#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mih n ASP 3 N 0.00 2.42 0.17 0.00 -0.08 -1.26 -4.80 116.55 113.00 1mih n ASP 3 Ca 0.00 0.67 0.12 0.00 -1.51 0.00 0.00 54.79 54.07 1mih n ASP 3 Cb 0.00 -1.25 0.62 0.00 2.34 0.00 0.00 41.12 42.83 1mih n ASP 3 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1mih h LYS 4 N 10.55 0.00 -0.01 -0.67 1.79 -1.98 -0.48 116.57 125.77 1mih h LYS 4 Ca -0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1mih h LYS 4 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1mih h LYS 4 CO 0.99 0.00 -0.03 0.39 -1.08 0.00 0.00 179.45 179.73 1mih n GLU 5 N -2.32 1.44 -1.66 3.15 -0.58 -1.26 -4.32 120.64 115.09 1mih n GLU 5 Ca -0.01 -0.73 -0.47 0.00 -0.42 0.00 0.00 57.16 55.54 1mih n GLU 5 Cb 0.07 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.42 1mih n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1mih n LEU 6 N -0.15 2.85 -4.67 -4.62 7.94 -0.19 -4.83 117.00 113.34 1mih n LEU 6 Ca 0.19 1.10 -0.40 0.00 -1.11 0.00 0.00 56.01 55.79 1mih n LEU 6 Cb 0.31 -1.39 -0.06 0.00 0.53 0.00 0.00 43.42 42.81 1mih n LEU 6 CO 0.18 -0.45 0.35 -0.75 -1.11 0.00 0.00 177.39 175.61 1mih s LYS 7 N 0.64 4.23 0.09 1.96 2.20 -1.26 -4.50 119.74 123.10 1mih s LYS 7 Ca 0.78 0.60 0.03 0.00 -0.36 0.00 0.00 55.97 57.03 1mih s LYS 7 Cb -0.72 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.00 1mih s LYS 7 CO 0.41 -0.19 0.07 -0.06 -0.36 0.00 0.00 175.35 175.22 1mih s PHE 8 N 1.74 3.15 -0.22 4.03 0.40 -0.14 -1.96 117.98 124.98 1mih s PHE 8 Ca 0.29 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 1mih s PHE 8 Cb -0.16 -1.60 0.05 0.00 0.51 0.00 0.00 43.02 41.83 1mih s PHE 8 CO 0.11 0.51 -0.07 -1.17 0.70 0.00 0.00 175.22 175.30 1mih s LEU 9 N -2.42 2.43 -0.26 -0.37 2.96 -0.91 -0.52 118.68 119.59 1mih s LEU 9 Ca 0.29 -1.05 -0.13 0.00 -0.22 0.00 0.00 54.13 53.02 1mih s LEU 9 Cb -0.12 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.34 1mih s LEU 9 CO 0.21 -0.20 0.30 -0.69 -1.32 0.00 0.00 176.35 174.66 1mih s VAL 10 N 1.40 5.23 -0.10 1.68 1.01 0.27 -1.52 120.40 128.38 1mih s VAL 10 Ca -0.04 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1mih s VAL 10 Cb -0.18 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1mih s VAL 10 CO -0.07 0.21 -0.24 -0.69 0.00 0.00 0.00 175.10 174.32 1mih s VAL 11 N 1.79 2.08 -0.29 2.92 1.01 0.20 -1.45 120.40 126.66 1mih s VAL 11 Ca 0.13 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 1mih s VAL 11 Cb -0.15 -1.79 0.16 0.00 0.00 0.00 0.00 36.38 34.59 1mih s VAL 11 CO 0.09 0.56 1.23 -0.62 0.00 0.00 0.00 175.10 176.36 1mih s ASP 12 N 0.38 -0.25 0.03 3.32 -1.08 -1.08 -0.54 116.67 117.45 1mih s ASP 12 Ca -0.18 0.48 0.19 0.00 -0.52 0.00 0.00 52.55 52.52 1mih s ASP 12 Cb -0.18 0.53 0.80 0.00 -1.46 0.00 0.00 42.92 42.61 1mih s ASP 12 CO 0.08 -0.08 1.60 -0.90 0.52 0.00 0.00 175.17 176.39 1mih n ASP 13 N 2.01 0.08 -4.28 -0.34 5.75 -1.18 -4.38 116.55 114.21 1mih n ASP 13 Ca -0.12 0.52 -0.33 0.00 -0.01 0.00 0.00 54.79 54.85 1mih n ASP 13 Cb 0.56 -0.53 -0.15 0.00 -1.03 0.00 0.00 41.12 39.97 1mih n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1mih s PHE 14 N -3.03 2.79 0.28 2.11 0.08 -1.26 -5.01 117.98 113.94 1mih s PHE 14 Ca 0.09 -0.97 -0.01 0.00 0.12 0.00 0.00 56.93 56.16 1mih s PHE 14 Cb 0.12 -1.89 0.46 0.00 -0.57 0.00 0.00 43.02 41.14 1mih s PHE 14 CO 0.35 -0.43 1.89 0.66 -0.10 0.00 0.00 175.22 177.59 1mih h SER 15 N 7.22 0.99 -0.72 1.36 4.64 -1.99 -2.66 113.55 122.39 1mih h SER 15 Ca -0.31 0.01 0.16 0.00 -0.47 0.00 0.00 61.79 61.18 1mih h SER 15 Cb 1.19 -0.20 -0.12 0.00 -0.31 0.00 0.00 62.40 62.97 1mih h SER 15 CO 0.57 0.63 0.10 0.74 -0.87 0.00 0.00 176.83 177.99 1mih h THR 16 N 1.12 0.45 -0.09 2.95 2.02 -1.97 0.32 112.91 117.71 1mih h THR 16 Ca 0.42 -0.06 -0.17 0.00 0.77 0.00 0.00 66.41 67.37 1mih h THR 16 Cb 0.20 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1mih h THR 16 CO -0.17 0.03 -0.68 -0.03 0.37 0.00 0.00 175.52 175.05 1mih h MET 17 N 0.19 0.37 -0.57 6.66 -1.53 -1.89 -2.24 114.93 115.92 1mih h MET 17 Ca 0.40 -0.28 -0.07 0.00 -3.44 0.00 0.00 59.70 56.31 1mih h MET 17 Cb 0.70 0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.78 1mih h MET 17 CO -0.57 0.91 0.09 0.00 0.14 0.00 0.00 176.91 177.49 1mih h ARG 18 N 0.26 0.91 -0.45 0.39 3.08 -0.86 -1.24 114.38 116.48 1mih h ARG 18 Ca -0.02 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 1mih h ARG 18 Cb 1.23 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1mih h ARG 18 CO 0.11 0.85 -0.14 -0.09 -1.07 0.00 0.00 179.97 179.63 1mih h ARG 19 N 0.87 0.83 -0.05 0.04 2.43 -0.34 0.11 114.38 118.27 1mih h ARG 19 Ca 0.18 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1mih h ARG 19 Cb 0.38 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1mih h ARG 19 CO 0.01 0.93 -0.00 0.82 -1.51 0.00 0.00 179.97 180.21 1mih h ILE 20 N 0.74 1.25 -0.48 1.20 2.04 -0.97 -1.57 117.51 119.73 1mih h ILE 20 Ca 0.12 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1mih h ILE 20 Cb 0.65 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1mih h ILE 20 CO 0.05 0.21 0.13 0.58 0.00 0.00 0.00 178.15 179.12 1mih h VAL 21 N -0.20 1.23 -0.07 1.67 2.07 -1.16 -2.15 116.25 117.65 1mih h VAL 21 Ca 0.02 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1mih h VAL 21 Cb 0.34 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1mih h VAL 21 CO 0.00 0.29 0.02 -0.09 0.02 0.00 0.00 177.57 177.82 1mih h ARG 22 N 0.65 0.06 -0.12 1.57 2.43 -0.76 -1.74 114.38 116.46 1mih h ARG 22 Ca 0.15 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1mih h ARG 22 Cb 0.31 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1mih h ARG 22 CO -0.00 0.04 -0.16 -0.91 -1.51 0.00 0.00 179.97 177.42 1mih h ASN 23 N 0.06 0.19 -0.36 -3.80 -0.26 -1.23 -2.30 115.58 107.87 1mih h ASN 23 Ca 0.03 -0.04 -0.17 0.00 -0.56 0.00 0.00 56.30 55.56 1mih h ASN 23 Cb 0.01 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 1mih h ASN 23 CO -0.03 0.37 -0.42 -0.07 -1.06 0.00 0.00 177.43 176.22 1mih h LEU 24 N 0.19 1.00 -1.18 1.61 3.38 -1.13 -2.53 115.31 116.64 1mih h LEU 24 Ca 0.04 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1mih h LEU 24 Cb 0.41 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1mih h LEU 24 CO 0.03 1.28 0.36 -0.07 0.09 0.00 0.00 178.44 180.13 1mih h LEU 25 N 0.75 0.82 -0.62 1.67 3.38 -1.01 -1.82 115.31 118.47 1mih h LEU 25 Ca 0.05 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1mih h LEU 25 Cb 1.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1mih h LEU 25 CO 0.10 0.67 0.37 0.50 0.09 0.00 0.00 178.44 180.17 1mih h LYS 26 N 0.93 0.84 -0.80 1.13 3.64 -1.15 0.50 116.57 121.67 1mih h LYS 26 Ca 0.24 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1mih h LYS 26 Cb 0.03 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 1mih h LYS 26 CO -0.04 0.60 0.51 0.93 -2.27 0.00 0.00 179.45 179.19 1mih h GLU 27 N 0.84 0.99 0.00 1.90 4.39 -0.93 -1.33 114.58 120.45 1mih h GLU 27 Ca 0.22 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1mih h GLU 27 Cb -0.02 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 1mih h GLU 27 CO -0.04 0.66 0.00 1.28 -1.16 0.00 0.00 179.01 179.74 1mih n LEU 28 N -4.57 0.00 0.00 1.33 4.77 -0.91 -4.85 117.00 112.76 1mih n LEU 28 Ca 0.09 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1mih n LEU 28 Cb 0.06 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1mih n LEU 28 CO 0.34 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1mih n GLY 29 N 0.49 1.12 3.25 -0.72 0.00 -0.50 -5.06 105.19 103.77 1mih n GLY 29 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1mih n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mih s PHE 30 N -2.00 3.29 -0.29 1.61 0.08 0.17 -4.75 117.98 116.09 1mih s PHE 30 Ca 0.00 -1.55 0.13 0.00 0.12 0.00 0.00 56.93 55.64 1mih s PHE 30 Cb 0.00 -2.40 -0.18 0.00 -0.57 0.00 0.00 43.02 39.87 1mih s PHE 30 CO 0.00 -0.77 0.42 0.09 -0.10 0.00 0.00 175.22 174.86 1mih n ASN 31 N 4.79 1.32 -4.50 1.36 3.02 -1.26 -2.57 115.26 117.43 1mih n ASN 31 Ca -0.12 -0.36 -0.43 0.00 -0.03 0.00 0.00 54.58 53.64 1mih n ASN 31 Cb 0.44 1.34 0.00 0.00 -0.61 0.00 0.00 39.78 40.95 1mih n ASN 31 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1mih n ASN 32 N -1.68 5.06 -4.00 6.41 5.15 -1.26 -4.91 115.26 120.03 1mih n ASN 32 Ca -0.00 -2.95 -0.23 0.00 -0.60 0.00 0.00 54.58 50.80 1mih n ASN 32 Cb 0.29 -1.66 -0.16 0.00 -0.53 0.00 0.00 39.78 37.71 1mih n ASN 32 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1mih s VAL 33 N 2.89 0.99 0.31 3.44 1.01 -1.26 -0.97 120.40 126.81 1mih s VAL 33 Ca 0.48 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 62.16 1mih s VAL 33 Cb 0.01 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1mih s VAL 33 CO 0.04 0.32 -0.05 -1.61 0.00 0.00 0.00 175.10 173.80 1mih s GLU 34 N 0.65 1.99 0.43 2.72 0.41 0.32 -4.96 118.70 120.26 1mih s GLU 34 Ca -0.13 -1.71 0.06 0.00 -0.41 0.00 0.00 54.97 52.78 1mih s GLU 34 Cb -0.15 -1.91 -0.06 0.00 -1.78 0.00 0.00 34.13 30.23 1mih s GLU 34 CO 0.03 0.23 0.04 -1.21 -0.49 0.00 0.00 175.26 173.85 1mih s GLU 35 N -3.65 2.03 -0.16 1.61 2.02 -1.26 -0.56 118.70 118.74 1mih s GLU 35 Ca 0.33 -2.11 -0.28 0.00 0.02 0.00 0.00 54.97 52.92 1mih s GLU 35 Cb -0.02 -1.68 0.08 0.00 0.10 0.00 0.00 34.13 32.61 1mih s GLU 35 CO 0.18 -0.11 0.73 0.00 0.02 0.00 0.00 175.26 176.08 1mih s ALA 36 N -2.72 -1.79 -0.45 5.21 0.00 -0.53 -4.83 121.76 116.65 1mih s ALA 36 Ca 0.32 1.64 0.23 0.00 0.00 0.00 0.00 51.96 54.15 1mih s ALA 36 Cb 0.08 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1mih s ALA 36 CO 0.17 -0.35 0.92 -0.85 0.00 0.00 0.00 175.76 175.65 1mih n GLU 37 N 1.67 0.40 -2.71 0.00 0.28 -1.26 -2.62 120.64 116.40 1mih n GLU 37 Ca -0.16 -0.02 -0.06 0.00 -0.16 0.00 0.00 57.16 56.76 1mih n GLU 37 Cb 0.56 -1.62 0.02 0.00 1.43 0.00 0.00 31.44 31.83 1mih n GLU 37 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1mih n ASP 38 N -2.13 -1.39 -0.11 -1.84 5.68 -1.26 -3.11 116.55 112.40 1mih n ASP 38 Ca 0.01 -1.98 -0.08 0.00 -0.50 0.00 0.00 54.79 52.23 1mih n ASP 38 Cb 0.48 2.32 0.00 0.00 -1.14 0.00 0.00 41.12 42.78 1mih n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1mih h GLY 39 N 1.21 0.49 0.94 6.12 0.00 -1.40 -2.18 103.07 108.26 1mih h GLY 39 Ca -0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1mih h GLY 39 CO 0.26 0.14 -0.08 -2.08 0.00 0.00 0.00 176.54 174.78 1mih h VAL 40 N 0.43 0.86 -0.88 4.60 2.07 -1.89 -1.23 116.25 120.21 1mih h VAL 40 Ca 0.14 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.64 1mih h VAL 40 Cb -0.00 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 1mih h VAL 40 CO -0.06 0.03 0.57 -0.78 0.02 0.00 0.00 177.57 177.34 1mih h ASP 41 N -0.29 0.75 -0.24 0.57 3.58 -1.96 -1.05 116.42 117.79 1mih h ASP 41 Ca -0.02 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 1mih h ASP 41 Cb 0.22 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 1mih h ASP 41 CO 0.04 0.43 -0.32 0.00 -2.88 0.00 0.00 179.24 176.51 1mih h ALA 42 N 1.57 0.37 -0.57 -0.78 0.00 -1.11 -2.64 119.26 116.09 1mih h ALA 42 Ca 0.42 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1mih h ALA 42 Cb 0.48 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1mih h ALA 42 CO -0.18 0.40 0.21 -0.07 0.00 0.00 0.00 179.25 179.62 1mih h LEU 43 N 0.36 0.77 0.69 0.00 3.38 -0.53 0.12 115.31 120.10 1mih h LEU 43 Ca 0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1mih h LEU 43 Cb 0.90 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1mih h LEU 43 CO 0.08 0.70 -0.36 0.78 0.09 0.00 0.00 178.44 179.73 1mih h ASN 44 N 0.83 -0.86 -0.85 -0.43 -0.26 -1.13 0.99 115.58 113.87 1mih h ASN 44 Ca 0.19 0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.99 1mih h ASN 44 Cb 0.19 0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 37.64 1mih h ASN 44 CO -0.02 -0.59 0.56 0.11 -1.06 0.00 0.00 177.43 176.44 1mih h LYS 45 N -0.97 1.10 -0.42 0.81 1.57 -1.31 -0.22 116.57 117.14 1mih h LYS 45 Ca -0.09 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1mih h LYS 45 Cb 0.75 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1mih h LYS 45 CO 0.14 0.72 0.15 -0.07 -0.57 0.00 0.00 179.45 179.82 1mih h LEU 46 N 1.13 0.54 -1.80 2.94 3.38 -0.73 -0.65 115.31 120.12 1mih h LEU 46 Ca 0.32 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1mih h LEU 46 Cb -0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1mih h LEU 46 CO -0.08 0.51 0.09 -0.61 0.09 0.00 0.00 178.44 178.44 1mih h GLN 47 N 0.59 0.22 -0.57 1.13 4.15 0.10 -1.05 115.11 119.68 1mih h GLN 47 Ca 0.14 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1mih h GLN 47 Cb 0.15 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1mih h GLN 47 CO -0.01 0.16 0.00 0.00 -1.93 0.00 0.00 178.83 177.05 1mih n ALA 48 N -2.51 2.32 -0.98 3.38 0.00 -0.25 -4.98 120.51 117.49 1mih n ALA 48 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1mih n ALA 48 Cb 0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 1mih n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mih n GLY 49 N 0.17 -1.34 0.00 0.00 0.00 -0.40 -4.93 105.19 98.69 1mih n GLY 49 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1mih n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mih n GLY 50 N -3.19 2.38 3.75 -0.02 0.00 -1.26 -4.94 105.19 101.90 1mih n GLY 50 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1mih n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mih s TYR 51 N -2.68 3.91 0.00 1.61 2.02 -1.26 -4.52 117.35 116.43 1mih s TYR 51 Ca 0.00 1.87 0.00 0.00 -0.37 0.00 0.00 57.07 58.57 1mih s TYR 51 Cb 0.00 -3.03 0.00 0.00 -0.40 0.00 0.00 41.96 38.53 1mih s TYR 51 CO 0.00 0.28 0.55 0.41 -1.57 0.00 0.00 175.55 175.22 1mih n GLY 52 N 1.61 -0.33 3.62 0.71 0.00 -0.83 -4.98 105.19 105.00 1mih n GLY 52 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1mih n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mih s PHE 53 N -0.21 -0.66 -0.06 1.61 2.19 -1.16 -4.41 117.98 115.29 1mih s PHE 53 Ca 0.00 1.57 0.01 0.00 0.33 0.00 0.00 56.93 58.84 1mih s PHE 53 Cb 0.00 0.32 0.02 0.00 -1.31 0.00 0.00 43.02 42.05 1mih s PHE 53 CO 0.00 -0.34 -0.06 0.08 1.83 0.00 0.00 175.22 176.73 1mih s VAL 54 N 0.17 0.68 -0.17 3.12 1.01 0.97 -2.15 120.40 124.04 1mih s VAL 54 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1mih s VAL 54 Cb -0.05 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 1mih s VAL 54 CO -0.01 0.27 -0.12 -0.63 0.00 0.00 0.00 175.10 174.61 1mih s ILE 55 N 1.05 2.91 0.03 2.22 1.01 -0.57 -0.15 121.20 127.70 1mih s ILE 55 Ca -0.09 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1mih s ILE 55 Cb -0.14 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 1mih s ILE 55 CO -0.01 0.49 -0.05 -0.55 0.00 0.00 0.00 174.94 174.83 1mih s SER 56 N 0.93 0.52 0.77 3.58 0.15 -0.25 -0.63 113.70 118.77 1mih s SER 56 Ca -0.02 -0.51 -0.08 0.00 0.70 0.00 0.00 55.95 56.04 1mih s SER 56 Cb -0.15 0.07 0.10 0.00 -1.71 0.00 0.00 66.02 64.33 1mih s SER 56 CO -0.01 -0.25 1.09 -0.62 1.20 0.00 0.00 173.24 174.66 1mih s ASP 57 N -1.47 4.34 -0.00 5.45 2.15 0.30 -0.30 116.67 127.14 1mih s ASP 57 Ca -0.13 0.32 -0.00 0.00 0.43 0.00 0.00 52.55 53.17 1mih s ASP 57 Cb -0.10 -0.78 -0.00 0.00 -0.30 0.00 0.00 42.92 41.74 1mih s ASP 57 CO -0.00 -1.92 -0.01 1.87 -0.17 0.00 0.00 175.17 174.94 1mih n TRP 58 N -3.13 0.00 -2.13 -5.34 -0.00 -1.26 -3.47 117.44 102.11 1mih n TRP 58 Ca 0.11 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.18 1mih n TRP 58 Cb 0.60 -0.01 -0.02 0.00 -0.00 0.00 0.00 31.31 31.88 1mih n TRP 58 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 1mih s ARG 59 N -1.03 3.44 -0.03 5.87 1.81 -1.26 0.09 118.95 127.84 1mih s ARG 59 Ca -0.00 1.26 -0.22 0.00 -1.72 0.00 0.00 55.73 55.05 1mih s ARG 59 Cb 0.00 -4.13 0.04 0.00 -0.45 0.00 0.00 34.95 30.41 1mih s ARG 59 CO 0.01 -1.73 0.46 -1.64 -0.68 0.00 0.00 175.30 171.72 1mih s MET 60 N 5.36 0.84 0.72 3.54 -1.94 -1.26 -4.63 119.30 121.93 1mih s MET 60 Ca 0.73 -0.01 -0.11 0.00 -1.71 0.00 0.00 55.69 54.58 1mih s MET 60 Cb -0.19 0.38 0.02 0.00 2.01 0.00 0.00 34.83 37.05 1mih s MET 60 CO 0.33 -0.25 1.10 -1.25 -0.01 0.00 0.00 175.02 174.94 1mih s PRO 61 N -1.30 2.76 0.00 2.03 0.04 -1.26 -3.78 135.00 133.49 1mih s PRO 61 Ca -0.12 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1mih s PRO 61 Cb -0.03 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1mih s PRO 61 CO 0.06 -1.12 0.00 0.09 0.04 0.00 0.00 177.00 176.08 1mih n ASN 62 N -3.07 0.00 -3.59 6.66 3.02 -1.26 -4.36 115.26 112.66 1mih n ASN 62 Ca 0.07 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.59 1mih n ASN 62 Cb 0.57 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.68 1mih n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1mih s MET 63 N 0.00 0.50 0.94 3.52 1.75 -1.26 -4.86 119.30 119.88 1mih s MET 63 Ca 0.00 1.26 -0.15 0.00 -1.25 0.00 0.00 55.69 55.55 1mih s MET 63 Cb 0.00 0.64 0.18 0.00 2.84 0.00 0.00 34.83 38.50 1mih s MET 63 CO 0.00 -0.27 1.30 0.16 -0.65 0.00 0.00 175.02 175.56 1mih s ASP 64 N 2.80 3.31 0.29 1.11 1.47 -1.25 -1.31 116.67 123.10 1mih s ASP 64 Ca -0.02 0.32 -0.02 0.00 1.18 0.00 0.00 52.55 54.01 1mih s ASP 64 Cb -0.12 -0.42 0.42 0.00 -0.34 0.00 0.00 42.92 42.46 1mih s ASP 64 CO -0.17 -2.61 1.92 1.23 0.68 0.00 0.00 175.17 176.21 1mih h GLY 65 N -1.55 1.07 0.75 2.12 0.00 -0.37 -1.06 103.07 104.03 1mih h GLY 65 Ca -0.44 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 1mih h GLY 65 CO 0.41 0.45 0.00 -2.00 0.00 0.00 0.00 176.54 175.41 1mih h LEU 66 N 1.01 0.04 -0.92 3.11 6.46 -1.85 -0.39 115.31 122.77 1mih h LEU 66 Ca 0.26 -0.26 0.06 0.00 -0.12 0.00 0.00 57.88 57.82 1mih h LEU 66 Cb 0.02 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 39.88 1mih h LEU 66 CO -0.04 0.29 0.58 -0.33 -0.62 0.00 0.00 178.44 178.32 1mih h GLU 67 N -0.22 1.03 -0.51 1.25 4.39 -1.92 0.37 114.58 118.97 1mih h GLU 67 Ca 0.01 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 1mih h GLU 67 Cb 0.27 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1mih h GLU 67 CO 0.00 0.68 0.01 1.25 -1.16 0.00 0.00 179.01 179.79 1mih h LEU 68 N 1.06 0.88 -0.51 1.33 5.85 -1.00 -0.78 115.31 122.13 1mih h LEU 68 Ca 0.40 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1mih h LEU 68 Cb 0.17 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1mih h LEU 68 CO -0.17 0.97 0.17 0.25 -0.34 0.00 0.00 178.44 179.32 1mih h LEU 69 N 0.77 0.74 -1.07 2.25 5.85 -0.35 -0.75 115.31 122.75 1mih h LEU 69 Ca 0.15 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 1mih h LEU 69 Cb 0.52 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1mih h LEU 69 CO 0.03 0.73 0.06 0.11 -0.34 0.00 0.00 178.44 179.03 1mih h LYS 70 N 0.70 0.73 0.26 1.25 1.57 -0.76 -0.80 116.57 119.52 1mih h LYS 70 Ca 0.17 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1mih h LYS 70 Cb 0.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1mih h LYS 70 CO -0.01 0.70 -0.13 1.15 -0.57 0.00 0.00 179.45 180.59 1mih h THR 71 N 0.70 0.79 0.19 -0.16 2.02 -0.75 -0.80 112.91 114.89 1mih h THR 71 Ca 0.15 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.84 1mih h THR 71 Cb 0.33 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1mih h THR 71 CO 0.01 0.11 -0.35 0.40 0.37 0.00 0.00 175.52 176.05 1mih h ILE 72 N -0.62 0.27 -0.25 3.11 5.03 -0.96 -2.38 117.51 121.70 1mih h ILE 72 Ca -0.04 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.78 1mih h ILE 72 Cb 0.45 0.27 -0.01 0.00 -3.03 0.00 0.00 36.82 34.50 1mih h ILE 72 CO 0.06 0.00 0.19 0.03 -0.68 0.00 0.00 178.15 177.75 1mih h ARG 73 N -0.62 0.00 0.00 2.37 2.47 -1.17 -1.82 114.38 115.61 1mih h ARG 73 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1mih h ARG 73 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1mih h ARG 73 CO -0.16 0.00 -0.13 0.00 0.56 0.00 0.00 179.97 180.24 1mih n ALA 74 N -2.58 2.47 -2.59 0.04 0.00 -0.31 -4.59 120.51 112.95 1mih n ALA 74 Ca 0.03 -0.09 -0.39 0.00 0.00 0.00 0.00 53.44 52.99 1mih n ALA 74 Cb 0.34 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 1mih n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1mih s ASP 75 N -4.07 6.16 0.37 0.00 3.68 -0.69 -4.97 116.67 117.15 1mih s ASP 75 Ca 0.11 0.12 0.25 0.00 2.13 0.00 0.00 52.55 55.15 1mih s ASP 75 Cb 0.14 -2.18 1.34 0.00 -1.45 0.00 0.00 42.92 40.78 1mih s ASP 75 CO 0.61 -0.15 1.76 1.23 0.13 0.00 0.00 175.17 178.74 1mih h GLY 76 N 8.54 0.00 0.40 2.66 0.00 -1.86 0.61 103.07 113.41 1mih h GLY 76 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1mih h GLY 76 CO 0.62 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 176.87 1mih n ALA 77 N -1.82 3.13 -1.85 3.60 0.00 -1.26 -4.39 120.51 117.92 1mih n ALA 77 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1mih n ALA 77 Cb 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1mih n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mih n MET 78 N -0.80 0.00 0.08 0.00 0.00 -0.49 -4.97 117.12 110.94 1mih n MET 78 Ca 0.11 -0.20 0.20 0.00 0.00 0.00 0.00 57.70 57.81 1mih n MET 78 Cb 0.34 -0.14 0.74 0.00 0.00 0.00 0.00 33.22 34.17 1mih n MET 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1mih h SER 79 N 0.00 0.00 -0.57 3.17 4.64 0.19 -0.82 113.55 120.16 1mih h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mih h SER 79 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1mih h SER 79 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1mih n ALA 80 N -2.47 2.41 -1.79 5.18 0.00 -1.26 -4.50 120.51 118.08 1mih n ALA 80 Ca 0.07 -1.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.00 1mih n ALA 80 Cb 0.55 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1mih n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1mih s LEU 81 N -1.17 4.00 -0.20 0.00 2.96 -0.31 -4.89 118.68 119.07 1mih s LEU 81 Ca 0.42 2.15 -0.35 0.00 -0.22 0.00 0.00 54.13 56.13 1mih s LEU 81 Cb 0.23 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 43.27 1mih s LEU 81 CO 0.31 -1.36 1.95 -2.65 -1.32 0.00 0.00 176.35 173.28 1mih n PRO 82 N 7.90 1.69 -4.08 0.98 -0.02 -1.26 -4.85 135.00 135.36 1mih n PRO 82 Ca 0.22 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.96 1mih n PRO 82 Cb 0.43 -2.53 -0.15 0.00 -0.02 0.00 0.00 33.50 31.23 1mih n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mih s VAL 83 N 5.06 2.18 -0.32 -1.45 1.01 -1.25 -0.02 120.40 125.60 1mih s VAL 83 Ca 0.99 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1mih s VAL 83 Cb -0.79 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1mih s VAL 83 CO 0.53 0.14 0.18 -0.22 0.00 0.00 0.00 175.10 175.73 1mih s LEU 84 N 1.16 4.25 -0.06 3.92 2.96 0.79 -0.87 118.68 130.83 1mih s LEU 84 Ca -0.05 -0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 53.06 1mih s LEU 84 Cb -0.18 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 1mih s LEU 84 CO -0.07 -0.21 1.00 -0.04 -1.32 0.00 0.00 176.35 175.71 1mih s MET 85 N 1.64 4.48 -0.42 1.98 -1.94 -0.98 -1.09 119.30 122.97 1mih s MET 85 Ca 0.05 1.41 0.02 0.00 -1.71 0.00 0.00 55.69 55.46 1mih s MET 85 Cb -0.17 -3.51 0.12 0.00 2.01 0.00 0.00 34.83 33.29 1mih s MET 85 CO 0.08 -0.21 0.20 0.08 -0.01 0.00 0.00 175.02 175.15 1mih s VAL 86 N 1.59 1.59 0.24 -6.03 1.01 0.59 0.29 120.40 119.68 1mih s VAL 86 Ca 0.50 -2.44 0.01 0.00 0.00 0.00 0.00 61.98 60.05 1mih s VAL 86 Cb -0.20 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1mih s VAL 86 CO 0.22 -0.81 0.08 0.28 0.00 0.00 0.00 175.10 174.87 1mih s THR 87 N 0.54 0.58 -2.02 3.92 -1.32 -0.36 -4.01 115.64 112.97 1mih s THR 87 Ca 0.15 -2.00 0.24 0.00 -1.21 0.00 0.00 61.69 58.88 1mih s THR 87 Cb -0.23 -2.55 0.12 0.00 -1.51 0.00 0.00 72.50 68.33 1mih s THR 87 CO -0.05 -0.08 1.29 0.00 -2.21 0.00 0.00 174.62 173.56 1mih n ALA 88 N -0.43 3.30 -2.22 11.08 0.00 -1.26 0.99 120.51 131.97 1mih n ALA 88 Ca -0.01 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 1mih n ALA 88 Cb 0.66 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 1mih n ALA 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1mih s GLU 89 N -2.44 3.32 0.00 0.00 2.56 -1.26 -4.76 118.70 116.13 1mih s GLU 89 Ca 0.22 0.93 0.10 0.00 0.00 0.00 0.00 54.97 56.22 1mih s GLU 89 Cb 0.19 -4.14 -0.01 0.00 2.00 0.00 0.00 34.13 32.16 1mih s GLU 89 CO 0.53 -1.88 0.62 0.00 -0.56 0.00 0.00 175.26 173.97 1mih n ALA 90 N 9.91 2.87 -1.79 6.30 0.00 -1.26 -4.81 120.51 131.72 1mih n ALA 90 Ca 0.18 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.78 1mih n ALA 90 Cb 0.48 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 1mih n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1mih s LYS 91 N -1.41 4.22 0.52 0.00 1.02 -1.26 -4.85 119.74 117.98 1mih s LYS 91 Ca 0.08 2.41 0.17 0.00 0.02 0.00 0.00 55.97 58.65 1mih s LYS 91 Cb 0.08 -3.03 1.30 0.00 -0.52 0.00 0.00 37.83 35.66 1mih s LYS 91 CO 0.27 -0.40 2.14 0.87 -0.92 0.00 0.00 175.35 177.31 1mih h LYS 92 N 3.58 0.00 0.00 1.68 1.79 -1.99 0.45 116.57 122.08 1mih h LYS 92 Ca -0.49 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.97 1mih h LYS 92 Cb 1.23 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1mih h LYS 92 CO 0.68 0.02 -0.04 0.93 -1.08 0.00 0.00 179.45 179.96 1mih h GLU 93 N 0.00 0.00 0.11 3.15 4.39 -1.99 -0.76 114.58 119.48 1mih h GLU 93 Ca -0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1mih h GLU 93 Cb 0.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1mih h GLU 93 CO 0.00 0.04 -1.29 -0.91 -1.16 0.00 0.00 179.01 175.69 1mih h ASN 94 N 0.00 0.36 -0.53 1.42 2.35 -1.29 -2.72 115.58 115.17 1mih h ASN 94 Ca -0.00 -0.85 -0.01 0.00 -0.55 0.00 0.00 56.30 54.89 1mih h ASN 94 Cb 0.32 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 1mih h ASN 94 CO 0.01 1.57 0.31 0.40 -1.65 0.00 0.00 177.43 178.06 1mih h ILE 95 N -0.37 1.16 -0.20 2.81 2.04 -1.10 -0.77 117.51 121.07 1mih h ILE 95 Ca -0.28 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1mih h ILE 95 Cb 1.70 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1mih h ILE 95 CO 0.05 0.18 -0.06 0.40 0.00 0.00 0.00 178.15 178.72 1mih h ILE 96 N 0.76 1.29 -0.38 -0.67 2.04 -1.25 -0.89 117.51 118.40 1mih h ILE 96 Ca 0.20 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 1mih h ILE 96 Cb 0.00 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1mih h ILE 96 CO -0.03 0.32 0.23 0.00 0.00 0.00 0.00 178.15 178.66 1mih h ALA 97 N 0.73 0.48 -0.40 1.87 0.00 -1.06 0.27 119.26 121.15 1mih h ALA 97 Ca 0.05 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1mih h ALA 97 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1mih h ALA 97 CO 0.02 -0.02 -0.27 0.00 0.00 0.00 0.00 179.25 178.98 1mih h ALA 98 N 1.10 0.76 -0.31 0.00 0.00 -1.18 -0.46 119.26 119.18 1mih h ALA 98 Ca 0.14 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1mih h ALA 98 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1mih h ALA 98 CO -0.03 0.66 0.02 0.00 0.00 0.00 0.00 179.25 179.90 1mih h ALA 99 N 0.97 0.41 -0.34 0.00 0.00 -0.82 0.19 119.26 119.67 1mih h ALA 99 Ca 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1mih h ALA 99 Cb 0.82 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1mih h ALA 99 CO 0.07 0.14 -0.05 1.96 0.00 0.00 0.00 179.25 181.37 1mih h GLN 100 N 0.33 0.54 0.00 0.00 1.08 -0.36 -1.75 115.11 114.95 1mih h GLN 100 Ca 0.09 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1mih h GLN 100 Cb 0.41 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1mih h GLN 100 CO 0.01 0.61 0.00 0.00 -0.95 0.00 0.00 178.83 178.50 1mih n ALA 101 N -2.48 1.93 0.00 3.87 0.00 -0.19 -4.85 120.51 118.80 1mih n ALA 101 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1mih n ALA 101 Cb 0.28 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1mih n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mih n GLY 102 N 0.27 1.45 3.76 0.00 0.00 -0.66 -4.67 105.19 105.34 1mih n GLY 102 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1mih n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mih s ALA 103 N -2.00 3.65 0.13 4.61 0.00 0.03 -4.84 121.76 123.34 1mih s ALA 103 Ca 0.00 1.47 -0.02 0.00 0.00 0.00 0.00 51.96 53.41 1mih s ALA 103 Cb 0.00 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 1mih s ALA 103 CO 0.00 -0.89 1.30 0.77 0.00 0.00 0.00 175.76 176.93 1mih h SER 104 N 4.32 0.41 -5.02 0.00 0.02 -1.34 -3.45 113.55 108.48 1mih h SER 104 Ca -0.48 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.10 1mih h SER 104 Cb 1.22 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1mih h SER 104 CO 0.74 1.17 0.25 -0.83 -1.14 0.00 0.00 176.83 177.02 1mih s GLY 105 N -4.50 0.36 -0.27 -3.77 0.00 -1.23 -4.89 107.32 93.02 1mih s GLY 105 Ca -0.04 -0.73 -0.09 0.00 0.00 0.00 0.00 44.72 43.86 1mih s GLY 105 CO 0.86 -0.31 0.59 -0.47 0.00 0.00 0.00 173.10 173.76 1mih s TYR 106 N -2.55 -1.22 -0.04 1.90 5.04 -1.26 -2.32 117.35 116.91 1mih s TYR 106 Ca 0.16 2.13 0.06 0.00 -2.44 0.00 0.00 57.07 56.97 1mih s TYR 106 Cb -0.05 0.68 -0.02 0.00 0.35 0.00 0.00 41.96 42.92 1mih s TYR 106 CO 0.11 -0.63 -0.22 0.08 -1.34 0.00 0.00 175.55 173.55 1mih s VAL 107 N 2.83 2.35 -0.05 3.14 1.01 0.14 -4.96 120.40 124.85 1mih s VAL 107 Ca -0.05 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1mih s VAL 107 Cb -0.12 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1mih s VAL 107 CO -0.17 0.58 0.07 0.68 0.00 0.00 0.00 175.10 176.25 1mih s VAL 108 N -0.49 4.76 0.17 2.92 -7.23 -1.25 -1.23 120.40 118.05 1mih s VAL 108 Ca 0.06 -0.23 -0.20 0.00 -1.81 0.00 0.00 61.98 59.80 1mih s VAL 108 Cb -0.11 -3.10 -0.08 0.00 0.56 0.00 0.00 36.38 33.65 1mih s VAL 108 CO 0.01 0.49 0.68 -0.54 -0.31 0.00 0.00 175.10 175.43 1mih s LYS 109 N -1.32 4.27 0.41 4.82 1.02 0.28 -3.63 119.74 125.59 1mih s LYS 109 Ca 0.18 0.85 -0.18 0.00 0.02 0.00 0.00 55.97 56.84 1mih s LYS 109 Cb -0.12 -3.03 -0.10 0.00 -0.52 0.00 0.00 37.83 34.06 1mih s LYS 109 CO 0.08 0.49 0.88 -1.25 -0.92 0.00 0.00 175.35 174.64 1mih s PRO 110 N -1.64 4.10 0.28 -1.68 0.04 -1.26 -4.64 135.00 130.19 1mih s PRO 110 Ca 0.38 0.93 0.06 0.00 0.04 0.00 0.00 61.00 62.42 1mih s PRO 110 Cb -0.18 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 32.04 1mih s PRO 110 CO 0.21 -0.01 -0.05 -0.59 0.04 0.00 0.00 177.00 176.60 1mih s PHE 111 N -2.20 1.95 0.34 0.56 -0.12 -1.24 -5.16 117.98 112.10 1mih s PHE 111 Ca 0.59 -0.71 0.07 0.00 -0.05 0.00 0.00 56.93 56.82 1mih s PHE 111 Cb -0.10 -1.12 -0.01 0.00 -0.63 0.00 0.00 43.02 41.17 1mih s PHE 111 CO 0.18 0.27 0.48 0.95 -0.05 0.00 0.00 175.22 177.04 1mih s THR 112 N -3.03 4.03 0.12 -4.49 -4.23 -1.26 -5.00 115.64 101.78 1mih s THR 112 Ca 0.30 -0.99 -0.22 0.00 -1.18 0.00 0.00 61.69 59.59 1mih s THR 112 Cb 0.04 -3.39 -0.06 0.00 1.34 0.00 0.00 72.50 70.43 1mih s THR 112 CO 0.12 -0.15 1.69 0.00 -0.54 0.00 0.00 174.62 175.74 1mih h ALA 113 N 0.88 -0.03 -0.87 3.99 0.00 -2.01 -2.33 119.26 118.88 1mih h ALA 113 Ca -0.45 0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.59 1mih h ALA 113 Cb 1.26 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 1mih h ALA 113 CO 0.52 -0.56 0.51 0.00 0.00 0.00 0.00 179.25 179.72 1mih h ALA 114 N 0.93 1.26 -0.76 0.00 0.00 -1.99 -1.95 119.26 116.75 1mih h ALA 114 Ca 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1mih h ALA 114 Cb 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1mih h ALA 114 CO -0.16 0.13 0.40 1.15 0.00 0.00 0.00 179.25 180.77 1mih h THR 115 N 0.84 1.23 -0.28 0.00 2.02 -1.82 -0.96 112.91 113.95 1mih h THR 115 Ca 0.42 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 1mih h THR 115 Cb 0.39 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1mih h THR 115 CO -0.25 0.26 -0.01 0.25 0.37 0.00 0.00 175.52 176.15 1mih h LEU 116 N 1.05 0.48 -0.73 2.58 5.85 -1.01 -1.65 115.31 121.88 1mih h LEU 116 Ca 0.26 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1mih h LEU 116 Cb 0.06 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1mih h LEU 116 CO -0.04 0.68 0.45 -0.08 -0.34 0.00 0.00 178.44 179.11 1mih h GLU 117 N 0.27 0.98 0.15 1.25 4.81 -1.14 -0.28 114.58 120.62 1mih h GLU 117 Ca 0.08 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1mih h GLU 117 Cb 0.43 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1mih h GLU 117 CO 0.02 0.69 -0.07 0.93 -0.73 0.00 0.00 179.01 179.84 1mih h GLU 118 N 0.99 -0.20 -0.03 1.92 5.08 -1.07 0.42 114.58 121.70 1mih h GLU 118 Ca 0.26 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1mih h GLU 118 Cb -0.05 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1mih h GLU 118 CO -0.05 -0.08 -0.10 0.87 -1.00 0.00 0.00 179.01 178.65 1mih h LYS 119 N -0.26 0.05 -0.01 2.33 1.79 -1.12 0.19 116.57 119.54 1mih h LYS 119 Ca -0.02 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 1mih h LYS 119 Cb 0.20 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1mih h LYS 119 CO 0.03 0.15 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.27 1mih h LEU 120 N 0.05 0.21 -1.50 2.94 3.38 -0.73 -2.72 115.31 116.95 1mih h LEU 120 Ca 0.01 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.23 1mih h LEU 120 Cb 0.20 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1mih h LEU 120 CO 0.01 0.92 0.14 0.78 0.09 0.00 0.00 178.44 180.37 1mih h ASN 121 N -0.47 0.42 -0.47 -0.43 2.35 -0.61 -0.52 115.58 115.85 1mih h ASN 121 Ca -0.02 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 1mih h ASN 121 Cb 0.94 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 1mih h ASN 121 CO 0.04 0.39 0.16 0.50 -1.65 0.00 0.00 177.43 176.87 1mih h LYS 122 N 0.47 0.79 0.28 0.81 3.64 -0.60 -0.05 116.57 121.91 1mih h LYS 122 Ca 0.12 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1mih h LYS 122 Cb 0.10 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1mih h LYS 122 CO -0.01 0.69 -0.13 0.82 -2.27 0.00 0.00 179.45 178.54 1mih h ILE 123 N 0.77 0.68 -1.00 2.00 1.08 -0.83 -1.99 117.51 118.22 1mih h ILE 123 Ca 0.18 -0.75 0.23 0.00 -0.39 0.00 0.00 64.86 64.12 1mih h ILE 123 Cb 0.24 1.04 -0.10 0.00 -3.07 0.00 0.00 36.82 34.93 1mih h ILE 123 CO -0.01 0.14 0.63 -0.26 -0.69 0.00 0.00 178.15 177.96 1mih h PHE 124 N -0.83 0.83 -0.34 1.37 0.04 -0.97 -0.33 116.94 116.71 1mih h PHE 124 Ca -0.04 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 1mih h PHE 124 Cb 0.51 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1mih h PHE 124 CO 0.04 0.13 -0.34 1.49 -0.60 0.00 0.00 178.31 179.03 1mih h GLU 125 N 0.54 0.83 -0.58 1.51 4.57 -0.91 0.36 114.58 120.89 1mih h GLU 125 Ca 0.58 -0.44 -0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1mih h GLU 125 Cb 1.22 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 1mih h GLU 125 CO -0.33 1.07 0.09 -0.22 -1.18 0.00 0.00 179.01 178.45 1mih h LYS 126 N 0.61 0.93 -0.10 1.92 1.63 -0.31 -3.04 116.57 118.21 1mih h LYS 126 Ca 0.05 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1mih h LYS 126 Cb 0.93 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 1mih h LYS 126 CO 0.08 0.86 0.00 1.28 -3.45 0.00 0.00 179.45 178.23 1mih n LEU 127 N -4.23 2.31 -2.45 5.20 4.77 -0.63 -4.97 117.00 117.00 1mih n LEU 127 Ca 0.04 -0.84 -0.14 0.00 -0.03 0.00 0.00 56.01 55.04 1mih n LEU 127 Cb 0.27 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1mih n LEU 127 CO 0.42 0.42 0.13 0.61 -1.33 0.00 0.00 177.39 177.63 1mih n GLY 128 N 1.27 -0.00 0.82 -0.72 0.00 -0.42 -5.06 105.19 101.09 1mih n GLY 128 Ca 0.17 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1mih n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35