#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pmc s ASP 3 N 0.00 7.09 0.20 0.00 -1.08 -1.26 -4.95 116.67 116.67 2pmc s ASP 3 Ca 0.00 1.95 0.22 0.00 -0.52 0.00 0.00 52.55 54.20 2pmc s ASP 3 Cb 0.00 -2.57 -0.00 0.00 -1.46 0.00 0.00 42.92 38.89 2pmc s ASP 3 CO 0.00 -0.48 1.05 0.11 0.52 0.00 0.00 175.17 176.36 2pmc h LYS 4 N 6.96 0.00 0.00 4.34 1.79 -1.98 -3.28 116.57 124.40 2pmc h LYS 4 Ca -0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 2pmc h LYS 4 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2pmc h LYS 4 CO 0.82 0.01 -0.07 -0.85 -1.08 0.00 0.00 179.45 178.28 2pmc n GLU 5 N -2.70 0.27 -1.62 3.15 0.28 -1.26 -4.21 120.64 114.56 2pmc n GLU 5 Ca -0.00 0.21 -0.46 0.00 -0.16 0.00 0.00 57.16 56.74 2pmc n GLU 5 Cb 0.56 -1.80 -0.03 0.00 1.43 0.00 0.00 31.44 31.60 2pmc n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2pmc n LEU 6 N -2.27 2.18 -4.61 -1.84 7.94 -1.24 -4.72 117.00 112.44 2pmc n LEU 6 Ca 0.05 1.15 -0.43 0.00 -1.11 0.00 0.00 56.01 55.68 2pmc n LEU 6 Cb 0.43 -1.31 -0.02 0.00 0.53 0.00 0.00 43.42 43.05 2pmc n LEU 6 CO 0.31 -1.02 1.06 -0.75 -1.11 0.00 0.00 177.39 175.87 2pmc s LYS 7 N -0.71 3.77 -0.01 1.96 2.20 -1.26 -4.51 119.74 121.18 2pmc s LYS 7 Ca 0.68 0.76 -0.16 0.00 -0.36 0.00 0.00 55.97 56.88 2pmc s LYS 7 Cb -0.74 -3.89 -0.06 0.00 -1.51 0.00 0.00 37.83 31.63 2pmc s LYS 7 CO 0.53 -1.31 0.45 -0.06 -0.36 0.00 0.00 175.35 174.61 2pmc s PHE 8 N 4.46 3.69 -0.27 4.03 0.40 -0.18 -0.62 117.98 129.49 2pmc s PHE 8 Ca 0.50 1.02 -0.02 0.00 -0.60 0.00 0.00 56.93 57.83 2pmc s PHE 8 Cb -0.10 -2.38 0.03 0.00 0.51 0.00 0.00 43.02 41.08 2pmc s PHE 8 CO 0.28 0.52 -0.04 -1.17 0.70 0.00 0.00 175.22 175.52 2pmc s LEU 9 N -0.69 3.46 -0.12 -0.37 2.96 0.75 -0.43 118.68 124.25 2pmc s LEU 9 Ca 0.25 -1.02 -0.18 0.00 -0.22 0.00 0.00 54.13 52.96 2pmc s LEU 9 Cb -0.17 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2pmc s LEU 9 CO 0.14 -0.18 0.47 -0.69 -1.32 0.00 0.00 176.35 174.77 2pmc s VAL 10 N 1.30 5.19 -0.12 1.68 1.01 -0.05 -1.32 120.40 128.09 2pmc s VAL 10 Ca -0.02 0.94 0.03 0.00 0.00 0.00 0.00 61.98 62.94 2pmc s VAL 10 Cb -0.18 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2pmc s VAL 10 CO -0.03 0.33 -0.23 -0.69 0.00 0.00 0.00 175.10 174.48 2pmc s VAL 11 N 0.62 2.11 -0.30 2.92 1.01 0.12 -1.10 120.40 125.78 2pmc s VAL 11 Ca 0.26 -0.98 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 2pmc s VAL 11 Cb -0.15 -1.82 0.19 0.00 0.00 0.00 0.00 36.38 34.59 2pmc s VAL 11 CO 0.10 0.55 1.17 -0.62 0.00 0.00 0.00 175.10 176.31 2pmc s ASP 12 N 0.56 -0.21 0.00 3.32 -1.08 0.98 -1.30 116.67 118.93 2pmc s ASP 12 Ca -0.13 0.35 0.07 0.00 -0.52 0.00 0.00 52.55 52.31 2pmc s ASP 12 Cb -0.17 1.03 0.40 0.00 -1.46 0.00 0.00 42.92 42.72 2pmc s ASP 12 CO 0.04 -0.05 0.89 -0.90 0.52 0.00 0.00 175.17 175.66 2pmc n ASP 13 N 3.18 0.00 -4.22 -0.34 5.75 -1.17 -4.19 116.55 115.57 2pmc n ASP 13 Ca -0.17 -0.87 -0.34 0.00 -0.01 0.00 0.00 54.79 53.39 2pmc n ASP 13 Cb 0.57 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.51 2pmc n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2pmc s PHE 14 N -2.00 2.99 0.31 2.11 0.40 -1.26 -4.98 117.98 115.54 2pmc s PHE 14 Ca 0.10 -1.37 -0.00 0.00 -0.60 0.00 0.00 56.93 55.06 2pmc s PHE 14 Cb 0.05 -2.05 0.51 0.00 0.51 0.00 0.00 43.02 42.03 2pmc s PHE 14 CO 0.08 -0.68 1.95 0.66 0.70 0.00 0.00 175.22 177.92 2pmc h SER 15 N 8.04 0.90 -0.24 1.36 4.64 -1.99 -0.79 113.55 125.46 2pmc h SER 15 Ca -0.38 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 2pmc h SER 15 Cb 1.13 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 2pmc h SER 15 CO 0.59 0.62 0.08 0.74 -0.87 0.00 0.00 176.83 177.99 2pmc h THR 16 N 1.04 1.19 -0.38 2.95 2.02 -1.95 0.14 112.91 117.93 2pmc h THR 16 Ca 0.33 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 2pmc h THR 16 Cb 0.03 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2pmc h THR 16 CO -0.10 0.20 0.10 -0.03 0.37 0.00 0.00 175.52 176.05 2pmc h MET 17 N 0.22 0.60 -0.83 6.66 -1.53 -1.91 -0.36 114.93 117.80 2pmc h MET 17 Ca 0.08 -0.14 0.12 0.00 -3.44 0.00 0.00 59.70 56.32 2pmc h MET 17 Cb 0.23 -0.08 -0.08 0.00 -0.55 0.00 0.00 31.60 31.12 2pmc h MET 17 CO -0.00 0.64 0.44 0.00 0.14 0.00 0.00 176.91 178.12 2pmc h ARG 18 N 0.46 0.65 -0.05 0.39 3.08 -0.74 0.12 114.38 118.30 2pmc h ARG 18 Ca 0.12 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2pmc h ARG 18 Cb 0.30 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 2pmc h ARG 18 CO 0.00 0.43 0.01 -0.09 -1.07 0.00 0.00 179.97 179.26 2pmc h ARG 19 N 0.67 0.08 -0.94 0.04 2.43 -0.53 -1.17 114.38 114.96 2pmc h ARG 19 Ca 0.43 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.66 2pmc h ARG 19 Cb 0.53 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.00 2pmc h ARG 19 CO -0.32 0.28 0.59 0.82 -1.51 0.00 0.00 179.97 179.84 2pmc h ILE 20 N -0.13 1.03 -0.40 1.20 2.04 0.24 0.65 117.51 122.13 2pmc h ILE 20 Ca 0.02 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.40 2pmc h ILE 20 Cb 0.23 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 2pmc h ILE 20 CO -0.00 0.19 -0.19 0.58 0.00 0.00 0.00 178.15 178.73 2pmc h VAL 21 N 1.05 1.28 -0.54 1.67 2.07 -0.82 -2.75 116.25 118.21 2pmc h VAL 21 Ca 0.42 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.63 2pmc h VAL 21 Cb 0.24 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2pmc h VAL 21 CO -0.20 0.44 0.36 -0.09 0.02 0.00 0.00 177.57 178.10 2pmc h ARG 22 N 0.65 0.68 -0.31 1.57 2.43 0.16 -1.81 114.38 117.75 2pmc h ARG 22 Ca 0.09 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2pmc h ARG 22 Cb 0.75 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2pmc h ARG 22 CO 0.06 0.45 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.95 2pmc h ASN 23 N 0.70 0.64 -0.05 -3.80 2.35 -0.90 -2.39 115.58 112.13 2pmc h ASN 23 Ca 0.20 -0.38 -0.10 0.00 -0.55 0.00 0.00 56.30 55.47 2pmc h ASN 23 Cb -0.04 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2pmc h ASN 23 CO -0.05 0.88 -0.26 -0.07 -1.65 0.00 0.00 177.43 176.28 2pmc h LEU 24 N 0.40 0.49 -0.11 1.61 3.38 -1.12 0.17 115.31 120.11 2pmc h LEU 24 Ca 0.08 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2pmc h LEU 24 Cb 0.61 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2pmc h LEU 24 CO 0.04 0.74 -0.18 -0.07 0.09 0.00 0.00 178.44 179.06 2pmc h LEU 25 N 0.43 0.36 -1.66 1.67 3.38 -1.40 -0.72 115.31 117.37 2pmc h LEU 25 Ca 0.06 -0.53 0.11 0.00 0.09 0.00 0.00 57.88 57.61 2pmc h LEU 25 Cb 0.68 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2pmc h LEU 25 CO 0.05 0.82 0.42 0.50 0.09 0.00 0.00 178.44 180.32 2pmc h LYS 26 N -0.10 0.36 0.00 1.13 3.64 -1.21 0.12 116.57 120.52 2pmc h LYS 26 Ca 0.01 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2pmc h LYS 26 Cb 0.75 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2pmc h LYS 26 CO 0.04 0.24 -0.13 1.49 -2.27 0.00 0.00 179.45 178.82 2pmc h GLU 27 N 0.37 0.00 -0.69 1.90 4.81 -0.23 -2.50 114.58 118.23 2pmc h GLU 27 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2pmc h GLU 27 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2pmc h GLU 27 CO -0.08 0.13 0.00 1.28 -0.73 0.00 0.00 179.01 179.61 2pmc n LEU 28 N -3.23 4.47 0.00 1.64 4.77 0.24 -4.96 117.00 119.94 2pmc n LEU 28 Ca 0.01 -2.26 0.00 0.00 -0.03 0.00 0.00 56.01 53.73 2pmc n LEU 28 Cb 0.42 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2pmc n LEU 28 CO 0.32 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 2pmc n GLY 29 N 1.36 3.02 3.55 -0.72 0.00 -0.42 -5.01 105.19 106.98 2pmc n GLY 29 Ca 0.26 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 2pmc n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pmc s PHE 30 N -1.51 1.42 -0.94 1.61 0.08 -0.23 -4.77 117.98 113.63 2pmc s PHE 30 Ca 0.00 1.13 0.24 0.00 0.12 0.00 0.00 56.93 58.42 2pmc s PHE 30 Cb 0.00 -3.87 0.38 0.00 -0.57 0.00 0.00 43.02 38.96 2pmc s PHE 30 CO 0.00 -2.34 1.32 0.09 -0.10 0.00 0.00 175.22 174.20 2pmc n ASN 31 N 14.28 0.58 -4.48 1.36 3.02 -1.26 -2.69 115.26 126.07 2pmc n ASN 31 Ca 0.29 -0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 54.11 2pmc n ASN 31 Cb 0.53 0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 2pmc n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2pmc s ASN 32 N -3.16 6.46 0.06 6.41 3.84 -1.26 -4.99 114.94 122.29 2pmc s ASN 32 Ca 0.10 -1.56 0.06 0.00 0.21 0.00 0.00 52.86 51.67 2pmc s ASN 32 Cb 0.17 -2.45 -0.03 0.00 -0.55 0.00 0.00 41.25 38.39 2pmc s ASN 32 CO 0.73 -1.30 -0.17 -0.69 -2.79 0.00 0.00 177.10 172.88 2pmc s VAL 33 N 3.70 1.34 0.15 -5.21 1.01 -1.26 -1.01 120.40 119.12 2pmc s VAL 33 Ca 0.33 -1.20 0.05 0.00 0.00 0.00 0.00 61.98 61.16 2pmc s VAL 33 Cb -0.07 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2pmc s VAL 33 CO -0.03 -0.01 -0.11 -1.61 0.00 0.00 0.00 175.10 173.34 2pmc s GLU 34 N -1.40 1.07 0.17 2.72 0.41 0.43 -4.94 118.70 117.17 2pmc s GLU 34 Ca 0.03 -1.43 0.10 0.00 -0.41 0.00 0.00 54.97 53.27 2pmc s GLU 34 Cb -0.09 -0.70 -0.04 0.00 -1.78 0.00 0.00 34.13 31.52 2pmc s GLU 34 CO 0.02 0.10 -0.23 -1.21 -0.49 0.00 0.00 175.26 173.45 2pmc s GLU 35 N -3.56 1.40 -0.03 1.61 2.02 -1.26 -0.87 118.70 118.01 2pmc s GLU 35 Ca 0.16 -1.43 -0.17 0.00 0.02 0.00 0.00 54.97 53.55 2pmc s GLU 35 Cb 0.01 -1.67 0.03 0.00 0.10 0.00 0.00 34.13 32.60 2pmc s GLU 35 CO 0.01 0.36 0.35 0.00 0.02 0.00 0.00 175.26 176.01 2pmc s ALA 36 N -1.63 -0.90 -1.45 5.21 0.00 -0.26 -4.93 121.76 117.79 2pmc s ALA 36 Ca 0.17 0.48 0.17 0.00 0.00 0.00 0.00 51.96 52.78 2pmc s ALA 36 Cb -0.08 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2pmc s ALA 36 CO 0.08 -0.27 0.86 -0.85 0.00 0.00 0.00 175.76 175.59 2pmc n GLU 37 N 1.33 1.60 -3.92 0.00 0.28 -1.26 -0.01 120.64 118.67 2pmc n GLU 37 Ca -0.21 -0.72 0.00 0.00 -0.16 0.00 0.00 57.16 56.08 2pmc n GLU 37 Cb 0.56 -1.30 0.01 0.00 1.43 0.00 0.00 31.44 32.14 2pmc n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2pmc s ASP 38 N -2.08 -0.00 0.10 -1.84 1.47 -1.26 -3.01 116.67 110.04 2pmc s ASP 38 Ca 0.13 -0.40 -0.34 0.00 1.18 0.00 0.00 52.55 53.12 2pmc s ASP 38 Cb 0.14 0.30 -0.14 0.00 -0.34 0.00 0.00 42.92 42.87 2pmc s ASP 38 CO 0.47 -0.60 1.57 1.23 0.68 0.00 0.00 175.17 178.52 2pmc h GLY 39 N 2.00 -1.12 0.54 2.12 0.00 -1.72 0.27 103.07 105.16 2pmc h GLY 39 Ca -0.25 0.59 0.13 0.00 0.00 0.00 0.00 47.33 47.80 2pmc h GLY 39 CO 0.33 -0.31 0.59 -2.08 0.00 0.00 0.00 176.54 175.08 2pmc h VAL 40 N -0.82 0.89 0.49 4.60 2.07 -1.93 0.13 116.25 121.67 2pmc h VAL 40 Ca -0.02 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2pmc h VAL 40 Cb 0.78 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2pmc h VAL 40 CO -0.20 0.15 -0.24 -0.78 0.02 0.00 0.00 177.57 176.53 2pmc h ASP 41 N 0.83 -0.56 -0.37 0.57 3.58 -1.71 -1.61 116.42 117.14 2pmc h ASP 41 Ca 0.46 -0.07 0.08 0.00 0.42 0.00 0.00 57.03 57.92 2pmc h ASP 41 Cb 0.59 0.15 -0.08 0.00 1.72 0.00 0.00 39.33 41.71 2pmc h ASP 41 CO -0.22 -0.24 -0.16 0.00 -2.88 0.00 0.00 179.24 175.74 2pmc h ALA 42 N -0.55 0.14 -0.85 -0.78 0.00 0.04 -1.51 119.26 115.75 2pmc h ALA 42 Ca -0.07 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2pmc h ALA 42 Cb 0.60 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2pmc h ALA 42 CO 0.11 -0.53 0.52 -0.07 0.00 0.00 0.00 179.25 179.29 2pmc h LEU 43 N -0.09 0.81 -1.16 0.00 3.38 -0.74 0.42 115.31 117.94 2pmc h LEU 43 Ca 0.18 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2pmc h LEU 43 Cb 0.37 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2pmc h LEU 43 CO -0.43 0.51 -0.17 0.78 0.09 0.00 0.00 178.44 179.23 2pmc h ASN 44 N 0.94 0.00 0.95 -0.43 2.35 -0.80 -2.47 115.58 116.12 2pmc h ASN 44 Ca 0.38 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.98 2pmc h ASN 44 Cb 0.20 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2pmc h ASN 44 CO -0.18 0.17 -1.13 0.11 -1.65 0.00 0.00 177.43 174.75 2pmc h LYS 45 N 0.00 0.00 -0.06 0.81 1.57 -0.15 -3.34 116.57 115.41 2pmc h LYS 45 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2pmc h LYS 45 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2pmc h LYS 45 CO 0.02 0.35 -0.56 -0.07 -0.57 0.00 0.00 179.45 178.62 2pmc h LEU 46 N 0.00 0.19 -1.52 2.94 3.38 0.05 -3.21 115.31 117.14 2pmc h LEU 46 Ca -0.11 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2pmc h LEU 46 Cb 1.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2pmc h LEU 46 CO 0.05 0.71 0.08 1.56 0.09 0.00 0.00 178.44 180.93 2pmc h GLN 47 N 0.13 0.00 -0.15 1.13 4.20 -1.57 -0.50 115.11 118.35 2pmc h GLN 47 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2pmc h GLN 47 Cb 1.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2pmc h GLN 47 CO 0.08 0.00 -0.27 0.00 -0.67 0.00 0.00 178.83 177.97 2pmc h ALA 48 N 1.80 0.23 0.00 3.87 0.00 -1.77 -3.50 119.26 119.89 2pmc h ALA 48 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2pmc h ALA 48 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pmc h ALA 48 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2pmc n GLY 49 N 0.40 -2.79 3.38 0.00 0.00 -0.20 -4.98 105.19 101.01 2pmc n GLY 49 Ca -0.07 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2pmc n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pmc n GLY 50 N -0.08 0.93 3.77 -0.02 0.00 -1.26 -4.99 105.19 103.54 2pmc n GLY 50 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2pmc n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pmc s PHE 51 N -2.90 3.02 -0.04 1.61 0.40 -1.26 -4.44 117.98 114.36 2pmc s PHE 51 Ca 0.00 1.56 -0.01 0.00 -0.60 0.00 0.00 56.93 57.88 2pmc s PHE 51 Cb 0.00 -3.34 -0.02 0.00 0.51 0.00 0.00 43.02 40.17 2pmc s PHE 51 CO 0.00 -1.28 -0.04 0.41 0.70 0.00 0.00 175.22 175.00 2pmc n GLY 52 N 0.50 -0.06 2.82 4.36 0.00 0.21 -4.92 105.19 108.09 2pmc n GLY 52 Ca 0.06 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2pmc n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pmc s PHE 53 N -2.08 -0.05 -0.17 1.61 2.19 -0.85 -4.09 117.98 114.54 2pmc s PHE 53 Ca -0.05 0.29 -0.07 0.00 0.33 0.00 0.00 56.93 57.42 2pmc s PHE 53 Cb 0.02 -0.20 -0.04 0.00 -1.31 0.00 0.00 43.02 41.48 2pmc s PHE 53 CO 0.08 -0.13 0.07 0.42 1.83 0.00 0.00 175.22 177.49 2pmc s ILE 54 N 1.25 4.91 -0.23 3.12 -1.09 -0.47 -0.17 121.20 128.51 2pmc s ILE 54 Ca -0.08 0.00 -0.01 0.00 -2.23 0.00 0.00 60.65 58.34 2pmc s ILE 54 Cb -0.12 -3.19 0.03 0.00 -1.58 0.00 0.00 42.46 37.59 2pmc s ILE 54 CO -0.04 0.49 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.43 2pmc s ILE 55 N 0.09 2.63 0.10 2.92 1.01 -0.44 -0.71 121.20 126.79 2pmc s ILE 55 Ca 0.06 -1.07 0.10 0.00 0.00 0.00 0.00 60.65 59.74 2pmc s ILE 55 Cb -0.12 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2pmc s ILE 55 CO 0.00 0.25 -0.23 -0.55 0.00 0.00 0.00 174.94 174.41 2pmc s SER 56 N 1.29 3.50 0.46 3.58 0.15 0.21 0.15 113.70 123.05 2pmc s SER 56 Ca 0.00 -0.63 -0.14 0.00 0.70 0.00 0.00 55.95 55.89 2pmc s SER 56 Cb -0.16 -0.37 -0.07 0.00 -1.71 0.00 0.00 66.02 63.71 2pmc s SER 56 CO -0.06 0.20 0.87 -0.62 1.20 0.00 0.00 173.24 174.83 2pmc s ASP 57 N -1.85 6.58 -0.02 5.45 2.15 -0.42 0.70 116.67 129.25 2pmc s ASP 57 Ca 0.15 1.35 -0.00 0.00 0.43 0.00 0.00 52.55 54.48 2pmc s ASP 57 Cb -0.10 -2.41 -0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2pmc s ASP 57 CO 0.06 -0.49 -0.00 -0.25 -0.17 0.00 0.00 175.17 174.32 2pmc h TRP 58 N 1.11 0.00 -3.33 -5.34 2.91 -1.40 -3.11 115.95 106.80 2pmc h TRP 58 Ca -0.47 0.00 -0.56 0.00 1.13 0.00 0.00 58.89 58.99 2pmc h TRP 58 Cb 1.19 0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 29.77 2pmc h TRP 58 CO 0.62 0.00 0.99 -0.80 -1.03 0.00 0.00 178.44 178.23 2pmc s ASN 59 N -3.54 6.44 0.05 2.65 0.01 -1.26 -0.50 114.94 118.79 2pmc s ASN 59 Ca -0.00 0.35 0.02 0.00 -0.71 0.00 0.00 52.86 52.53 2pmc s ASN 59 Cb 0.00 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 2pmc s ASN 59 CO 0.00 -1.44 -0.08 -0.04 -1.51 0.00 0.00 177.10 174.03 2pmc s MET 60 N 4.88 0.57 0.86 -0.60 -1.94 -1.26 -4.76 119.30 117.04 2pmc s MET 60 Ca 0.49 -0.81 -0.11 0.00 -1.71 0.00 0.00 55.69 53.55 2pmc s MET 60 Cb -0.09 -0.34 0.11 0.00 2.01 0.00 0.00 34.83 36.53 2pmc s MET 60 CO 0.29 0.06 1.09 -1.25 -0.01 0.00 0.00 175.02 175.20 2pmc s PRO 61 N -1.72 1.54 0.00 2.03 0.04 -1.26 -3.70 135.00 131.93 2pmc s PRO 61 Ca -0.08 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2pmc s PRO 61 Cb -0.09 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2pmc s PRO 61 CO 0.00 -2.07 0.00 0.09 0.04 0.00 0.00 177.00 175.07 2pmc n ASN 62 N -3.77 0.00 -3.62 6.66 3.02 -1.26 -4.45 115.26 111.83 2pmc n ASN 62 Ca 0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.46 2pmc n ASN 62 Cb 0.55 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.57 2pmc n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2pmc s MET 63 N 0.00 0.11 0.70 3.52 1.75 -1.26 -4.98 119.30 119.14 2pmc s MET 63 Ca 0.00 0.53 -0.11 0.00 -1.25 0.00 0.00 55.69 54.85 2pmc s MET 63 Cb 0.00 -0.45 0.01 0.00 2.84 0.00 0.00 34.83 37.23 2pmc s MET 63 CO 0.00 -0.39 1.08 0.16 -0.65 0.00 0.00 175.02 175.22 2pmc s ASP 64 N 2.34 5.47 0.28 1.11 1.47 -1.24 -2.26 116.67 123.84 2pmc s ASP 64 Ca 0.03 1.30 0.02 0.00 1.18 0.00 0.00 52.55 55.08 2pmc s ASP 64 Cb -0.13 -2.16 0.65 0.00 -0.34 0.00 0.00 42.92 40.94 2pmc s ASP 64 CO -0.08 -1.34 1.72 1.23 0.68 0.00 0.00 175.17 177.38 2pmc h GLY 65 N -0.65 1.46 0.18 2.12 0.00 -0.72 -2.25 103.07 103.21 2pmc h GLY 65 Ca -0.45 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 46.71 2pmc h GLY 65 CO 0.62 -0.18 -0.48 -2.00 0.00 0.00 0.00 176.54 174.49 2pmc h LEU 66 N 0.47 -1.44 -1.28 3.11 5.85 -1.83 0.13 115.31 120.32 2pmc h LEU 66 Ca 0.52 0.16 0.12 0.00 0.84 0.00 0.00 57.88 59.51 2pmc h LEU 66 Cb 0.90 0.54 -0.06 0.00 0.37 0.00 0.00 40.66 42.40 2pmc h LEU 66 CO -0.47 -0.53 0.56 -0.33 -0.34 0.00 0.00 178.44 177.33 2pmc h GLU 67 N -0.71 0.74 0.28 1.25 5.08 -1.82 -2.10 114.58 117.31 2pmc h GLU 67 Ca 0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2pmc h GLU 67 Cb 0.73 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2pmc h GLU 67 CO -0.28 0.49 -0.14 1.25 -1.00 0.00 0.00 179.01 179.33 2pmc h LEU 68 N 0.76 -0.32 -0.92 1.33 5.85 -0.65 -1.78 115.31 119.57 2pmc h LEU 68 Ca 0.41 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.07 2pmc h LEU 68 Cb 0.55 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 2pmc h LEU 68 CO -0.18 -0.07 0.59 0.25 -0.34 0.00 0.00 178.44 178.69 2pmc h LEU 69 N -0.57 0.96 0.34 2.25 5.85 -0.50 0.72 115.31 124.35 2pmc h LEU 69 Ca -0.04 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2pmc h LEU 69 Cb 0.42 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2pmc h LEU 69 CO 0.06 0.64 -0.16 0.11 -0.34 0.00 0.00 178.44 178.75 2pmc h LYS 70 N 1.11 -0.44 -0.73 1.25 1.57 -1.38 0.43 116.57 118.37 2pmc h LYS 70 Ca 0.39 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.35 2pmc h LYS 70 Cb 0.09 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.40 2pmc h LYS 70 CO -0.15 -0.24 0.23 1.15 -0.57 0.00 0.00 179.45 179.88 2pmc h THR 71 N -0.55 0.59 -0.38 -0.16 2.02 -0.76 1.01 112.91 114.68 2pmc h THR 71 Ca -0.05 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 2pmc h THR 71 Cb 0.41 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2pmc h THR 71 CO 0.08 0.06 0.18 0.40 0.37 0.00 0.00 175.52 176.61 2pmc h ILE 72 N 0.35 1.17 -0.10 3.11 2.04 -0.53 -0.17 117.51 123.37 2pmc h ILE 72 Ca 0.41 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2pmc h ILE 72 Cb 0.66 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2pmc h ILE 72 CO -0.45 0.18 -0.02 0.03 0.00 0.00 0.00 178.15 177.89 2pmc h ARG 73 N 0.48 0.19 -0.33 2.37 2.47 0.16 -2.72 114.38 117.00 2pmc h ARG 73 Ca 0.13 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2pmc h ARG 73 Cb 0.12 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2pmc h ARG 73 CO -0.02 0.50 0.00 0.00 0.56 0.00 0.00 179.97 181.02 2pmc n ALA 74 N -2.32 2.37 -2.66 0.04 0.00 0.33 -4.29 120.51 113.99 2pmc n ALA 74 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 2pmc n ALA 74 Cb 0.24 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 2pmc n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pmc s ASP 75 N -0.74 5.88 0.30 0.00 -1.08 -0.08 -4.98 116.67 115.97 2pmc s ASP 75 Ca 0.00 -0.69 0.02 0.00 -0.52 0.00 0.00 52.55 51.36 2pmc s ASP 75 Cb 0.00 -2.09 0.58 0.00 -1.46 0.00 0.00 42.92 39.95 2pmc s ASP 75 CO 0.00 -0.31 1.88 0.77 0.52 0.00 0.00 175.17 178.03 2pmc h SER 76 N 8.48 0.88 0.02 -0.34 4.64 -1.84 0.23 113.55 125.62 2pmc h SER 76 Ca -0.29 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2pmc h SER 76 Cb 1.13 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2pmc h SER 76 CO 0.66 0.52 0.00 0.00 -0.87 0.00 0.00 176.83 177.14 2pmc n ALA 77 N -2.39 2.46 -1.07 5.18 0.00 -1.26 -3.63 120.51 119.79 2pmc n ALA 77 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pmc n ALA 77 Cb 0.28 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2pmc n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2pmc n MET 78 N -1.01 0.00 -0.10 0.00 2.81 0.32 -4.90 117.12 114.23 2pmc n MET 78 Ca 0.19 -0.47 -0.00 0.00 -1.81 0.00 0.00 57.70 55.61 2pmc n MET 78 Cb 0.09 -0.47 0.27 0.00 -0.71 0.00 0.00 33.22 32.41 2pmc n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2pmc h SER 79 N 0.00 0.67 0.46 7.83 4.64 -0.68 -3.02 113.55 123.46 2pmc h SER 79 Ca 0.00 -0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.11 2pmc h SER 79 Cb 1.00 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2pmc h SER 79 CO 0.00 0.61 -0.56 0.00 -0.87 0.00 0.00 176.83 176.01 2pmc h ALA 80 N 1.49 0.99 -1.55 5.18 0.00 -1.86 -3.45 119.26 120.06 2pmc h ALA 80 Ca 0.18 -0.51 -0.70 0.00 0.00 0.00 0.00 54.91 53.88 2pmc h ALA 80 Cb 0.15 -0.09 0.06 0.00 0.00 0.00 0.00 17.79 17.91 2pmc h ALA 80 CO -0.02 0.70 0.35 1.28 0.00 0.00 0.00 179.25 181.57 2pmc n LEU 81 N -3.89 1.29 -4.65 0.00 4.77 -1.14 -4.90 117.00 108.49 2pmc n LEU 81 Ca -0.02 1.13 -0.43 0.00 -0.03 0.00 0.00 56.01 56.67 2pmc n LEU 81 Cb 0.58 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.50 2pmc n LEU 81 CO 0.42 -1.25 1.30 -2.84 -1.33 0.00 0.00 177.39 173.69 2pmc s PRO 82 N 0.30 4.05 -0.22 3.23 0.02 -1.26 -4.96 135.00 136.17 2pmc s PRO 82 Ca 0.84 1.86 0.01 0.00 0.02 0.00 0.00 61.00 63.73 2pmc s PRO 82 Cb -1.00 -3.95 0.03 0.00 0.02 0.00 0.00 34.50 29.60 2pmc s PRO 82 CO 0.49 -0.98 -0.15 0.08 -0.33 0.00 0.00 177.00 176.12 2pmc s VAL 83 N 4.33 2.27 -0.27 3.83 1.01 -1.26 -1.37 120.40 128.95 2pmc s VAL 83 Ca 0.68 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 2pmc s VAL 83 Cb -0.27 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 2pmc s VAL 83 CO 0.26 0.31 0.22 -0.22 0.00 0.00 0.00 175.10 175.67 2pmc s LEU 84 N 1.25 4.05 0.10 3.92 2.96 0.11 -1.85 118.68 129.22 2pmc s LEU 84 Ca 0.00 0.08 -0.23 0.00 -0.22 0.00 0.00 54.13 53.76 2pmc s LEU 84 Cb -0.16 -2.17 -0.07 0.00 0.50 0.00 0.00 46.19 44.29 2pmc s LEU 84 CO -0.09 -0.05 0.68 -0.04 -1.32 0.00 0.00 176.35 175.54 2pmc s MET 85 N 1.64 4.40 -0.06 1.98 -1.94 -0.18 -0.62 119.30 124.52 2pmc s MET 85 Ca 0.09 0.95 0.04 0.00 -1.71 0.00 0.00 55.69 55.06 2pmc s MET 85 Cb -0.15 -3.27 -0.02 0.00 2.01 0.00 0.00 34.83 33.40 2pmc s MET 85 CO 0.09 0.55 -0.19 0.08 -0.01 0.00 0.00 175.02 175.54 2pmc s VAL 86 N -0.92 2.62 0.02 -6.03 1.01 0.22 0.28 120.40 117.60 2pmc s VAL 86 Ca 0.33 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 2pmc s VAL 86 Cb -0.21 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2pmc s VAL 86 CO 0.22 0.57 0.06 0.28 0.00 0.00 0.00 175.10 176.23 2pmc s THR 87 N -0.38 0.12 -0.08 3.92 -1.32 0.76 -0.96 115.64 117.70 2pmc s THR 87 Ca 0.03 -0.99 -0.26 0.00 -1.21 0.00 0.00 61.69 59.27 2pmc s THR 87 Cb -0.12 -0.62 -0.25 0.00 -1.51 0.00 0.00 72.50 69.99 2pmc s THR 87 CO 0.02 -0.55 0.93 0.00 -2.21 0.00 0.00 174.62 172.81 2pmc h ALA 88 N 4.09 -0.00 -3.88 11.08 0.00 -1.87 0.44 119.26 129.12 2pmc h ALA 88 Ca -0.32 -0.50 -0.68 0.00 0.00 0.00 0.00 54.91 53.40 2pmc h ALA 88 Cb 1.19 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.71 2pmc h ALA 88 CO 0.46 0.08 -0.84 -1.21 0.00 0.00 0.00 179.25 177.74 2pmc s GLU 89 N -2.74 2.70 -1.04 0.00 2.02 -1.26 -4.55 118.70 113.82 2pmc s GLU 89 Ca -0.17 -0.82 -0.19 0.00 0.02 0.00 0.00 54.97 53.81 2pmc s GLU 89 Cb -0.01 -2.29 0.11 0.00 0.10 0.00 0.00 34.13 32.04 2pmc s GLU 89 CO 0.73 0.40 1.33 0.00 0.02 0.00 0.00 175.26 177.74 2pmc s ALA 90 N -0.18 3.29 0.17 5.21 0.00 -1.26 -5.01 121.76 123.98 2pmc s ALA 90 Ca -0.02 -2.75 -0.13 0.00 0.00 0.00 0.00 51.96 49.07 2pmc s ALA 90 Cb -0.14 -4.26 -0.07 0.00 0.00 0.00 0.00 23.12 18.66 2pmc s ALA 90 CO 0.03 -3.15 0.55 0.15 0.00 0.00 0.00 175.76 173.34 2pmc s LYS 91 N 3.29 3.91 0.11 0.00 1.02 -1.26 -5.00 119.74 121.81 2pmc s LYS 91 Ca 0.40 0.41 -0.25 0.00 0.02 0.00 0.00 55.97 56.55 2pmc s LYS 91 Cb -0.02 -2.83 -0.07 0.00 -0.52 0.00 0.00 37.83 34.38 2pmc s LYS 91 CO -0.06 0.42 1.66 -0.22 -0.92 0.00 0.00 175.35 176.23 2pmc h LYS 92 N 3.21 -0.34 -1.06 1.68 3.64 -2.01 -1.69 116.57 120.01 2pmc h LYS 92 Ca -0.48 0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.21 2pmc h LYS 92 Cb 1.18 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 33.00 2pmc h LYS 92 CO 0.67 -0.22 0.70 1.05 -2.27 0.00 0.00 179.45 179.38 2pmc h GLU 93 N -0.35 0.28 0.25 1.90 -0.00 -2.01 -3.00 114.58 111.66 2pmc h GLU 93 Ca 0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.36 59.38 2pmc h GLU 93 Cb 0.40 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.09 2pmc h GLU 93 CO -0.15 0.19 -0.12 -0.97 -0.00 0.00 0.00 179.01 177.95 2pmc h ASN 94 N 0.29 -0.29 -0.94 3.06 -0.73 -1.72 -2.87 115.58 112.38 2pmc h ASN 94 Ca 0.58 0.01 0.18 0.00 1.87 0.00 0.00 56.30 58.94 2pmc h ASN 94 Cb 1.67 0.07 -0.11 0.00 0.27 0.00 0.00 38.32 40.23 2pmc h ASN 94 CO -0.23 0.17 0.53 0.40 -0.37 0.00 0.00 177.43 177.94 2pmc h ILE 95 N -1.09 0.68 0.81 2.57 2.04 -1.37 0.85 117.51 122.00 2pmc h ILE 95 Ca -0.03 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 2pmc h ILE 95 Cb 0.26 -0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.30 2pmc h ILE 95 CO 0.06 0.12 -0.39 0.40 0.00 0.00 0.00 178.15 178.34 2pmc h ILE 96 N 0.67 0.00 -0.96 -0.67 2.04 -1.64 -1.82 117.51 115.13 2pmc h ILE 96 Ca 0.54 -0.19 0.16 0.00 1.00 0.00 0.00 64.86 66.38 2pmc h ILE 96 Cb 0.85 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 2pmc h ILE 96 CO -0.40 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.36 2pmc h ALA 97 N -1.32 1.73 0.05 1.87 0.00 -1.22 0.13 119.26 120.51 2pmc h ALA 97 Ca -0.11 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2pmc h ALA 97 Cb 0.83 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2pmc h ALA 97 CO 0.18 -0.02 -0.22 0.00 0.00 0.00 0.00 179.25 179.19 2pmc h ALA 98 N 1.60 -0.32 -0.23 0.00 0.00 -0.79 -1.88 119.26 117.64 2pmc h ALA 98 Ca 0.51 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.31 2pmc h ALA 98 Cb 0.76 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2pmc h ALA 98 CO -0.28 -0.73 -0.24 0.00 0.00 0.00 0.00 179.25 178.00 2pmc h ALA 99 N 0.46 1.17 -0.29 0.00 0.00 -0.27 -2.30 119.26 118.02 2pmc h ALA 99 Ca 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2pmc h ALA 99 Cb 0.43 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2pmc h ALA 99 CO -0.16 0.53 0.08 0.37 0.00 0.00 0.00 179.25 180.06 2pmc h GLN 100 N 0.38 0.42 -0.00 0.00 4.15 -0.53 -2.49 115.11 117.03 2pmc h GLN 100 Ca 0.06 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2pmc h GLN 100 Cb 0.63 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.24 2pmc h GLN 100 CO 0.05 0.39 -0.37 0.00 -1.93 0.00 0.00 178.83 176.96 2pmc n ALA 101 N -2.48 3.28 -0.42 3.38 0.00 -0.73 -4.96 120.51 118.57 2pmc n ALA 101 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2pmc n ALA 101 Cb 0.16 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2pmc n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pmc n GLY 102 N 1.44 0.55 3.57 0.00 0.00 -0.94 -4.64 105.19 105.18 2pmc n GLY 102 Ca 0.08 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2pmc n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pmc s ALA 103 N -1.51 3.26 0.18 4.61 0.00 -1.02 -4.88 121.76 122.40 2pmc s ALA 103 Ca 0.00 -0.72 -0.17 0.00 0.00 0.00 0.00 51.96 51.07 2pmc s ALA 103 Cb 0.00 -3.64 0.14 0.00 0.00 0.00 0.00 23.12 19.62 2pmc s ALA 103 CO 0.00 -1.99 1.64 0.77 0.00 0.00 0.00 175.76 176.18 2pmc h SER 104 N 8.98 -0.60 -5.05 0.00 0.02 -1.73 -3.44 113.55 111.74 2pmc h SER 104 Ca -0.24 0.16 -0.24 0.00 -0.84 0.00 0.00 61.79 60.63 2pmc h SER 104 Cb 1.08 0.35 -0.15 0.00 0.14 0.00 0.00 62.40 63.82 2pmc h SER 104 CO 1.02 -0.20 -0.64 -0.83 -1.14 0.00 0.00 176.83 175.04 2pmc s GLY 105 N -3.16 1.21 -0.07 -3.77 0.00 -1.11 -4.88 107.32 95.54 2pmc s GLY 105 Ca -0.14 -1.59 -0.03 0.00 0.00 0.00 0.00 44.72 42.96 2pmc s GLY 105 CO 0.71 -1.45 0.09 -0.47 0.00 0.00 0.00 173.10 171.99 2pmc s TYR 106 N -3.91 0.00 0.02 1.90 6.14 -1.26 -1.01 117.35 119.24 2pmc s TYR 106 Ca 0.28 0.31 0.04 0.00 0.64 0.00 0.00 57.07 58.33 2pmc s TYR 106 Cb 0.07 -0.44 -0.02 0.00 0.42 0.00 0.00 41.96 42.00 2pmc s TYR 106 CO 0.05 -0.24 -0.12 0.54 0.64 0.00 0.00 175.55 176.42 2pmc s VAL 107 N 2.20 0.93 -0.06 3.14 0.11 0.14 -4.96 120.40 121.91 2pmc s VAL 107 Ca 0.04 -0.75 -0.17 0.00 -2.93 0.00 0.00 61.98 58.17 2pmc s VAL 107 Cb -0.12 -0.83 -0.05 0.00 -1.53 0.00 0.00 36.38 33.85 2pmc s VAL 107 CO -0.04 0.08 0.46 -0.69 -3.33 0.00 0.00 175.10 171.57 2pmc s VAL 108 N -0.62 5.08 0.02 2.04 1.01 -1.26 -0.17 120.40 126.50 2pmc s VAL 108 Ca 0.02 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 2pmc s VAL 108 Cb -0.06 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2pmc s VAL 108 CO 0.00 0.44 0.16 -1.59 0.00 0.00 0.00 175.10 174.12 2pmc s LYS 109 N -0.18 3.32 0.67 2.72 -2.85 0.15 -3.96 119.74 119.62 2pmc s LYS 109 Ca 0.25 -0.41 -0.13 0.00 -1.00 0.00 0.00 55.97 54.68 2pmc s LYS 109 Cb -0.16 -3.01 0.00 0.00 -2.06 0.00 0.00 37.83 32.60 2pmc s LYS 109 CO 0.12 0.65 1.07 -1.25 0.10 0.00 0.00 175.35 176.04 2pmc s PRO 110 N -2.08 2.94 0.21 1.78 0.04 -1.26 -4.51 135.00 132.12 2pmc s PRO 110 Ca 0.28 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.48 2pmc s PRO 110 Cb -0.13 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2pmc s PRO 110 CO 0.20 -1.11 0.12 1.97 0.04 0.00 0.00 177.00 178.23 2pmc n PHE 111 N -2.74 -0.19 -4.60 0.56 1.16 -1.25 -5.16 117.46 105.22 2pmc n PHE 111 Ca 0.08 -1.55 -0.27 0.00 -1.87 0.00 0.00 57.45 53.85 2pmc n PHE 111 Cb 0.53 0.08 -0.11 0.00 -1.61 0.00 0.00 39.48 38.38 2pmc n PHE 111 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2pmc s THR 112 N -2.60 1.79 0.26 1.97 -4.23 -1.26 -4.99 115.64 106.58 2pmc s THR 112 Ca 0.17 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.65 2pmc s THR 112 Cb 0.01 -2.89 0.27 0.00 1.34 0.00 0.00 72.50 71.23 2pmc s THR 112 CO 0.12 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.10 2pmc h ALA 113 N 1.79 1.38 -0.14 3.99 0.00 -1.99 0.26 119.26 124.55 2pmc h ALA 113 Ca -0.43 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2pmc h ALA 113 Cb 1.25 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2pmc h ALA 113 CO 0.78 0.50 -0.06 0.00 0.00 0.00 0.00 179.25 180.47 2pmc h ALA 114 N 1.44 0.20 -0.37 0.00 0.00 -1.96 -0.07 119.26 118.49 2pmc h ALA 114 Ca 0.42 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2pmc h ALA 114 Cb 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2pmc h ALA 114 CO -0.15 -0.02 0.10 1.15 0.00 0.00 0.00 179.25 180.34 2pmc h THR 115 N -0.04 0.85 0.13 0.00 2.02 -1.83 0.44 112.91 114.48 2pmc h THR 115 Ca 0.03 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 2pmc h THR 115 Cb 0.51 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2pmc h THR 115 CO 0.02 0.04 -0.06 0.25 0.37 0.00 0.00 175.52 176.14 2pmc h LEU 116 N 0.24 -0.15 -0.55 2.58 5.85 -0.49 -1.30 115.31 121.50 2pmc h LEU 116 Ca 0.17 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2pmc h LEU 116 Cb 0.18 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2pmc h LEU 116 CO -0.20 -0.04 0.25 -0.08 -0.34 0.00 0.00 178.44 178.03 2pmc h GLU 117 N -0.25 0.46 -0.09 1.25 4.81 -0.72 0.57 114.58 120.61 2pmc h GLU 117 Ca -0.02 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 2pmc h GLU 117 Cb 0.20 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2pmc h GLU 117 CO 0.03 0.31 -0.31 0.93 -0.73 0.00 0.00 179.01 179.24 2pmc h GLU 118 N 0.47 0.18 0.00 1.92 5.08 0.02 0.84 114.58 123.09 2pmc h GLU 118 Ca 0.26 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.38 2pmc h GLU 118 Cb 0.22 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2pmc h GLU 118 CO -0.21 0.47 -1.01 0.87 -1.00 0.00 0.00 179.01 178.13 2pmc h LYS 119 N 0.16 0.00 0.03 2.33 1.79 -0.94 -3.28 116.57 116.66 2pmc h LYS 119 Ca 0.02 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2pmc h LYS 119 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2pmc h LYS 119 CO 0.05 0.62 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.94 2pmc h LEU 120 N 0.00 -0.04 -1.97 2.94 3.38 0.11 -3.28 115.31 116.46 2pmc h LEU 120 Ca -0.08 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2pmc h LEU 120 Cb 1.63 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 2pmc h LEU 120 CO 0.08 0.49 0.03 0.78 0.09 0.00 0.00 178.44 179.91 2pmc h ASN 121 N -0.58 0.04 -0.92 -0.43 2.35 0.51 -0.53 115.58 116.03 2pmc h ASN 121 Ca -0.00 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2pmc h ASN 121 Cb 0.53 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.84 2pmc h ASN 121 CO 0.01 0.03 0.59 0.11 -1.65 0.00 0.00 177.43 176.52 2pmc h LYS 122 N 0.05 1.11 -0.04 0.81 1.57 -1.63 -2.73 116.57 115.71 2pmc h LYS 122 Ca 0.02 -0.07 -0.21 0.00 -1.87 0.00 0.00 60.65 58.52 2pmc h LYS 122 Cb 0.01 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.07 2pmc h LYS 122 CO -0.00 0.74 -0.86 0.82 -0.57 0.00 0.00 179.45 179.57 2pmc h ILE 123 N 1.15 1.38 0.00 1.86 2.04 -1.18 -2.80 117.51 119.96 2pmc h ILE 123 Ca 0.37 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.91 2pmc h ILE 123 Cb 0.01 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2pmc h ILE 123 CO -0.12 0.69 0.00 -0.26 0.00 0.00 0.00 178.15 178.46 2pmc h PHE 124 N 0.27 0.00 0.16 1.37 0.04 -1.22 -2.71 116.94 114.84 2pmc h PHE 124 Ca -0.06 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.35 2pmc h PHE 124 Cb 1.48 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.63 2pmc h PHE 124 CO 0.06 0.00 -1.87 0.93 -0.60 0.00 0.00 178.31 176.83 2pmc h GLU 125 N 0.00 0.33 0.00 1.51 5.08 -1.22 0.44 114.58 120.72 2pmc h GLU 125 Ca 0.00 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 57.79 2pmc h GLU 125 Cb 0.17 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2pmc h GLU 125 CO 0.00 1.27 -0.03 -0.22 -1.00 0.00 0.00 179.01 179.03 2pmc h LYS 126 N 0.08 0.02 -0.00 2.33 3.64 -1.44 -3.28 116.57 117.91 2pmc h LYS 126 Ca -0.38 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2pmc h LYS 126 Cb 2.06 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 2pmc h LYS 126 CO 0.13 0.84 -0.06 1.28 -2.27 0.00 0.00 179.45 179.37 2pmc n LEU 127 N -4.67 0.14 -2.64 5.20 4.77 -1.03 -4.97 117.00 113.79 2pmc n LEU 127 Ca -0.10 0.27 -0.06 0.00 -0.03 0.00 0.00 56.01 56.09 2pmc n LEU 127 Cb 0.42 -0.32 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2pmc n LEU 127 CO 0.34 0.03 0.12 0.61 -1.33 0.00 0.00 177.39 177.16 2pmc n GLY 128 N 1.36 -0.71 0.05 -0.72 0.00 -1.05 -5.06 105.19 99.06 2pmc n GLY 128 Ca 0.12 0.29 0.01 0.00 0.00 0.00 0.00 46.02 46.43 2pmc n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35