.17 5chy h ILE 95 Cb 0.58 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 5chy h ILE 95 CO 0.02 0.26 -0.47 0.40 0.00 0.00 0.00 178.15 178.36 5chy h ILE 96 N 1.25 1.31 0.47 -0.67 2.04 -0.72 -1.30 117.51 119.89 5chy h ILE 96 Ca 0.33 -1.69 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 5chy h ILE 96 Cb -0.05 1.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 5chy h ILE 96 CO -0.06 0.53 -0.26 0.00 0.00 0.00 0.00 178.15 178.36 5chy h ALA 97 N 0.60 -0.68 -0.76 1.87 0.00 -0.85 -2.28 119.26 117.16 5chy h ALA 97 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 5chy h ALA 97 Cb 1.08 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 5chy h ALA 97 CO 0.10 -0.89 0.50 0.00 0.00 0.00 0.00 179.25 178.96 5chy h ALA 98 N -0.17 1.46 -0.28 0.00 0.00 -1.05 -2.06 119.26 117.15 5chy h ALA 98 Ca -0.06 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.83 5chy h ALA 98 Cb 0.55 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 5chy h ALA 98 CO 0.07 0.51 0.09 0.00 0.00 0.00 0.00 179.25 179.92 5chy h ALA 99 N 1.52 0.31 -0.02 0.00 0.00 -0.82 -0.19 119.26 120.07 5chy h ALA 99 Ca 0.28 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 5chy h ALA 99 Cb -0.12 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 5chy h ALA 99 CO -0.06 -0.32 -0.57 1.96 0.00 0.00 0.00 179.25 180.26 5chy h GLN 100 N 0.21 0.05 0.00 0.00 4.20 -1.20 -2.86 115.11 115.50 5chy h GLN 100 Ca 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.80 5chy h GLN 100 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 5chy h GLN 100 CO -0.14 0.61 -0.04 0.00 -0.67 0.00 0.00 178.83 178.59 5chy n ALA 101 N -2.44 2.33 -0.22 3.87 0.00 -0.79 -4.96 120.51 118.28 5chy n ALA 101 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 5chy n ALA 101 Cb 0.58 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.58 5chy n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5chy n GLY 102 N 1.31 1.62 3.75 0.00 0.00 -0.58 -4.61 105.19 106.68 5chy n GLY 102 Ca 0.05 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 5chy n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5chy n ALA 103 N -1.12 2.14 0.16 4.61 0.00 -0.19 -4.83 120.51 121.28 5chy n ALA 103 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 53.44 53.83 5chy n ALA 103 Cb 0.05 -2.39 0.14 0.00 0.00 0.00 0.00 19.45 17.26 5chy n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 5chy h SER 104 N 3.13 0.00 0.00 0.00 0.02 0.24 -3.45 113.55 113.49 5chy h SER 104 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 5chy h SER 104 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 5chy h SER 104 CO 0.66 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 177.42 5chy n GLY 105 N 0.86 -1.37 3.01 -3.77 0.00 -1.13 -4.87 105.19 97.93 5chy n GLY 105 Ca 0.01 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 5chy n GLY 105 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 5chy s TRP 106 N -2.32 0.50 -0.01 1.61 0.52 -1.26 0.11 118.94 118.10 5chy s TRP 106 Ca 0.00 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.73 5chy s TRP 106 Cb 0.00 -0.31 0.01 0.00 -1.15 0.00 0.00 33.47 32.02 5chy s TRP 106 CO 0.00 -0.09 -0.02 0.54 0.02 0.00 0.00 176.95 177.41 5chy s VAL 107 N -1.07 0.19 -0.25 4.03 0.11 0.38 -4.92 120.40 118.88 5chy s VAL 107 Ca -0.08 -0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 58.82 5chy s VAL 107 Cb -0.08 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 5chy s VAL 107 CO -0.00 0.09 0.16 -0.69 -3.33 0.00 0.00 175.10 171.32 5chy s VAL 108 N 0.29 5.27 0.34 2.04 1.01 -1.26 -2.52 120.40 125.56 5chy s VAL 108 Ca -0.03 0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 5chy s VAL 108 Cb -0.05 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 5chy s VAL 108 CO -0.01 0.32 0.63 -1.59 0.00 0.00 0.00 175.10 174.45 5chy s LYS 109 N 1.24 3.65 0.63 2.72 -2.85 0.27 -4.16 119.74 121.24 5chy s LYS 109 Ca 0.07 0.11 -0.15 0.00 -1.00 0.00 0.00 55.97 55.01 5chy s LYS 109 Cb -0.14 -2.56 -0.02 0.00 -2.06 0.00 0.00 37.83 33.05 5chy s LYS 109 CO 0.06 0.11 1.07 -2.14 0.10 0.00 0.00 175.35 174.55 5chy s PRO 110 N -3.77 3.11 0.07 1.78 0.02 -1.26 -4.60 135.00 130.35 5chy s PRO 110 Ca 0.46 1.21 -0.06 0.00 0.02 0.00 0.00 61.00 62.63 5chy s PRO 110 Cb -0.10 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.40 5chy s PRO 110 CO 0.32 -0.98 0.12 -0.59 -0.33 0.00 0.00 177.00 175.54 5chy s PHE 111 N -2.52 0.26 0.52 6.54 -0.12 -1.26 -5.17 117.98 116.24 5chy s PHE 111 Ca 0.64 -0.71 0.08 0.00 -0.05 0.00 0.00 56.93 56.88 5chy s PHE 111 Cb -0.17 -0.16 0.05 0.00 -0.63 0.00 0.00 43.02 42.11 5chy s PHE 111 CO 0.41 -0.48 0.71 0.95 -0.05 0.00 0.00 175.22 176.76 5chy s THR 112 N -3.73 2.54 0.17 -4.49 -4.23 -1.26 -4.98 115.64 99.66 5chy s THR 112 Ca 0.04 -0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 59.56 5chy s THR 112 Cb 0.05 -2.58 -0.09 0.00 1.34 0.00 0.00 72.50 71.22 5chy s THR 112 CO -0.10 0.00 1.45 0.00 -0.54 0.00 0.00 174.62 175.43 5chy h ALA 113 N 0.33 0.61 -0.49 3.99 0.00 -1.98 -1.51 119.26 120.21 5chy h ALA 113 Ca -0.35 -0.57 0.02 0.00 0.00 0.00 0.00 54.91 54.01 5chy h ALA 113 Cb 1.28 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 5chy h ALA 113 CO 0.43 0.72 0.29 0.00 0.00 0.00 0.00 179.25 180.69 5chy h ALA 114 N 0.91 0.63 -0.15 0.00 0.00 -1.96 0.53 119.26 119.22 5chy h ALA 114 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 5chy h ALA 114 Cb 1.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 5chy h ALA 114 CO 0.12 -0.02 0.02 1.15 0.00 0.00 0.00 179.25 180.52 5chy h THR 115 N 0.58 1.23 -0.30 0.00 2.02 -1.94 -1.23 112.91 113.28 5chy h THR 115 Ca 0.20 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 5chy h THR 115 Cb 0.03 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 5chy h THR 115 CO -0.10 0.22 0.09 0.25 0.37 0.00 0.00 175.52 176.35 5chy h LEU 116 N 0.02 0.38 -0.15 2.58 5.85 -0.84 -1.49 115.31 121.67 5chy h LEU 116 Ca 0.04 -0.04 -0.23 0.00 0.84 0.00 0.00 57.88 58.50 5chy h LEU 116 Cb 0.33 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.27 5chy h LEU 116 CO 0.00 0.38 -0.80 -0.08 -0.34 0.00 0.00 178.44 177.61 5chy h GLU 117 N 0.42 0.80 -0.78 1.25 4.81 0.31 -2.49 114.58 118.91 5chy h GLU 117 Ca 0.10 -0.66 -0.04 0.00 -0.13 0.00 0.00 59.36 58.63 5chy h GLU 117 Cb 0.14 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 5chy h GLU 117 CO -0.01 1.27 0.32 1.49 -0.73 0.00 0.00 179.01 181.35 5chy h GLU 118 N 0.54 1.15 0.23 1.92 4.81 -0.77 -0.90 114.58 121.56 5chy h GLU 118 Ca -0.06 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 5chy h GLU 118 Cb 1.43 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.62 5chy h GLU 118 CO 0.16 0.93 -0.11 0.87 -0.73 0.00 0.00 179.01 180.13 5chy h LYS 119 N 1.13 -0.29 -0.01 1.92 1.79 -1.22 -0.96 116.57 118.92 5chy h LYS 119 Ca 0.26 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.76 5chy h LYS 119 Cb 0.20 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 5chy h LYS 119 CO -0.02 -0.18 -0.05 -0.07 -1.08 0.00 0.00 179.45 178.05 5chy h LEU 120 N -0.32 -0.13 -0.31 2.94 3.38 -1.31 -1.98 115.31 117.58 5chy h LEU 120 Ca -0.03 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.02 5chy h LEU 120 Cb 0.25 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 5chy h LEU 120 CO 0.05 -0.07 -0.02 0.78 0.09 0.00 0.00 178.44 179.27 5chy h ASN 121 N -0.08 -0.17 -0.93 -0.43 2.35 -1.05 0.36 115.58 115.64 5chy h ASN 121 Ca 0.02 0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 5chy h ASN 121 Cb 0.11 0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 5chy h ASN 121 CO -0.06 -0.05 0.62 0.50 -1.65 0.00 0.00 177.43 176.79 5chy h LYS 122 N 0.06 1.22 0.18 0.81 3.64 -0.98 -1.51 116.57 119.99 5chy h LYS 122 Ca 0.15 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 5chy h LYS 122 Cb 0.21 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 5chy h LYS 122 CO -0.27 0.81 -0.09 0.82 -2.27 0.00 0.00 179.45 178.45 5chy h ILE 123 N 1.25 0.93 -0.95 2.00 2.04 -0.75 -1.42 117.51 120.61 5chy h ILE 123 Ca 0.34 -0.84 0.25 0.00 1.00 0.00 0.00 64.86 65.61 5chy h ILE 123 Cb -0.13 1.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 5chy h ILE 123 CO -0.08 0.18 0.65 -0.26 0.00 0.00 0.00 178.15 178.64 5chy h PHE 124 N -0.67 0.34 0.18 1.37 0.04 -0.14 -2.47 116.94 115.60 5chy h PHE 124 Ca -0.02 0.01 -0.25 0.00 2.80 0.00 0.00 57.97 60.51 5chy h PHE 124 Cb 0.48 -0.10 0.02 0.00 2.20 0.00 0.00 35.95 38.56 5chy h PHE 124 CO 0.05 0.07 -1.10 1.49 -0.60 0.00 0.00 178.31 178.22 5chy h GLU 125 N 0.24 0.37 0.00 1.51 4.81 -1.08 1.17 114.58 121.60 5chy h GLU 125 Ca 0.49 -0.64 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 5chy h GLU 125 Cb 1.50 0.24 0.00 0.00 0.63 0.00 0.00 28.75 31.12 5chy h GLU 125 CO -0.13 1.31 0.00 1.17 -0.73 0.00 0.00 179.01 180.62 5chy n LYS 126 N -3.97 0.00 -0.06 1.92 4.81 -0.55 -0.82 118.16 119.48 5chy n LYS 126 Ca -0.16 0.27 0.10 0.00 -0.87 0.00 0.00 58.31 57.65 5chy n LYS 126 Cb 0.93 -1.50 0.13 0.00 0.02 0.00 0.00 35.03 34.60 5chy n LYS 126 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 5chy n LEU 127 N -1.50 2.94 -2.09 3.14 4.32 -1.01 -4.91 117.00 117.89 5chy n LEU 127 Ca 0.03 -1.19 -0.19 0.00 -0.02 0.00 0.00 56.01 54.64 5chy n LEU 127 Cb 0.16 -0.08 -0.04 0.00 -1.62 0.00 0.00 43.42 41.84 5chy n LEU 127 CO 0.13 0.56 -0.22 0.61 -1.22 0.00 0.00 177.39 177.24 5chy n GLY 128 N 1.22 0.37 0.85 -0.72 0.00 -0.01 -5.06 105.19 101.85 5chy n GLY 128 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 5chy n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35