#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6chy s ASP 3 N 0.00 6.94 0.00 0.00 2.15 -1.26 -4.90 116.67 119.60 6chy s ASP 3 Ca 0.00 2.08 0.23 0.00 0.43 0.00 0.00 52.55 55.29 6chy s ASP 3 Cb 0.00 -2.57 1.27 0.00 -0.30 0.00 0.00 42.92 41.32 6chy s ASP 3 CO 0.00 -0.61 1.75 0.29 -0.17 0.00 0.00 175.17 176.43 6chy n LYS 4 N 4.65 0.53 -0.13 4.34 4.76 -1.26 -2.79 118.16 128.27 6chy n LYS 4 Ca 0.11 0.04 0.08 0.00 -2.87 0.00 0.00 58.31 55.67 6chy n LYS 4 Cb 0.45 -1.50 0.11 0.00 -1.84 0.00 0.00 35.03 32.24 6chy n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 6chy n GLU 5 N -1.14 1.17 -2.16 1.97 1.02 -1.26 -3.95 120.64 116.29 6chy n GLU 5 Ca 0.14 -2.24 -0.42 0.00 -0.02 0.00 0.00 57.16 54.63 6chy n GLU 5 Cb 0.13 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 6chy n GLU 5 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 6chy s LEU 6 N -2.27 4.38 -0.13 -4.62 2.96 -1.12 -4.85 118.68 113.02 6chy s LEU 6 Ca 0.25 2.35 -0.25 0.00 -0.22 0.00 0.00 54.13 56.26 6chy s LEU 6 Cb 0.21 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 6chy s LEU 6 CO 0.02 -0.65 0.78 -0.75 -1.32 0.00 0.00 176.35 174.44 6chy s LYS 7 N 0.95 4.34 -0.20 1.98 2.20 -1.26 -4.44 119.74 123.31 6chy s LYS 7 Ca 0.64 0.96 -0.05 0.00 -0.36 0.00 0.00 55.97 57.15 6chy s LYS 7 Cb -0.37 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 6chy s LYS 7 CO 0.31 -0.19 0.01 -0.06 -0.36 0.00 0.00 175.35 175.06 6chy s PHE 8 N 1.69 3.06 -0.34 4.03 0.08 -0.62 -0.27 117.98 125.61 6chy s PHE 8 Ca 0.38 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.93 6chy s PHE 8 Cb -0.17 -2.09 0.01 0.00 -0.57 0.00 0.00 43.02 40.20 6chy s PHE 8 CO 0.15 -0.21 0.17 -1.17 -0.10 0.00 0.00 175.22 174.06 6chy s LEU 9 N 0.98 4.41 -0.75 -0.37 2.96 -0.42 -1.51 118.68 123.97 6chy s LEU 9 Ca 0.02 -0.79 -0.19 0.00 -0.22 0.00 0.00 54.13 52.95 6chy s LEU 9 Cb -0.14 -2.00 0.12 0.00 0.50 0.00 0.00 46.19 44.67 6chy s LEU 9 CO 0.02 -0.30 0.90 -0.69 -1.32 0.00 0.00 176.35 174.97 6chy s VAL 10 N 1.57 4.81 -0.43 1.68 1.01 0.25 0.76 120.40 130.04 6chy s VAL 10 Ca 0.03 -1.30 -0.22 0.00 0.00 0.00 0.00 61.98 60.49 6chy s VAL 10 Cb -0.18 -4.62 0.02 0.00 0.00 0.00 0.00 36.38 31.60 6chy s VAL 10 CO 0.06 -1.30 0.74 -0.69 0.00 0.00 0.00 175.10 173.91 6chy s VAL 11 N 2.57 4.71 -0.29 2.92 1.01 0.16 -0.26 120.40 131.22 6chy s VAL 11 Ca 0.22 0.42 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 6chy s VAL 11 Cb -0.14 -4.27 0.15 0.00 0.00 0.00 0.00 36.38 32.12 6chy s VAL 11 CO -0.01 -0.64 0.96 -0.62 0.00 0.00 0.00 175.10 174.80 6chy s ASP 12 N 2.06 -0.56 0.42 3.32 -1.08 -0.43 -0.55 116.67 119.85 6chy s ASP 12 Ca 0.28 0.85 0.30 0.00 -0.52 0.00 0.00 52.55 53.46 6chy s ASP 12 Cb -0.13 1.38 1.29 0.00 -1.46 0.00 0.00 42.92 44.00 6chy s ASP 12 CO 0.21 -0.13 1.88 -2.24 0.52 0.00 0.00 175.17 175.41 6chy h ASP 13 N 6.56 0.00 -3.64 -0.34 2.03 -1.74 -3.41 116.42 115.88 6chy h ASP 13 Ca -0.24 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.37 6chy h ASP 13 Cb 1.17 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.44 6chy h ASP 13 CO 0.16 0.00 -0.55 0.12 -1.03 0.00 0.00 179.24 177.94 6chy s PHE 14 N -3.56 3.19 0.24 4.15 5.36 -1.26 -4.98 117.98 121.13 6chy s PHE 14 Ca 0.02 -0.68 -0.11 0.00 -0.96 0.00 0.00 56.93 55.20 6chy s PHE 14 Cb 0.09 -2.37 0.34 0.00 -0.34 0.00 0.00 43.02 40.74 6chy s PHE 14 CO 0.44 -0.51 1.60 0.66 -1.46 0.00 0.00 175.22 175.96 6chy h SER 15 N 8.37 -0.70 -0.80 6.13 4.64 -1.99 0.17 113.55 129.37 6chy h SER 15 Ca -0.30 0.23 0.05 0.00 -0.47 0.00 0.00 61.79 61.30 6chy h SER 15 Cb 1.13 0.48 -0.05 0.00 -0.31 0.00 0.00 62.40 63.65 6chy h SER 15 CO 0.63 -0.25 0.52 0.74 -0.87 0.00 0.00 176.83 177.59 6chy h THR 16 N 0.01 1.07 -0.10 2.95 2.02 -1.95 -2.49 112.91 114.43 6chy h THR 16 Ca 0.38 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 6chy h THR 16 Cb 0.59 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 6chy h THR 16 CO -0.80 0.17 -0.29 -0.03 0.37 0.00 0.00 175.52 174.94 6chy h MET 17 N 0.91 0.37 -0.32 6.66 -1.53 -1.12 -2.93 114.93 116.97 6chy h MET 17 Ca 0.33 -0.26 0.09 0.00 -3.44 0.00 0.00 59.70 56.42 6chy h MET 17 Cb 0.16 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.24 6chy h MET 17 CO -0.11 0.88 0.23 0.00 0.14 0.00 0.00 176.91 178.05 6chy h ARG 18 N -0.09 0.02 -0.08 0.39 3.08 -0.76 -2.46 114.38 114.48 6chy h ARG 18 Ca -0.01 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 6chy h ARG 18 Cb 0.91 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 6chy h ARG 18 CO 0.06 0.01 -0.29 -0.09 -1.07 0.00 0.00 179.97 178.59 6chy h ARG 19 N 0.02 0.33 0.98 0.04 1.12 -1.44 -3.16 114.38 112.28 6chy h ARG 19 Ca 0.15 -0.26 -0.05 0.00 -1.11 0.00 0.00 59.98 58.72 6chy h ARG 19 Cb 0.59 0.05 0.01 0.00 -0.01 0.00 0.00 29.97 30.60 6chy h ARG 19 CO -0.00 0.89 -0.47 0.82 -3.11 0.00 0.00 179.97 178.09 6chy h ILE 20 N -0.15 0.04 -0.56 1.20 2.04 -1.29 -2.29 117.51 116.51 6chy h ILE 20 Ca -0.01 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 6chy h ILE 20 Cb 0.93 0.04 -0.10 0.00 -0.74 0.00 0.00 36.82 36.95 6chy h ILE 20 CO 0.06 0.00 -0.49 0.58 0.00 0.00 0.00 178.15 178.30 6chy h VAL 21 N -1.32 0.05 -0.89 1.67 2.07 -1.57 0.27 116.25 116.53 6chy h VAL 21 Ca -0.13 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.57 6chy h VAL 21 Cb 1.01 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 6chy h VAL 21 CO 0.22 0.00 0.58 -0.09 0.02 0.00 0.00 177.57 178.31 6chy h ARG 22 N -0.27 0.47 -0.12 1.57 2.43 -1.57 0.59 114.38 117.49 6chy h ARG 22 Ca 0.14 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.11 6chy h ARG 22 Cb 0.56 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 6chy h ARG 22 CO -0.68 0.31 -0.64 -0.91 -1.51 0.00 0.00 179.97 176.55 6chy h ASN 23 N 0.48 0.51 0.02 -3.80 2.35 -0.37 0.27 115.58 115.04 6chy h ASN 23 Ca 0.46 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 6chy h ASN 23 Cb 1.04 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.26 6chy h ASN 23 CO -0.19 1.02 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.53 6chy h LEU 24 N 0.32 -0.02 -0.07 1.61 3.38 0.31 0.11 115.31 120.95 6chy h LEU 24 Ca -0.01 -0.63 0.04 0.00 0.09 0.00 0.00 57.88 57.37 6chy h LEU 24 Cb 1.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 6chy h LEU 24 CO 0.11 0.63 -0.30 -0.07 0.09 0.00 0.00 178.44 178.90 6chy h LEU 25 N -0.68 -0.93 -0.62 1.67 3.38 -0.01 -1.14 115.31 116.98 6chy h LEU 25 Ca -0.00 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.22 6chy h LEU 25 Cb 0.65 0.39 -0.12 0.00 0.09 0.00 0.00 40.66 41.67 6chy h LEU 25 CO 0.00 -0.36 -0.16 0.50 0.09 0.00 0.00 178.44 178.52 6chy h LYS 26 N -0.41 -0.00 0.00 1.13 3.64 -0.39 -0.44 116.57 120.10 6chy h LYS 26 Ca 0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 6chy h LYS 26 Cb 0.53 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 6chy h LYS 26 CO -0.30 -0.00 -0.12 0.93 -2.27 0.00 0.00 179.45 177.69 6chy h GLU 27 N -0.00 0.00 -0.65 1.90 5.08 0.47 -2.76 114.58 118.62 6chy h GLU 27 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 6chy h GLU 27 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 6chy h GLU 27 CO -0.64 0.12 0.00 1.28 -1.00 0.00 0.00 179.01 178.76 6chy n LEU 28 N -3.70 4.18 0.00 1.33 4.77 -0.34 -4.91 117.00 118.33 6chy n LEU 28 Ca -0.02 -2.11 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 6chy n LEU 28 Cb 0.23 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 6chy n LEU 28 CO 0.30 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 6chy n GLY 29 N 0.70 0.48 3.31 -0.72 0.00 -1.04 -4.99 105.19 102.92 6chy n GLY 29 Ca 0.20 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 6chy n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 6chy s PHE 30 N -2.03 3.61 -1.13 1.61 0.40 -0.32 -4.87 117.98 115.25 6chy s PHE 30 Ca 0.00 -1.87 0.24 0.00 -0.60 0.00 0.00 56.93 54.70 6chy s PHE 30 Cb 0.00 -3.77 0.32 0.00 0.51 0.00 0.00 43.02 40.08 6chy s PHE 30 CO 0.00 -0.99 1.28 0.09 0.70 0.00 0.00 175.22 176.30 6chy n ASN 31 N 4.28 0.76 -4.01 1.36 5.03 -1.25 -3.06 115.26 118.37 6chy n ASN 31 Ca 0.06 -0.58 -0.43 0.00 0.87 0.00 0.00 54.58 54.50 6chy n ASN 31 Cb 0.45 0.44 0.00 0.00 -1.02 0.00 0.00 39.78 39.65 6chy n ASN 31 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 6chy n ASN 32 N -1.33 5.21 -4.35 6.41 5.15 -1.26 -4.97 115.26 120.11 6chy n ASN 32 Ca 0.06 -3.10 -0.33 0.00 -0.60 0.00 0.00 54.58 50.61 6chy n ASN 32 Cb 0.34 -1.48 -0.14 0.00 -0.53 0.00 0.00 39.78 37.96 6chy n ASN 32 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 6chy s VAL 33 N 0.42 3.05 0.21 3.44 1.01 -1.26 -1.59 120.40 125.67 6chy s VAL 33 Ca 0.40 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.83 6chy s VAL 33 Cb 0.06 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 6chy s VAL 33 CO 0.01 0.51 -0.20 -1.61 0.00 0.00 0.00 175.10 173.81 6chy s GLU 34 N 0.56 1.46 0.17 2.72 0.41 -0.57 -5.03 118.70 118.42 6chy s GLU 34 Ca -0.08 -1.55 -0.04 0.00 -0.41 0.00 0.00 54.97 52.89 6chy s GLU 34 Cb -0.16 -1.57 -0.03 0.00 -1.78 0.00 0.00 34.13 30.59 6chy s GLU 34 CO 0.03 0.31 0.18 -1.83 -0.49 0.00 0.00 175.26 173.47 6chy s GLU 35 N -3.03 1.14 0.20 1.61 -1.05 -1.26 0.84 118.70 117.15 6chy s GLU 35 Ca 0.22 -1.41 -0.03 0.00 -0.15 0.00 0.00 54.97 53.60 6chy s GLU 35 Cb -0.06 0.31 -0.03 0.00 -0.44 0.00 0.00 34.13 33.91 6chy s GLU 35 CO 0.10 -0.39 0.17 0.00 0.95 0.00 0.00 175.26 176.09 6chy s ALA 36 N -4.06 0.93 -0.57 -0.84 0.00 0.64 -4.80 121.76 113.05 6chy s ALA 36 Ca 0.27 -1.55 0.21 0.00 0.00 0.00 0.00 51.96 50.89 6chy s ALA 36 Cb 0.05 1.29 -0.27 0.00 0.00 0.00 0.00 23.12 24.19 6chy s ALA 36 CO 0.05 -0.62 0.71 0.39 0.00 0.00 0.00 175.76 176.29 6chy n GLU 37 N -0.27 0.36 -1.57 0.00 1.02 -1.26 -1.31 120.64 117.61 6chy n GLU 37 Ca 0.01 -0.08 -0.01 0.00 -0.02 0.00 0.00 57.16 57.05 6chy n GLU 37 Cb 0.65 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 6chy n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 6chy n ASP 38 N -1.81 -0.39 -0.14 1.62 5.68 -1.26 -3.43 116.55 116.82 6chy n ASP 38 Ca 0.01 -1.26 -0.12 0.00 -0.50 0.00 0.00 54.79 52.92 6chy n ASP 38 Cb 0.42 0.64 -0.01 0.00 -1.14 0.00 0.00 41.12 41.04 6chy n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 6chy h GLY 39 N 0.35 1.06 0.84 6.12 0.00 -1.58 -1.86 103.07 108.00 6chy h GLY 39 Ca -0.06 -1.01 -0.04 0.00 0.00 0.00 0.00 47.33 46.22 6chy h GLY 39 CO 0.07 0.92 -0.35 -2.08 0.00 0.00 0.00 176.54 175.10 6chy h VAL 40 N 0.81 0.14 -0.63 4.60 2.07 -1.91 0.03 116.25 121.37 6chy h VAL 40 Ca 0.08 -0.20 0.12 0.00 0.82 0.00 0.00 66.70 67.53 6chy h VAL 40 Cb 0.90 0.18 -0.12 0.00 -1.52 0.00 0.00 31.29 30.73 6chy h VAL 40 CO 0.08 0.01 -0.21 -0.78 0.02 0.00 0.00 177.57 176.70 6chy h ASP 41 N -1.16 -0.75 -0.08 0.57 3.58 -1.96 -2.80 116.42 113.81 6chy h ASP 41 Ca -0.10 0.20 0.04 0.00 0.42 0.00 0.00 57.03 57.59 6chy h ASP 41 Cb 0.78 0.45 -0.05 0.00 1.72 0.00 0.00 39.33 42.23 6chy h ASP 41 CO 0.17 -0.24 -0.25 0.00 -2.88 0.00 0.00 179.24 176.04 6chy h ALA 42 N 1.47 -0.27 -0.76 -0.78 0.00 -1.03 -2.84 119.26 115.05 6chy h ALA 42 Ca 0.29 0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.39 6chy h ALA 42 Cb 0.50 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 6chy h ALA 42 CO -0.67 -0.72 0.24 -0.07 0.00 0.00 0.00 179.25 178.03 6chy h LEU 43 N -0.34 0.14 0.00 0.00 3.38 -0.72 0.77 115.31 118.54 6chy h LEU 43 Ca 0.09 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.19 6chy h LEU 43 Cb 0.47 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.37 6chy h LEU 43 CO -0.28 0.01 -0.52 -0.55 0.09 0.00 0.00 178.44 177.19 6chy h ASN 44 N 0.34 0.00 -0.17 -0.43 -1.07 -1.53 0.13 115.58 112.85 6chy h ASN 44 Ca 0.43 -0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.76 6chy h ASN 44 Cb 0.73 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.97 6chy h ASN 44 CO -0.48 0.00 -0.05 0.11 0.07 0.00 0.00 177.43 177.08 6chy h LYS 45 N 0.00 0.34 -0.30 4.14 1.57 -1.09 -3.18 116.57 118.05 6chy h LYS 45 Ca 0.00 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 6chy h LYS 45 Cb 1.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 6chy h LYS 45 CO 0.00 0.62 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.19 6chy h LEU 46 N 0.04 0.58 -1.74 2.94 3.38 -0.88 -3.22 115.31 116.41 6chy h LEU 46 Ca 0.04 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.81 6chy h LEU 46 Cb 0.49 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.09 6chy h LEU 46 CO 0.02 0.81 0.03 1.56 0.09 0.00 0.00 178.44 180.95 6chy h GLN 47 N 0.51 0.00 -0.00 1.13 1.08 -0.71 -2.57 115.11 114.55 6chy h GLN 47 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 6chy h GLN 47 Cb 0.68 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 6chy h GLN 47 CO 0.05 0.00 -0.19 0.00 -0.95 0.00 0.00 178.83 177.74 6chy n ALA 48 N -1.83 2.87 -0.04 3.87 0.00 -1.22 -5.07 120.51 119.09 6chy n ALA 48 Ca -0.02 -0.25 0.01 0.00 0.00 0.00 0.00 53.44 53.17 6chy n ALA 48 Cb 0.07 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 18.22 6chy n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 6chy n GLY 49 N 1.39 -1.57 0.00 0.00 0.00 -0.97 -4.99 105.19 99.05 6chy n GLY 49 Ca 0.10 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.61 6chy n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6chy n GLY 50 N -1.71 3.44 3.82 -0.02 0.00 -1.26 -4.93 105.19 104.52 6chy n GLY 50 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 6chy n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 6chy s TYR 51 N -2.99 3.38 0.00 1.61 1.51 -1.26 -4.35 117.35 115.25 6chy s TYR 51 Ca 0.00 1.50 0.00 0.00 -1.01 0.00 0.00 57.07 57.56 6chy s TYR 51 Cb 0.00 -2.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.10 6chy s TYR 51 CO 0.00 0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.86 6chy n GLY 52 N -0.37 0.00 3.20 0.71 0.00 0.63 -4.92 105.19 104.44 6chy n GLY 52 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 6chy n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 6chy s PHE 53 N -1.28 -0.05 -0.05 1.61 2.19 -0.15 -3.99 117.98 116.26 6chy s PHE 53 Ca 0.00 -0.04 0.00 0.00 0.33 0.00 0.00 56.93 57.22 6chy s PHE 53 Cb 0.00 0.03 0.02 0.00 -1.31 0.00 0.00 43.02 41.76 6chy s PHE 53 CO 0.00 -0.40 -0.03 0.08 1.83 0.00 0.00 175.22 176.70 6chy s VAL 54 N -1.96 0.47 -0.13 3.12 1.01 -1.17 -1.30 120.40 120.44 6chy s VAL 54 Ca -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 6chy s VAL 54 Cb -0.04 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 6chy s VAL 54 CO -0.00 0.23 -0.13 -0.63 0.00 0.00 0.00 175.10 174.57 6chy s ILE 55 N 1.24 3.09 -0.03 2.22 1.01 0.23 -1.66 121.20 127.30 6chy s ILE 55 Ca -0.06 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.95 6chy s ILE 55 Cb -0.14 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.05 6chy s ILE 55 CO -0.02 0.52 -0.03 -0.55 0.00 0.00 0.00 174.94 174.86 6chy s SER 56 N 0.35 0.65 0.88 3.58 0.15 0.70 0.40 113.70 120.41 6chy s SER 56 Ca -0.11 -0.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.34 6chy s SER 56 Cb -0.16 -0.26 0.12 0.00 -1.71 0.00 0.00 66.02 64.01 6chy s SER 56 CO 0.06 -0.03 1.11 -0.62 1.20 0.00 0.00 173.24 174.96 6chy s ASP 57 N 0.64 3.78 -0.13 5.45 -1.08 0.28 -0.52 116.67 125.09 6chy s ASP 57 Ca -0.07 1.15 -0.09 0.00 -0.52 0.00 0.00 52.55 53.02 6chy s ASP 57 Cb -0.11 -1.81 -0.05 0.00 -1.46 0.00 0.00 42.92 39.49 6chy s ASP 57 CO -0.00 -2.40 -0.00 -0.25 0.52 0.00 0.00 175.17 173.03 6chy h TRP 58 N -1.39 0.00 -3.65 -5.34 7.01 -1.87 -3.18 115.95 107.53 6chy h TRP 58 Ca -0.50 0.00 -0.50 0.00 2.11 0.00 0.00 58.89 60.00 6chy h TRP 58 Cb 1.30 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.34 6chy h TRP 58 CO 0.37 0.24 0.33 -0.80 -2.79 0.00 0.00 178.44 175.78 6chy s ASN 59 N -5.83 7.56 -0.25 2.65 -0.87 -1.26 -0.31 114.94 116.62 6chy s ASN 59 Ca -0.12 1.85 -0.29 0.00 -1.57 0.00 0.00 52.86 52.74 6chy s ASN 59 Cb 0.01 -2.59 0.17 0.00 -0.02 0.00 0.00 41.25 38.83 6chy s ASN 59 CO 0.22 0.09 1.26 -0.04 -2.57 0.00 0.00 177.10 176.06 6chy s MET 60 N -0.75 0.22 0.79 -0.60 -1.94 -1.26 -4.67 119.30 111.08 6chy s MET 60 Ca 0.42 0.09 -0.12 0.00 -1.71 0.00 0.00 55.69 54.37 6chy s MET 60 Cb -0.25 0.10 0.06 0.00 2.01 0.00 0.00 34.83 36.76 6chy s MET 60 CO 0.30 -0.06 1.11 -2.14 -0.01 0.00 0.00 175.02 174.22 6chy s PRO 61 N -0.82 2.17 0.00 2.03 0.02 -1.26 -3.75 135.00 133.39 6chy s PRO 61 Ca 0.06 0.48 0.00 0.00 0.02 0.00 0.00 61.00 61.56 6chy s PRO 61 Cb -0.02 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.56 6chy s PRO 61 CO -0.06 -1.52 0.00 0.09 -0.33 0.00 0.00 177.00 175.17 6chy n ASN 62 N -3.34 0.00 -3.68 2.53 3.02 -1.26 -4.40 115.26 108.14 6chy n ASN 62 Ca 0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.52 6chy n ASN 62 Cb 0.57 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.64 6chy n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 6chy s MET 63 N 0.00 0.35 0.73 3.52 1.75 -1.26 -4.99 119.30 119.39 6chy s MET 63 Ca 0.00 0.90 -0.03 0.00 -1.25 0.00 0.00 55.69 55.31 6chy s MET 63 Cb 0.00 0.13 0.12 0.00 2.84 0.00 0.00 34.83 37.92 6chy s MET 63 CO 0.00 -0.21 1.01 0.16 -0.65 0.00 0.00 175.02 175.33 6chy s ASP 64 N 1.99 4.37 0.08 1.11 1.47 -1.25 -1.75 116.67 122.69 6chy s ASP 64 Ca -0.06 -0.15 -0.35 0.00 1.18 0.00 0.00 52.55 53.17 6chy s ASP 64 Cb -0.10 -0.28 -0.17 0.00 -0.34 0.00 0.00 42.92 42.03 6chy s ASP 64 CO -0.13 -1.85 1.58 1.23 0.68 0.00 0.00 175.17 176.69 6chy h GLY 65 N -0.59 -1.17 0.17 2.12 0.00 -0.64 0.20 103.07 103.16 6chy h GLY 65 Ca -0.39 0.52 0.06 0.00 0.00 0.00 0.00 47.33 47.52 6chy h GLY 65 CO 0.44 -0.38 -0.26 -2.00 0.00 0.00 0.00 176.54 174.34 6chy h LEU 66 N -1.01 -0.81 -0.85 3.11 5.85 -1.83 -0.22 115.31 119.55 6chy h LEU 66 Ca -0.07 0.14 0.18 0.00 0.84 0.00 0.00 57.88 58.97 6chy h LEU 66 Cb 0.85 0.37 -0.11 0.00 0.37 0.00 0.00 40.66 42.14 6chy h LEU 66 CO 0.01 -0.30 0.37 -0.33 -0.34 0.00 0.00 178.44 177.85 6chy h GLU 67 N -0.29 0.44 -0.19 1.25 5.08 -1.88 -0.24 114.58 118.76 6chy h GLU 67 Ca 0.12 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 6chy h GLU 67 Cb 0.47 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 6chy h GLU 67 CO -0.37 0.29 -0.48 1.25 -1.00 0.00 0.00 179.01 178.71 6chy h LEU 68 N 0.45 0.52 -0.19 1.33 5.85 0.10 -2.95 115.31 120.43 6chy h LEU 68 Ca 0.50 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 6chy h LEU 68 Cb 0.85 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 6chy h LEU 68 CO -0.46 0.92 -0.13 0.25 -0.34 0.00 0.00 178.44 178.67 6chy h LEU 69 N 0.39 0.45 -1.01 2.25 5.85 0.14 -1.60 115.31 121.77 6chy h LEU 69 Ca 0.02 -0.44 0.10 0.00 0.84 0.00 0.00 57.88 58.40 6chy h LEU 69 Cb 0.98 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 6chy h LEU 69 CO 0.09 0.79 0.64 0.11 -0.34 0.00 0.00 178.44 179.73 6chy h LYS 70 N 0.11 1.04 -0.21 1.25 1.57 -1.10 -1.65 116.57 117.57 6chy h LYS 70 Ca 0.04 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 6chy h LYS 70 Cb 0.64 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.72 6chy h LYS 70 CO 0.04 0.69 -0.48 1.15 -0.57 0.00 0.00 179.45 180.28 6chy h THR 71 N 1.07 1.31 -0.51 -0.16 2.02 -1.35 -2.85 112.91 112.43 6chy h THR 71 Ca 0.47 -1.70 -0.05 0.00 0.77 0.00 0.00 66.41 65.91 6chy h THR 71 Cb 0.36 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 6chy h THR 71 CO -0.23 0.53 0.13 0.40 0.37 0.00 0.00 175.52 176.72 6chy h ILE 72 N 0.41 1.24 0.00 3.11 2.04 -0.63 -3.16 117.51 120.52 6chy h ILE 72 Ca 0.00 -0.85 -0.12 0.00 1.00 0.00 0.00 64.86 64.90 6chy h ILE 72 Cb 1.09 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 6chy h ILE 72 CO 0.11 0.31 -0.55 0.03 0.00 0.00 0.00 178.15 178.04 6chy h ARG 73 N 0.71 0.00 -0.65 2.37 2.47 -1.39 -2.65 114.38 115.25 6chy h ARG 73 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 6chy h ARG 73 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 6chy h ARG 73 CO 0.00 0.55 0.00 0.00 0.56 0.00 0.00 179.97 181.09 6chy n ALA 74 N -2.39 3.03 -3.45 0.04 0.00 -1.08 -4.66 120.51 112.00 6chy n ALA 74 Ca -0.01 -1.44 -0.34 0.00 0.00 0.00 0.00 53.44 51.65 6chy n ALA 74 Cb 0.59 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 6chy n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 6chy s ASP 75 N -0.86 4.03 0.11 0.00 -1.08 -1.20 -5.05 116.67 112.62 6chy s ASP 75 Ca 0.47 -0.41 -0.28 0.00 -0.52 0.00 0.00 52.55 51.81 6chy s ASP 75 Cb 0.30 -1.66 -0.09 0.00 -1.46 0.00 0.00 42.92 40.01 6chy s ASP 75 CO 0.23 0.05 1.47 1.23 0.52 0.00 0.00 175.17 178.67 6chy h GLY 76 N 7.60 -1.15 0.66 2.66 0.00 -1.88 0.18 103.07 111.14 6chy h GLY 76 Ca -0.37 0.74 -0.07 0.00 0.00 0.00 0.00 47.33 47.63 6chy h GLY 76 CO 0.59 -0.21 -0.21 0.00 0.00 0.00 0.00 176.54 176.71 6chy h ALA 77 N -0.24 0.14 -0.39 3.60 0.00 -1.97 -3.33 119.26 117.08 6chy h ALA 77 Ca 0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 6chy h ALA 77 Cb 0.51 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 6chy h ALA 77 CO -0.51 0.10 0.00 0.00 0.00 0.00 0.00 179.25 178.85 6chy n MET 78 N -4.52 3.65 0.15 0.00 0.00 -1.20 -4.49 117.12 110.72 6chy n MET 78 Ca -0.08 -2.14 0.03 0.00 0.00 0.00 0.00 57.70 55.51 6chy n MET 78 Cb 0.43 -2.02 0.40 0.00 0.00 0.00 0.00 33.22 32.02 6chy n MET 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 6chy h SER 79 N 2.71 0.13 -0.12 3.17 4.64 -0.25 -3.25 113.55 120.58 6chy h SER 79 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 6chy h SER 79 Cb 1.52 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 6chy h SER 79 CO 0.34 0.35 0.00 0.00 -0.87 0.00 0.00 176.83 176.65 6chy n ALA 80 N -2.49 2.45 -1.77 5.18 0.00 -1.26 -4.50 120.51 118.12 6chy n ALA 80 Ca -0.01 -0.76 -0.40 0.00 0.00 0.00 0.00 53.44 52.27 6chy n ALA 80 Cb 0.30 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 6chy n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 6chy s LEU 81 N -1.74 4.25 0.62 0.00 2.96 -1.22 -5.00 118.68 118.55 6chy s LEU 81 Ca 0.29 2.70 -0.19 0.00 -0.22 0.00 0.00 54.13 56.71 6chy s LEU 81 Cb 0.19 -3.85 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 6chy s LEU 81 CO 0.28 -0.82 1.29 -2.84 -1.32 0.00 0.00 176.35 172.94 6chy s PRO 82 N -2.18 2.73 -0.25 0.98 0.02 -1.26 -4.94 135.00 130.11 6chy s PRO 82 Ca 0.56 2.05 -0.03 0.00 0.02 0.00 0.00 61.00 63.60 6chy s PRO 82 Cb -0.39 -1.93 0.13 0.00 0.02 0.00 0.00 34.50 32.33 6chy s PRO 82 CO 0.51 -1.45 0.38 0.08 -0.33 0.00 0.00 177.00 176.19 6chy s VAL 83 N -1.41 -0.61 -0.15 3.83 1.01 -1.26 -3.04 120.40 118.77 6chy s VAL 83 Ca 0.80 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.53 6chy s VAL 83 Cb -0.37 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 6chy s VAL 83 CO 0.40 -0.12 0.44 -0.22 0.00 0.00 0.00 175.10 175.59 6chy s LEU 84 N 2.55 4.23 -0.25 3.92 2.96 -0.66 0.00 118.68 131.43 6chy s LEU 84 Ca 0.13 0.69 -0.10 0.00 -0.22 0.00 0.00 54.13 54.64 6chy s LEU 84 Cb -0.15 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 6chy s LEU 84 CO -0.16 -0.03 0.14 -0.04 -1.32 0.00 0.00 176.35 174.94 6chy s MET 85 N 0.88 3.92 -0.03 1.98 -1.94 0.42 -0.22 119.30 124.32 6chy s MET 85 Ca 0.23 -0.34 -0.12 0.00 -1.71 0.00 0.00 55.69 53.75 6chy s MET 85 Cb -0.15 -3.49 -0.05 0.00 2.01 0.00 0.00 34.83 33.15 6chy s MET 85 CO 0.09 -0.06 0.32 0.54 -0.01 0.00 0.00 175.02 175.90 6chy s VAL 86 N 1.35 5.19 0.14 -6.03 0.11 0.32 -2.72 120.40 118.76 6chy s VAL 86 Ca 0.06 0.59 0.06 0.00 -2.93 0.00 0.00 61.98 59.76 6chy s VAL 86 Cb -0.15 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 6chy s VAL 86 CO 0.06 0.56 -0.13 0.27 -3.33 0.00 0.00 175.10 172.53 6chy s ILE 87 N -1.10 1.34 0.25 7.04 -4.36 -0.83 -2.75 121.20 120.78 6chy s ILE 87 Ca 0.22 -1.84 0.24 0.00 -0.26 0.00 0.00 60.65 59.01 6chy s ILE 87 Cb -0.15 -1.65 0.23 0.00 1.25 0.00 0.00 42.46 42.14 6chy s ILE 87 CO 0.11 -0.51 1.90 0.00 0.24 0.00 0.00 174.94 176.68 6chy h ALA 88 N 3.26 1.12 -1.13 2.27 0.00 -1.90 0.37 119.26 123.25 6chy h ALA 88 Ca -0.39 -0.20 0.31 0.00 0.00 0.00 0.00 54.91 54.63 6chy h ALA 88 Cb 1.20 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 6chy h ALA 88 CO 0.55 0.27 0.95 -1.83 0.00 0.00 0.00 179.25 179.19 6chy s GLU 89 N -3.85 0.09 -1.26 0.00 -1.05 -1.26 -4.73 118.70 106.63 6chy s GLU 89 Ca -0.01 -0.03 -0.08 0.00 -0.15 0.00 0.00 54.97 54.71 6chy s GLU 89 Cb 0.11 0.04 -0.07 0.00 -0.44 0.00 0.00 34.13 33.78 6chy s GLU 89 CO 0.63 -0.04 2.52 0.00 0.95 0.00 0.00 175.26 179.32 6chy n ALA 90 N 0.02 6.07 -1.99 -0.84 0.00 -1.26 -4.87 120.51 117.64 6chy n ALA 90 Ca 0.04 -2.74 -0.41 0.00 0.00 0.00 0.00 53.44 50.33 6chy n ALA 90 Cb 0.57 -3.19 -0.03 0.00 0.00 0.00 0.00 19.45 16.81 6chy n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 6chy s LYS 91 N 2.83 3.07 0.15 0.00 2.47 -1.26 -4.90 119.74 122.11 6chy s LYS 91 Ca 0.54 1.19 -0.17 0.00 -1.56 0.00 0.00 55.97 55.97 6chy s LYS 91 Cb 0.14 -4.27 0.09 0.00 -1.46 0.00 0.00 37.83 32.33 6chy s LYS 91 CO -0.05 -2.17 1.16 1.63 0.16 0.00 0.00 175.35 176.08 6chy n LYS 92 N 8.67 -0.24 0.09 4.03 5.02 -1.26 0.33 118.16 134.79 6chy n LYS 92 Ca 0.23 1.15 0.05 0.00 -2.02 0.00 0.00 58.31 57.71 6chy n LYS 92 Cb 0.49 -1.70 0.48 0.00 -0.02 0.00 0.00 35.03 34.28 6chy n LYS 92 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 6chy h GLU 93 N 0.00 0.35 -0.16 1.97 3.07 -1.99 -0.19 114.58 117.63 6chy h GLU 93 Ca 0.20 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.88 6chy h GLU 93 Cb 0.39 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 6chy h GLU 93 CO -0.73 0.27 -0.50 -0.91 -1.40 0.00 0.00 179.01 175.74 6chy h ASN 94 N 0.35 0.71 -0.34 1.42 2.35 -0.52 -2.09 115.58 117.47 6chy h ASN 94 Ca 0.09 -0.60 -0.11 0.00 -0.55 0.00 0.00 56.30 55.14 6chy h ASN 94 Cb 0.03 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 6chy h ASN 94 CO -0.01 1.19 -0.22 0.40 -1.65 0.00 0.00 177.43 177.13 6chy h ILE 95 N 0.28 1.29 -0.59 2.81 2.04 -1.02 -3.02 117.51 119.30 6chy h ILE 95 Ca -0.02 -1.36 -0.05 0.00 1.00 0.00 0.00 64.86 64.44 6chy h ILE 95 Cb 1.12 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 6chy h ILE 95 CO 0.11 0.44 0.18 0.40 0.00 0.00 0.00 178.15 179.28 6chy h ILE 96 N 0.52 1.24 -0.77 -0.67 2.04 -1.03 -1.37 117.51 117.46 6chy h ILE 96 Ca 0.07 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 6chy h ILE 96 Cb 0.77 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 6chy h ILE 96 CO 0.06 0.31 0.45 0.00 0.00 0.00 0.00 178.15 178.97 6chy h ALA 97 N 1.05 0.99 -0.10 1.87 0.00 -1.42 -0.89 119.26 120.76 6chy h ALA 97 Ca 0.19 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 6chy h ALA 97 Cb 0.29 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 6chy h ALA 97 CO -0.01 0.48 -0.18 0.00 0.00 0.00 0.00 179.25 179.54 6chy h ALA 98 N 1.24 0.16 -0.57 0.00 0.00 -1.39 -1.27 119.26 117.43 6chy h ALA 98 Ca 0.28 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 6chy h ALA 98 Cb -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 6chy h ALA 98 CO -0.05 0.08 0.23 0.00 0.00 0.00 0.00 179.25 179.51 6chy h ALA 99 N 0.53 0.74 -0.12 0.00 0.00 -1.23 -1.49 119.26 117.69 6chy h ALA 99 Ca 0.01 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.78 6chy h ALA 99 Cb 0.75 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 6chy h ALA 99 CO 0.04 0.35 -0.07 0.37 0.00 0.00 0.00 179.25 179.95 6chy h GLN 100 N 0.78 -0.06 -0.20 0.00 4.15 -1.17 -2.44 115.11 116.18 6chy h GLN 100 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.61 6chy h GLN 100 Cb 0.20 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.90 6chy h GLN 100 CO -0.02 -0.04 0.00 0.00 -1.93 0.00 0.00 178.83 176.85 6chy n ALA 101 N -2.37 2.23 -1.12 3.38 0.00 -0.48 -4.90 120.51 117.26 6chy n ALA 101 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 6chy n ALA 101 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 6chy n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 6chy n GLY 102 N 0.23 0.55 3.70 0.00 0.00 -0.92 -4.52 105.19 104.22 6chy n GLY 102 Ca 0.00 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 6chy n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6chy s ALA 103 N -2.00 3.64 0.42 4.61 0.00 -0.59 -4.88 121.76 122.96 6chy s ALA 103 Ca 0.00 1.11 0.17 0.00 0.00 0.00 0.00 51.96 53.24 6chy s ALA 103 Cb 0.00 -3.61 1.01 0.00 0.00 0.00 0.00 23.12 20.52 6chy s ALA 103 CO 0.00 -0.86 1.96 0.77 0.00 0.00 0.00 175.76 177.63 6chy h SER 104 N 7.51 0.00 -5.81 0.00 0.02 -0.76 -3.43 113.55 111.08 6chy h SER 104 Ca -0.41 0.00 0.34 0.00 -0.84 0.00 0.00 61.79 60.87 6chy h SER 104 Cb 1.20 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.63 6chy h SER 104 CO 0.90 0.22 0.86 -0.83 -1.14 0.00 0.00 176.83 176.84 6chy s GLY 105 N -4.22 -0.36 0.01 -3.77 0.00 -1.18 -4.83 107.32 92.97 6chy s GLY 105 Ca -0.03 0.58 -0.00 0.00 0.00 0.00 0.00 44.72 45.26 6chy s GLY 105 CO 0.68 1.26 -0.02 0.66 0.00 0.00 0.00 173.10 175.68 6chy s TRP 106 N -2.30 0.18 0.00 1.90 -2.14 -1.26 -0.44 118.94 114.88 6chy s TRP 106 Ca 0.17 -0.36 0.00 0.00 2.66 0.00 0.00 56.10 58.57 6chy s TRP 106 Cb 0.04 -0.13 -0.00 0.00 -3.10 0.00 0.00 33.47 30.28 6chy s TRP 106 CO -0.03 -0.14 -0.02 0.54 -2.66 0.00 0.00 176.95 174.64 6chy s VAL 107 N -1.04 0.13 -0.21 -0.66 0.11 -1.10 -4.94 120.40 112.68 6chy s VAL 107 Ca -0.11 -0.16 -0.15 0.00 -2.93 0.00 0.00 61.98 58.63 6chy s VAL 107 Cb -0.07 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 6chy s VAL 107 CO -0.01 -0.02 0.38 -0.69 -3.33 0.00 0.00 175.10 171.43 6chy s VAL 108 N -0.18 5.21 -0.11 2.04 1.01 -1.26 -1.96 120.40 125.15 6chy s VAL 108 Ca -0.01 0.65 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 6chy s VAL 108 Cb -0.02 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 6chy s VAL 108 CO -0.00 0.26 0.43 -1.59 0.00 0.00 0.00 175.10 174.20 6chy s LYS 109 N 1.31 4.28 0.20 2.72 -2.85 0.13 -3.03 119.74 122.51 6chy s LYS 109 Ca 0.18 0.37 -0.30 0.00 -1.00 0.00 0.00 55.97 55.22 6chy s LYS 109 Cb -0.15 -3.41 -0.08 0.00 -2.06 0.00 0.00 37.83 32.13 6chy s LYS 109 CO 0.08 0.24 1.20 -1.25 0.10 0.00 0.00 175.35 175.71 6chy s PRO 110 N 0.39 4.49 0.11 1.78 0.04 -1.26 -4.42 135.00 136.13 6chy s PRO 110 Ca 0.24 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.20 6chy s PRO 110 Cb -0.15 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 6chy s PRO 110 CO 0.09 -0.07 -0.07 -0.59 0.04 0.00 0.00 177.00 176.40 6chy s PHE 111 N -0.21 0.99 0.24 0.56 -0.71 -1.17 -5.18 117.98 112.51 6chy s PHE 111 Ca 0.52 -0.88 0.06 0.00 -1.04 0.00 0.00 56.93 55.59 6chy s PHE 111 Cb -0.33 -0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 40.89 6chy s PHE 111 CO 0.38 -0.09 0.29 0.95 -1.34 0.00 0.00 175.22 175.40 6chy s THR 112 N -3.55 4.93 0.45 -4.49 -4.23 -1.26 -4.98 115.64 102.50 6chy s THR 112 Ca 0.13 -1.14 0.17 0.00 -1.18 0.00 0.00 61.69 59.67 6chy s THR 112 Cb 0.05 -3.66 0.36 0.00 1.34 0.00 0.00 72.50 70.58 6chy s THR 112 CO -0.03 -0.32 1.95 0.00 -0.54 0.00 0.00 174.62 175.67 6chy h ALA 113 N 1.37 2.15 0.03 3.99 0.00 -1.97 0.30 119.26 125.14 6chy h ALA 113 Ca -0.50 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 6chy h ALA 113 Cb 1.23 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.98 6chy h ALA 113 CO 0.61 -0.33 -1.04 0.00 0.00 0.00 0.00 179.25 178.49 6chy h ALA 114 N 1.67 0.25 -0.13 0.00 0.00 -1.96 0.58 119.26 119.67 6chy h ALA 114 Ca 0.33 -0.74 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 6chy h ALA 114 Cb 0.80 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.61 6chy h ALA 114 CO -0.09 0.80 -0.48 1.15 0.00 0.00 0.00 179.25 180.63 6chy h THR 115 N 0.24 1.35 0.63 0.00 2.02 -1.72 0.30 112.91 115.73 6chy h THR 115 Ca -0.11 -1.77 -0.03 0.00 0.77 0.00 0.00 66.41 65.27 6chy h THR 115 Cb 1.69 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 6chy h THR 115 CO 0.18 0.54 -0.33 0.25 0.37 0.00 0.00 175.52 176.54 6chy h LEU 116 N 0.19 -0.79 -1.09 2.58 5.85 -0.38 -0.47 115.31 121.20 6chy h LEU 116 Ca -0.02 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.76 6chy h LEU 116 Cb 1.11 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.31 6chy h LEU 116 CO 0.10 -0.54 0.62 -0.08 -0.34 0.00 0.00 178.44 178.20 6chy h GLU 117 N -0.88 1.17 -0.58 1.25 4.81 0.23 -2.13 114.58 118.45 6chy h GLU 117 Ca -0.08 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.18 6chy h GLU 117 Cb 0.69 -0.26 -0.08 0.00 0.63 0.00 0.00 28.75 29.72 6chy h GLU 117 CO 0.12 0.77 0.13 1.49 -0.73 0.00 0.00 179.01 180.80 6chy h GLU 118 N 1.21 0.25 -0.40 1.92 4.81 0.03 -1.83 114.58 120.57 6chy h GLU 118 Ca 0.36 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.42 6chy h GLU 118 Cb -0.03 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 6chy h GLU 118 CO -0.10 0.17 -0.37 0.87 -0.73 0.00 0.00 179.01 178.85 6chy h LYS 119 N 0.26 0.95 0.00 1.92 6.56 -0.44 -2.57 116.57 123.26 6chy h LYS 119 Ca 0.30 -0.49 -0.24 0.00 -1.06 0.00 0.00 60.65 59.16 6chy h LYS 119 Cb 0.44 0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.12 6chy h LYS 119 CO -0.39 1.15 -0.97 -0.07 -2.06 0.00 0.00 179.45 177.12 6chy h LEU 120 N 0.78 0.63 -0.98 2.94 3.38 -1.43 -2.55 115.31 118.09 6chy h LEU 120 Ca 0.07 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.54 6chy h LEU 120 Cb 0.97 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 6chy h LEU 120 CO 0.09 1.31 0.65 0.78 0.09 0.00 0.00 178.44 181.36 6chy h ASN 121 N 0.27 1.11 0.75 -0.43 2.35 -1.22 0.77 115.58 119.18 6chy h ASN 121 Ca -0.09 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.60 6chy h ASN 121 Cb 1.61 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 39.72 6chy h ASN 121 CO 0.17 0.79 -0.36 0.11 -1.65 0.00 0.00 177.43 176.50 6chy h LYS 122 N 1.31 -0.97 0.28 0.81 1.57 -1.37 -2.18 116.57 116.01 6chy h LYS 122 Ca 0.37 0.07 0.01 0.00 -1.87 0.00 0.00 60.65 59.22 6chy h LYS 122 Cb -0.12 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 6chy h LYS 122 CO -0.09 -0.63 -0.41 0.82 -0.57 0.00 0.00 179.45 178.57 6chy h ILE 123 N -1.10 0.17 -0.95 1.86 2.04 -1.03 -2.54 117.51 115.96 6chy h ILE 123 Ca -0.10 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.97 6chy h ILE 123 Cb 0.79 0.17 -0.18 0.00 -0.74 0.00 0.00 36.82 36.86 6chy h ILE 123 CO 0.17 0.00 -0.15 -0.26 0.00 0.00 0.00 178.15 177.91 6chy h PHE 124 N -0.75 -0.35 -0.62 1.37 0.04 0.55 0.14 116.94 117.33 6chy h PHE 124 Ca -0.01 0.08 -0.05 0.00 2.80 0.00 0.00 57.97 60.79 6chy h PHE 124 Cb 0.72 0.30 -0.03 0.00 2.20 0.00 0.00 35.95 39.14 6chy h PHE 124 CO -0.29 -0.41 0.20 0.93 -0.60 0.00 0.00 178.31 178.15 6chy h GLU 125 N 0.01 0.96 0.00 1.51 4.39 -1.08 0.33 114.58 120.69 6chy h GLU 125 Ca 0.50 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 6chy h GLU 125 Cb 0.85 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 6chy h GLU 125 CO -0.95 0.84 -0.45 1.57 -1.16 0.00 0.00 179.01 178.86 6chy h LYS 126 N 0.88 0.00 -0.00 2.33 2.10 -0.59 -2.91 116.57 118.39 6chy h LYS 126 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 6chy h LYS 126 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 6chy h LYS 126 CO -0.01 0.12 -0.11 1.28 -2.00 0.00 0.00 179.45 178.73 6chy n LEU 127 N -3.00 0.23 -3.50 7.07 4.77 0.29 -4.94 117.00 117.93 6chy n LEU 127 Ca 0.02 0.21 -0.19 0.00 -0.03 0.00 0.00 56.01 56.02 6chy n LEU 127 Cb 0.60 -0.31 0.08 0.00 -2.33 0.00 0.00 43.42 41.46 6chy n LEU 127 CO 0.37 0.05 0.13 0.61 -1.33 0.00 0.00 177.39 177.22 6chy n GLY 128 N 1.37 -0.40 0.68 -0.72 0.00 0.47 -5.04 105.19 101.56 6chy n GLY 128 Ca 0.11 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.40 6chy n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35