#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roz s SER 2 N 0.00 -0.63 0.12 1.61 0.15 -1.26 -5.18 113.70 108.52 2roz s SER 2 Ca 0.00 0.83 -0.25 0.00 0.70 0.00 0.00 55.95 57.23 2roz s SER 2 Cb 0.00 1.70 0.07 0.00 -1.71 0.00 0.00 66.02 66.09 2roz s SER 2 CO 0.00 -0.12 0.75 -0.55 1.20 0.00 0.00 173.24 174.52 2roz s SER 3 N 2.52 -0.41 0.00 5.45 0.15 -1.26 -5.16 113.70 114.98 2roz s SER 3 Ca -0.02 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2roz s SER 3 Cb -0.07 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2roz s SER 3 CO -0.17 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 173.98 2roz n GLY 4 N -0.36 2.98 3.15 9.45 0.00 -1.26 -5.15 105.19 114.01 2roz n GLY 4 Ca -0.11 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.85 2roz n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2roz s SER 5 N 0.00 -1.50 -0.30 1.61 0.15 -1.26 -5.14 113.70 107.26 2roz s SER 5 Ca 0.00 -0.03 -0.17 0.00 0.70 0.00 0.00 55.95 56.45 2roz s SER 5 Cb 0.00 1.94 0.19 0.00 -1.71 0.00 0.00 66.02 66.44 2roz s SER 5 CO 0.00 -0.25 1.20 -0.55 1.20 0.00 0.00 173.24 174.84 2roz s SER 6 N 2.61 -0.18 0.00 5.45 0.15 -1.26 -5.16 113.70 115.31 2roz s SER 6 Ca 0.13 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2roz s SER 6 Cb -0.08 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 2roz s SER 6 CO -0.22 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2roz n GLY 7 N 3.07 0.80 3.77 9.45 0.00 -1.26 -5.06 105.19 115.97 2roz n GLY 7 Ca -0.17 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 2roz n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roz s PRO 8 N -4.30 0.06 0.00 1.61 0.04 -1.26 -5.09 135.00 126.06 2roz s PRO 8 Ca 0.00 -0.12 0.04 0.00 0.04 0.00 0.00 61.00 60.95 2roz s PRO 8 Cb 0.00 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.78 2roz s PRO 8 CO 0.00 -2.85 -0.12 0.95 0.04 0.00 0.00 177.00 175.02 2roz s THR 9 N -3.42 0.92 0.85 1.26 -4.23 -1.26 -5.15 115.64 104.61 2roz s THR 9 Ca 0.70 -0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 2roz s THR 9 Cb -0.08 -0.80 0.10 0.00 1.34 0.00 0.00 72.50 73.06 2roz s THR 9 CO 0.54 0.17 1.11 -2.16 -0.54 0.00 0.00 174.62 173.74 2roz s PRO 10 N -0.52 1.68 -0.64 3.99 0.04 -1.26 -5.01 135.00 133.28 2roz s PRO 10 Ca 0.03 0.49 0.04 0.00 0.04 0.00 0.00 61.00 61.60 2roz s PRO 10 Cb -0.05 -1.88 0.32 0.00 0.04 0.00 0.00 34.50 32.92 2roz s PRO 10 CO -0.00 -1.87 1.00 1.63 0.04 0.00 0.00 177.00 177.80 2roz n LYS 11 N -3.57 3.33 -2.18 4.56 4.01 -1.26 -5.06 118.16 117.98 2roz n LYS 11 Ca 0.07 -4.81 -0.41 0.00 -0.51 0.00 0.00 58.31 52.65 2roz n LYS 11 Cb 0.58 -2.27 -0.03 0.00 -0.51 0.00 0.00 35.03 32.80 2roz n LYS 11 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2roz s THR 12 N -4.02 2.89 0.78 -0.18 2.01 -1.26 -4.96 115.64 110.90 2roz s THR 12 Ca 0.46 0.87 -0.15 0.00 0.31 0.00 0.00 61.69 63.18 2roz s THR 12 Cb 0.24 -3.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.19 2roz s THR 12 CO -0.11 0.20 0.62 1.21 -0.69 0.00 0.00 174.62 175.86 2roz n GLU 13 N 1.10 0.18 -1.75 4.92 2.13 -1.26 -4.81 120.64 121.14 2roz n GLU 13 Ca 0.01 0.11 -0.42 0.00 0.66 0.00 0.00 57.16 57.51 2roz n GLU 13 Cb 0.42 -1.95 -0.03 0.00 0.27 0.00 0.00 31.44 30.16 2roz n GLU 13 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2roz s LEU 14 N -1.33 4.31 1.36 4.31 2.01 -1.26 -4.95 118.68 123.13 2roz s LEU 14 Ca 0.65 2.48 -0.21 0.00 0.01 0.00 0.00 54.13 57.07 2roz s LEU 14 Cb -0.31 -3.53 0.33 0.00 0.01 0.00 0.00 46.19 42.69 2roz s LEU 14 CO 0.58 -1.11 0.79 1.33 1.01 0.00 0.00 176.35 178.96 2roz n VAL 15 N 5.74 0.00 0.24 -1.59 0.24 -1.26 -4.94 118.33 116.76 2roz n VAL 15 Ca 0.20 -0.10 -0.14 0.00 -2.04 0.00 0.00 64.34 62.26 2roz n VAL 15 Cb 0.42 -0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 31.81 2roz n VAL 15 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2roz h GLN 16 N -3.33 -0.61 -3.28 7.34 4.20 -1.92 -3.49 115.11 114.02 2roz h GLN 16 Ca -0.42 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.37 2roz h GLN 16 Cb 1.25 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.15 2roz h GLN 16 CO 0.28 -0.31 -0.89 1.63 -0.67 0.00 0.00 178.83 178.87 2roz n LYS 17 N -5.24 -3.56 -3.33 1.46 5.02 -1.25 -4.94 118.16 106.31 2roz n LYS 17 Ca -0.10 2.78 -0.01 0.00 -2.02 0.00 0.00 58.31 58.96 2roz n LYS 17 Cb 0.31 -3.53 -0.04 0.00 -0.02 0.00 0.00 35.03 31.74 2roz n LYS 17 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2roz s PHE 18 N -5.13 -1.30 -0.18 2.13 0.08 0.17 -4.88 117.98 108.87 2roz s PHE 18 Ca 0.00 1.59 -0.29 0.00 0.12 0.00 0.00 56.93 58.35 2roz s PHE 18 Cb 0.00 0.45 -0.00 0.00 -0.57 0.00 0.00 43.02 42.90 2roz s PHE 18 CO 0.00 -0.77 1.14 0.50 -0.10 0.00 0.00 175.22 176.00 2roz s ARG 19 N 2.77 4.26 0.00 0.44 6.06 -1.26 -0.55 118.95 130.67 2roz s ARG 19 Ca 0.12 1.51 0.00 0.00 -2.50 0.00 0.00 55.73 54.86 2roz s ARG 19 Cb -0.14 -3.68 0.00 0.00 0.06 0.00 0.00 34.95 31.19 2roz s ARG 19 CO -0.19 -0.63 0.00 1.33 -2.50 0.00 0.00 175.30 173.31 2roz n VAL 20 N 5.25 0.00 -4.07 7.11 0.24 -0.99 -4.69 118.33 121.18 2roz n VAL 20 Ca 0.13 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.18 2roz n VAL 20 Cb 0.46 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.76 2roz n VAL 20 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2roz s GLN 21 N 0.19 2.26 -0.31 7.34 -0.21 -0.88 -1.40 119.66 126.64 2roz s GLN 21 Ca 0.00 -1.83 0.02 0.00 0.02 0.00 0.00 55.36 53.57 2roz s GLN 21 Cb 0.00 -2.02 0.09 0.00 1.00 0.00 0.00 33.01 32.09 2roz s GLN 21 CO 0.00 -0.15 0.06 -0.47 -2.12 0.00 0.00 175.29 172.61 2roz s TYR 22 N -2.60 2.73 0.27 0.91 5.04 -0.31 -2.93 117.35 120.46 2roz s TYR 22 Ca 0.41 -2.31 -0.03 0.00 -2.44 0.00 0.00 57.07 52.70 2roz s TYR 22 Cb 0.03 -2.25 0.35 0.00 0.35 0.00 0.00 41.96 40.45 2roz s TYR 22 CO 0.23 -0.90 1.85 -0.07 -1.34 0.00 0.00 175.55 175.32 2roz h LEU 23 N 7.86 0.90 0.00 6.97 4.07 -1.83 -3.33 115.31 129.94 2roz h LEU 23 Ca -0.10 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.74 2roz h LEU 23 Cb 1.02 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.53 2roz h LEU 23 CO 0.49 0.80 0.00 0.61 -1.08 0.00 0.00 178.44 179.25 2roz n GLY 24 N -0.99 0.64 3.61 0.83 0.00 -1.26 -4.86 105.19 103.17 2roz n GLY 24 Ca 0.06 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 2roz n GLY 24 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2roz s MET 25 N -1.04 3.74 -0.10 1.61 1.75 -1.26 -2.83 119.30 121.17 2roz s MET 25 Ca 0.00 -0.39 0.03 0.00 -1.25 0.00 0.00 55.69 54.07 2roz s MET 25 Cb 0.00 -3.07 -0.01 0.00 2.84 0.00 0.00 34.83 34.59 2roz s MET 25 CO 0.00 0.34 -0.20 -1.17 -0.65 0.00 0.00 175.02 173.35 2roz s LEU 26 N 0.14 2.35 0.02 4.11 1.98 -0.25 -4.98 118.68 122.05 2roz s LEU 26 Ca 0.03 -0.45 -0.30 0.00 -2.89 0.00 0.00 54.13 50.51 2roz s LEU 26 Cb -0.13 -1.49 -0.05 0.00 0.66 0.00 0.00 46.19 45.19 2roz s LEU 26 CO 0.01 0.18 1.19 -2.16 -1.89 0.00 0.00 176.35 173.68 2roz s PRO 27 N 0.25 4.41 0.00 0.98 0.04 -1.26 -2.38 135.00 137.04 2roz s PRO 27 Ca -0.13 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2roz s PRO 27 Cb -0.16 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2roz s PRO 27 CO 0.07 -0.31 0.00 1.33 0.04 0.00 0.00 177.00 178.13 2roz n VAL 28 N 4.17 0.00 0.02 -0.36 0.24 -1.25 -4.99 118.33 116.16 2roz n VAL 28 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 2roz n VAL 28 Cb 0.47 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 2roz n VAL 28 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2roz n ASP 29 N -1.10 0.07 -4.89 -1.34 2.03 -1.26 -4.67 116.55 105.39 2roz n ASP 29 Ca 0.00 0.08 -0.31 0.00 0.52 0.00 0.00 54.79 55.08 2roz n ASP 29 Cb 0.00 0.03 -0.05 0.00 -0.72 0.00 0.00 41.12 40.38 2roz n ASP 29 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2roz s ARG 30 N -2.00 3.69 0.20 -0.67 1.81 -1.26 -4.74 118.95 115.97 2roz s ARG 30 Ca 0.00 0.05 0.05 0.00 -1.72 0.00 0.00 55.73 54.11 2roz s ARG 30 Cb 0.00 -2.75 0.10 0.00 -0.45 0.00 0.00 34.95 31.84 2roz s ARG 30 CO 0.00 0.39 1.45 -1.00 -0.68 0.00 0.00 175.30 175.46 2roz h PRO 31 N 2.59 0.13 -4.57 3.54 0.13 -1.98 -3.44 132.00 128.40 2roz h PRO 31 Ca -0.46 -0.13 -0.45 0.00 -0.87 0.00 0.00 66.00 64.08 2roz h PRO 31 Cb 1.17 0.03 -0.32 0.00 0.13 0.00 0.00 31.00 32.02 2roz h PRO 31 CO 0.71 0.85 -0.79 0.14 -0.23 0.00 0.00 178.00 178.67 2roz s VAL 32 N -3.34 0.87 0.00 1.56 -7.23 -1.26 -3.82 120.40 107.18 2roz s VAL 32 Ca -0.02 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 2roz s VAL 32 Cb 0.11 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 36.26 2roz s VAL 32 CO 0.81 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 176.48 2roz n GLY 33 N 3.47 1.02 0.00 2.32 0.00 -1.26 -4.96 105.19 105.77 2roz n GLY 33 Ca -0.20 0.53 0.03 0.00 0.00 0.00 0.00 46.02 46.39 2roz n GLY 33 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2roz n MET 34 N 0.00 0.01 -0.02 1.61 1.56 -1.26 -1.10 117.12 117.92 2roz n MET 34 Ca 0.00 0.37 -0.13 0.00 -0.27 0.00 0.00 57.70 57.66 2roz n MET 34 Cb 0.00 -1.50 -0.14 0.00 2.15 0.00 0.00 33.22 33.73 2roz n MET 34 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2roz n ASP 35 N -1.48 1.29 0.09 6.12 9.92 -1.26 -3.28 116.55 127.95 2roz n ASP 35 Ca 0.02 0.30 -0.16 0.00 -0.53 0.00 0.00 54.79 54.42 2roz n ASP 35 Cb 0.08 -0.29 -0.10 0.00 -0.64 0.00 0.00 41.12 40.17 2roz n ASP 35 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2roz h THR 36 N 0.03 1.44 0.36 -3.53 2.02 -1.55 -2.96 112.91 108.71 2roz h THR 36 Ca -0.36 -2.77 -0.02 0.00 0.77 0.00 0.00 66.41 64.03 2roz h THR 36 Cb 2.03 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 71.17 2roz h THR 36 CO 0.07 0.82 -0.17 0.25 0.37 0.00 0.00 175.52 176.86 2roz h LEU 37 N 0.15 -0.40 -0.88 2.58 5.85 -1.27 -3.03 115.31 118.30 2roz h LEU 37 Ca -0.12 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.78 2roz h LEU 37 Cb 1.82 0.10 -0.16 0.00 0.37 0.00 0.00 40.66 42.79 2roz h LEU 37 CO 0.19 -0.24 -0.27 0.78 -0.34 0.00 0.00 178.44 178.56 2roz h ASN 38 N -0.58 -1.01 -1.00 1.25 2.35 -1.70 0.81 115.58 115.71 2roz h ASN 38 Ca -0.05 0.27 0.27 0.00 -0.55 0.00 0.00 56.30 56.25 2roz h ASN 38 Cb 0.37 0.60 -0.19 0.00 0.05 0.00 0.00 38.32 39.15 2roz h ASN 38 CO 0.08 -0.29 0.02 -0.24 -1.65 0.00 0.00 177.43 175.34 2roz n SER 39 N -5.53 -0.12 0.28 5.81 2.88 -1.12 0.55 113.62 116.37 2roz n SER 39 Ca 0.12 1.69 -0.11 0.00 -1.33 0.00 0.00 58.87 59.24 2roz n SER 39 Cb 0.43 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 63.22 2roz n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2roz h ALA 40 N 1.99 -1.19 -0.96 -1.46 0.00 0.76 0.97 119.26 119.37 2roz h ALA 40 Ca 0.60 -0.16 0.30 0.00 0.00 0.00 0.00 54.91 55.66 2roz h ALA 40 Cb 1.24 0.28 -0.16 0.00 0.00 0.00 0.00 17.79 19.16 2roz h ALA 40 CO -0.94 -1.14 0.38 0.82 0.00 0.00 0.00 179.25 178.37 2roz h ILE 41 N -0.71 0.22 -0.16 0.00 2.04 -0.48 0.77 117.51 119.19 2roz h ILE 41 Ca -0.07 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2roz h ILE 41 Cb 0.55 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2roz h ILE 41 CO 0.12 0.04 -0.04 -0.33 0.00 0.00 0.00 178.15 177.93 2roz h GLU 42 N 0.19 0.30 0.12 2.37 5.08 0.46 0.30 114.58 123.41 2roz h GLU 42 Ca 0.67 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.91 2roz h GLU 42 Cb 1.51 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.74 2roz h GLU 42 CO -0.69 0.59 -0.07 -0.97 -1.00 0.00 0.00 179.01 176.87 2roz h ASN 43 N 0.00 -0.18 -0.68 1.42 -0.73 0.69 -2.52 115.58 113.59 2roz h ASN 43 Ca 0.04 0.01 0.13 0.00 1.87 0.00 0.00 56.30 58.35 2roz h ASN 43 Cb 0.48 0.05 -0.13 0.00 0.27 0.00 0.00 38.32 38.99 2roz h ASN 43 CO 0.02 -0.11 -0.24 -0.07 -0.37 0.00 0.00 177.43 176.66 2roz h LEU 44 N -0.18 -0.86 -0.91 0.34 3.38 -0.28 1.64 115.31 118.44 2roz h LEU 44 Ca -0.02 0.22 0.21 0.00 0.09 0.00 0.00 57.88 58.39 2roz h LEU 44 Cb 0.14 0.50 -0.17 0.00 0.09 0.00 0.00 40.66 41.22 2roz h LEU 44 CO 0.02 -0.26 -0.12 0.23 0.09 0.00 0.00 178.44 178.39 2roz n MET 45 N -5.46 -0.08 0.02 1.13 2.81 0.09 0.10 117.12 115.73 2roz n MET 45 Ca 0.08 1.39 -0.16 0.00 -1.81 0.00 0.00 57.70 57.20 2roz n MET 45 Cb 0.36 -2.13 -0.14 0.00 -0.71 0.00 0.00 33.22 30.61 2roz n MET 45 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2roz h THR 46 N 0.00 0.87 -0.06 2.03 1.03 -0.16 -3.39 112.91 113.22 2roz h THR 46 Ca 0.48 -2.61 0.01 0.00 -0.01 0.00 0.00 66.41 64.28 2roz h THR 46 Cb 0.86 2.56 -0.01 0.00 -1.07 0.00 0.00 68.15 70.49 2roz h THR 46 CO -0.90 0.74 -0.03 -0.24 -0.01 0.00 0.00 175.52 175.08 2roz n SER 47 N -3.33 -0.06 -3.71 0.00 2.88 0.53 -4.69 113.62 105.23 2roz n SER 47 Ca -0.22 1.01 -0.17 0.00 -1.33 0.00 0.00 58.87 58.16 2roz n SER 47 Cb 1.05 -0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 64.03 2roz n SER 47 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2roz n SER 48 N -3.10 2.25 -3.49 -3.46 7.64 -0.72 -5.05 113.62 107.70 2roz n SER 48 Ca 0.00 -2.21 -0.15 0.00 1.01 0.00 0.00 58.87 57.53 2roz n SER 48 Cb 0.02 0.03 0.08 0.00 -1.01 0.00 0.00 64.21 63.33 2roz n SER 48 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2roz n SER 49 N -1.74 0.68 0.05 6.43 7.64 -1.26 -4.75 113.62 120.67 2roz n SER 49 Ca -0.04 -1.62 -0.15 0.00 1.01 0.00 0.00 58.87 58.07 2roz n SER 49 Cb 0.39 -0.44 -0.14 0.00 -1.01 0.00 0.00 64.21 63.01 2roz n SER 49 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2roz h LYS 50 N 0.00 0.20 0.00 1.43 3.64 -1.96 -3.27 116.57 116.60 2roz h LYS 50 Ca -0.21 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 58.80 2roz h LYS 50 Cb 0.74 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2roz h LYS 50 CO 0.21 1.04 -0.14 0.93 -2.27 0.00 0.00 179.45 179.21 2roz h GLU 51 N 0.05 0.00 -0.29 1.90 5.08 -2.02 -3.10 114.58 116.20 2roz h GLU 51 Ca -0.23 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 2roz h GLU 51 Cb 1.99 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 2roz h GLU 51 CO 0.15 0.14 -0.34 0.22 -1.00 0.00 0.00 179.01 178.18 2roz h ASP 52 N 0.00 0.65 -1.75 1.42 1.82 -1.95 -3.42 116.42 113.19 2roz h ASP 52 Ca -0.00 -0.27 -0.61 0.00 -0.39 0.00 0.00 57.03 55.76 2roz h ASP 52 Cb 1.00 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.82 2roz h ASP 52 CO 0.02 0.94 1.43 0.79 -1.61 0.00 0.00 179.24 180.81 2roz n TRP 53 N -4.06 1.92 -2.06 0.28 8.01 -1.17 -4.92 117.44 115.43 2roz n TRP 53 Ca -0.01 -0.02 -0.33 0.00 -1.31 0.00 0.00 57.50 55.83 2roz n TRP 53 Cb 0.48 -2.67 0.01 0.00 -2.01 0.00 0.00 31.31 27.12 2roz n TRP 53 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 2roz s PRO 54 N 6.07 3.37 0.01 -0.99 0.04 -1.25 -4.61 135.00 137.64 2roz s PRO 54 Ca 1.02 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 2roz s PRO 54 Cb -0.51 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 2roz s PRO 54 CO 0.41 -0.76 0.96 -1.54 0.04 0.00 0.00 177.00 176.10 2roz s SER 55 N -2.89 7.36 0.36 6.66 1.04 -1.26 -1.16 113.70 123.81 2roz s SER 55 Ca 0.63 1.64 0.03 0.00 0.48 0.00 0.00 55.95 58.74 2roz s SER 55 Cb -0.15 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2roz s SER 55 CO 0.37 -0.23 0.09 0.68 0.98 0.00 0.00 173.24 175.13 2roz s VAL 56 N 0.90 0.88 -0.25 5.02 -7.23 -0.50 -3.58 120.40 115.64 2roz s VAL 56 Ca 0.51 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2roz s VAL 56 Cb -0.21 -2.57 0.07 0.00 0.56 0.00 0.00 36.38 34.23 2roz s VAL 56 CO 0.28 0.00 -0.01 0.20 -0.31 0.00 0.00 175.10 175.25 2roz s ASN 57 N -3.54 3.87 -0.51 4.85 0.01 0.72 -2.34 114.94 118.01 2roz s ASN 57 Ca 0.30 -1.31 -0.27 0.00 -0.71 0.00 0.00 52.86 50.87 2roz s ASN 57 Cb 0.06 -1.12 0.03 0.00 0.41 0.00 0.00 41.25 40.63 2roz s ASN 57 CO 0.14 -0.28 1.06 -0.32 -1.51 0.00 0.00 177.10 176.19 2roz s MET 58 N 1.42 3.55 -0.23 -0.60 -2.45 0.29 -0.30 119.30 120.99 2roz s MET 58 Ca -0.01 0.24 -0.17 0.00 -1.25 0.00 0.00 55.69 54.49 2roz s MET 58 Cb -0.18 -3.96 -0.03 0.00 1.25 0.00 0.00 34.83 31.90 2roz s MET 58 CO -0.09 -1.43 0.48 -0.80 1.05 0.00 0.00 175.02 174.23 2roz s ASN 59 N 2.59 6.46 -0.26 1.11 0.01 0.49 0.43 114.94 125.77 2roz s ASN 59 Ca 0.41 0.55 0.02 0.00 -0.71 0.00 0.00 52.86 53.13 2roz s ASN 59 Cb -0.09 -2.27 0.06 0.00 0.41 0.00 0.00 41.25 39.37 2roz s ASN 59 CO 0.27 -0.20 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.89 2roz s VAL 60 N 1.85 1.93 0.19 1.60 1.01 -1.25 0.04 120.40 125.78 2roz s VAL 60 Ca 0.21 -1.54 -0.23 0.00 0.00 0.00 0.00 61.98 60.42 2roz s VAL 60 Cb -0.15 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.15 2roz s VAL 60 CO 0.09 -0.10 0.77 0.00 0.00 0.00 0.00 175.10 175.86 2roz s ALA 61 N 1.20 -1.48 -0.08 5.51 0.00 -0.67 -3.34 121.76 122.90 2roz s ALA 61 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2roz s ALA 61 Cb -0.19 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2roz s ALA 61 CO -0.06 -0.94 0.00 -3.47 0.00 0.00 0.00 175.76 171.29 2roz n ASP 62 N -0.42 -1.11 -3.12 0.00 2.03 -1.26 0.24 116.55 112.91 2roz n ASP 62 Ca -0.08 0.43 -0.15 0.00 0.52 0.00 0.00 54.79 55.51 2roz n ASP 62 Cb 0.61 -1.12 0.08 0.00 -0.72 0.00 0.00 41.12 39.97 2roz n ASP 62 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2roz n ALA 63 N -2.31 -1.72 -3.74 -1.67 0.00 -1.26 -4.99 120.51 104.83 2roz n ALA 63 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 2roz n ALA 63 Cb 0.46 -2.36 -0.14 0.00 0.00 0.00 0.00 19.45 17.41 2roz n ALA 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2roz s THR 64 N -3.31 -0.05 -0.41 0.00 2.01 0.67 -2.74 115.64 111.81 2roz s THR 64 Ca 0.04 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.11 2roz s THR 64 Cb -0.02 -0.31 0.07 0.00 0.01 0.00 0.00 72.50 72.25 2roz s THR 64 CO 0.64 0.07 0.25 -0.69 -0.69 0.00 0.00 174.62 174.19 2roz s VAL 65 N 1.25 4.21 -0.10 3.82 1.01 0.51 -1.67 120.40 129.43 2roz s VAL 65 Ca -0.09 -1.38 0.03 0.00 0.00 0.00 0.00 61.98 60.54 2roz s VAL 65 Cb -0.11 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2roz s VAL 65 CO -0.07 -0.48 -0.19 -0.89 0.00 0.00 0.00 175.10 173.47 2roz s THR 66 N 1.42 2.58 -0.52 3.92 2.01 0.11 0.19 115.64 125.36 2roz s THR 66 Ca 0.03 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 61.03 2roz s THR 66 Cb -0.23 -2.02 0.12 0.00 0.01 0.00 0.00 72.50 70.38 2roz s THR 66 CO 0.02 0.55 0.46 -0.69 -0.69 0.00 0.00 174.62 174.27 2roz s VAL 67 N 0.11 5.08 0.27 3.82 1.01 0.45 0.18 120.40 131.32 2roz s VAL 67 Ca -0.09 -1.44 -0.02 0.00 0.00 0.00 0.00 61.98 60.43 2roz s VAL 67 Cb -0.15 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2roz s VAL 67 CO 0.06 -0.79 0.49 -0.63 0.00 0.00 0.00 175.10 174.23 2roz s ILE 68 N 1.58 5.11 -0.09 2.22 1.01 0.59 0.11 121.20 131.72 2roz s ILE 68 Ca 0.03 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 2roz s ILE 68 Cb -0.28 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 2roz s ILE 68 CO 0.03 -0.33 1.68 -0.55 0.00 0.00 0.00 174.94 175.77 2roz s SER 69 N -3.39 6.55 0.28 3.58 0.15 -0.03 -0.20 113.70 120.64 2roz s SER 69 Ca 0.41 2.11 -0.01 0.00 0.70 0.00 0.00 55.95 59.15 2roz s SER 69 Cb -0.10 -2.53 0.62 0.00 -1.71 0.00 0.00 66.02 62.29 2roz s SER 69 CO 0.31 -1.05 1.46 1.21 1.20 0.00 0.00 173.24 176.38 2roz n GLU 70 N 7.33 -0.08 0.00 5.44 2.13 -1.23 -2.68 120.64 131.55 2roz n GLU 70 Ca 0.18 1.42 0.00 0.00 0.66 0.00 0.00 57.16 59.43 2roz n GLU 70 Cb 0.43 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 29.93 2roz n GLU 70 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2roz n LYS 71 N -5.44 0.00 -2.27 5.31 4.76 -1.26 -4.64 118.16 114.62 2roz n LYS 71 Ca 0.20 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.21 2roz n LYS 71 Cb 0.63 -0.48 -0.03 0.00 -1.84 0.00 0.00 35.03 33.32 2roz n LYS 71 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2roz s ASN 72 N -1.90 6.89 0.00 4.39 0.01 -1.09 -4.88 114.94 118.37 2roz s ASN 72 Ca 0.00 2.05 0.29 0.00 -0.71 0.00 0.00 52.86 54.49 2roz s ASN 72 Cb 0.00 -2.56 1.27 0.00 0.41 0.00 0.00 41.25 40.37 2roz s ASN 72 CO 0.00 -0.69 1.92 1.21 -1.51 0.00 0.00 177.10 178.02 2roz n GLU 73 N 5.35 0.29 -0.88 -0.60 0.00 -1.25 -3.16 120.64 120.38 2roz n GLU 73 Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 57.16 57.17 2roz n GLU 73 Cb 0.44 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.58 2roz n GLU 73 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2roz n GLU 74 N -1.32 2.00 -3.66 5.31 -0.58 -1.26 -4.77 120.64 116.36 2roz n GLU 74 Ca 0.11 -3.14 -0.28 0.00 -0.42 0.00 0.00 57.16 53.43 2roz n GLU 74 Cb 0.29 -1.89 -0.11 0.00 -0.57 0.00 0.00 31.44 29.16 2roz n GLU 74 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2roz s GLU 75 N -3.24 1.72 0.74 3.49 2.12 -1.19 -5.06 118.70 117.28 2roz s GLU 75 Ca 0.47 -2.76 -0.15 0.00 0.36 0.00 0.00 54.97 52.89 2roz s GLU 75 Cb 0.42 -2.46 0.02 0.00 0.26 0.00 0.00 34.13 32.37 2roz s GLU 75 CO 0.02 -1.34 1.05 1.55 -0.54 0.00 0.00 175.26 176.00 2roz n VAL 76 N 2.38 2.81 0.03 3.70 3.14 -1.26 -0.85 118.33 128.29 2roz n VAL 76 Ca 0.25 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2roz n VAL 76 Cb 0.41 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.03 2roz n VAL 76 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2roz n LEU 77 N -2.06 0.29 -3.92 6.55 4.77 0.29 -4.75 117.00 118.17 2roz n LEU 77 Ca 0.13 0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 56.03 2roz n LEU 77 Cb 0.50 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.38 2roz n LEU 77 CO 0.48 -0.36 -0.40 -0.69 -1.33 0.00 0.00 177.39 175.09 2roz s VAL 78 N -2.00 0.40 -0.47 4.08 1.01 -0.75 -4.96 120.40 117.71 2roz s VAL 78 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2roz s VAL 78 Cb 0.00 -0.38 0.12 0.00 0.00 0.00 0.00 36.38 36.12 2roz s VAL 78 CO 0.00 0.14 0.22 -0.70 0.00 0.00 0.00 175.10 174.77 2roz s GLU 79 N 0.29 1.93 -0.79 2.72 2.12 -1.26 0.17 118.70 123.88 2roz s GLU 79 Ca -0.03 -2.32 -0.16 0.00 0.36 0.00 0.00 54.97 52.82 2roz s GLU 79 Cb -0.07 -3.38 0.17 0.00 0.26 0.00 0.00 34.13 31.12 2roz s GLU 79 CO -0.00 -1.07 0.81 0.00 -0.54 0.00 0.00 175.26 174.46 2roz s ARG 81 N 1.27 3.92 0.61 0.00 1.81 -1.26 -0.36 118.95 124.93 2roz s ARG 81 Ca 0.19 1.62 0.27 0.00 -1.72 0.00 0.00 55.73 56.09 2roz s ARG 81 Cb -0.13 -3.96 1.21 0.00 -0.45 0.00 0.00 34.95 31.62 2roz s ARG 81 CO -0.06 -1.13 1.63 -0.24 -0.68 0.00 0.00 175.30 174.82 2roz h VAL 82 N 5.96 0.17 -0.14 3.52 3.04 -1.86 1.38 116.25 128.32 2roz h VAL 82 Ca -0.32 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.23 2roz h VAL 82 Cb 1.14 0.36 0.01 0.00 -2.01 0.00 0.00 31.29 30.78 2roz h VAL 82 CO 1.00 0.00 -0.49 0.03 -1.01 0.00 0.00 177.57 177.10 2roz h ARG 83 N 0.00 0.58 0.10 4.17 2.47 -1.89 -3.27 114.38 116.55 2roz h ARG 83 Ca 0.29 -0.44 -0.26 0.00 -1.26 0.00 0.00 59.98 58.31 2roz h ARG 83 Cb 1.84 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 30.23 2roz h ARG 83 CO -0.00 1.06 -1.21 0.74 0.56 0.00 0.00 179.97 181.11 2roz h PHE 84 N 0.22 0.37 -2.10 3.04 0.04 0.11 -3.47 116.94 115.16 2roz h PHE 84 Ca -0.02 -0.27 -0.58 0.00 2.80 0.00 0.00 57.97 59.90 2roz h PHE 84 Cb 1.12 -0.01 0.20 0.00 2.20 0.00 0.00 35.95 39.45 2roz h PHE 84 CO 0.10 1.22 -1.28 -0.11 -0.60 0.00 0.00 178.31 177.64 2roz n LEU 85 N -3.48 -3.92 0.08 1.54 0.00 0.24 -3.85 117.00 107.61 2roz n LEU 85 Ca -0.07 0.52 0.00 0.00 0.00 0.00 0.00 56.01 56.46 2roz n LEU 85 Cb 1.01 -0.86 0.00 0.00 0.00 0.00 0.00 43.42 43.57 2roz n LEU 85 CO 0.52 -4.99 -0.03 -1.54 0.00 0.00 0.00 177.39 171.35 2roz n SER 86 N 2.55 0.60 -4.27 1.96 3.41 -0.68 -4.90 113.62 112.28 2roz n SER 86 Ca 0.05 0.24 -0.15 0.00 -0.26 0.00 0.00 58.87 58.76 2roz n SER 86 Cb 0.50 -0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 2roz n SER 86 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2roz s PHE 87 N -2.00 1.36 -0.29 7.33 5.36 -1.24 -4.96 117.98 123.54 2roz s PHE 87 Ca 0.00 -0.81 -0.23 0.00 -0.96 0.00 0.00 56.93 54.93 2roz s PHE 87 Cb 0.00 -0.72 0.14 0.00 -0.34 0.00 0.00 43.02 42.09 2roz s PHE 87 CO 0.00 0.05 1.07 0.00 -1.46 0.00 0.00 175.22 174.88 2roz s MET 88 N -3.78 0.42 0.00 10.12 0.23 -1.26 -0.23 119.30 124.80 2roz s MET 88 Ca 0.20 0.54 0.00 0.00 -1.03 0.00 0.00 55.69 55.41 2roz s MET 88 Cb 0.03 0.18 0.00 0.00 -1.53 0.00 0.00 34.83 33.52 2roz s MET 88 CO 0.03 -0.06 0.00 0.41 -2.03 0.00 0.00 175.02 173.37 2roz n GLY 89 N 2.44 1.60 3.32 3.16 0.00 -0.72 -5.01 105.19 110.00 2roz n GLY 89 Ca -0.13 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 2roz n GLY 89 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2roz s VAL 90 N -1.04 0.81 0.00 1.61 -7.23 -1.26 -1.49 120.40 111.80 2roz s VAL 90 Ca 0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2roz s VAL 90 Cb 0.00 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.47 2roz s VAL 90 CO 0.00 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 2roz n GLY 91 N -0.44 0.57 0.13 2.32 0.00 -1.26 -4.75 105.19 101.75 2roz n GLY 91 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 2roz n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2roz n LYS 92 N 0.00 0.67 -3.71 1.61 4.76 -1.26 -4.94 118.16 115.28 2roz n LYS 92 Ca 0.00 0.18 -0.35 0.00 -2.87 0.00 0.00 58.31 55.27 2roz n LYS 92 Cb 0.00 -1.55 -0.05 0.00 -1.84 0.00 0.00 35.03 31.58 2roz n LYS 92 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2roz s ASP 93 N -6.67 6.54 0.32 4.39 1.11 -1.26 -4.98 116.67 116.11 2roz s ASP 93 Ca -0.33 0.63 0.17 0.00 0.18 0.00 0.00 52.55 53.20 2roz s ASP 93 Cb 0.09 -2.12 0.21 0.00 1.07 0.00 0.00 42.92 42.17 2roz s ASP 93 CO 0.62 0.25 1.51 -0.37 1.18 0.00 0.00 175.17 178.37 2roz h VAL 94 N 3.11 0.73 0.00 -1.27 -1.51 -1.93 -2.98 116.25 112.40 2roz h VAL 94 Ca -0.50 -1.94 0.00 0.00 -1.23 0.00 0.00 66.70 63.02 2roz h VAL 94 Cb 1.20 2.29 0.00 0.00 -2.13 0.00 0.00 31.29 32.65 2roz h VAL 94 CO 0.65 0.40 0.00 1.41 -1.23 0.00 0.00 177.57 178.81 2roz n HIS 95 N -3.24 0.78 -3.90 5.19 8.25 -1.26 -0.80 115.22 120.25 2roz n HIS 95 Ca 0.02 0.38 -0.28 0.00 -0.26 0.00 0.00 57.72 57.57 2roz n HIS 95 Cb 0.67 -1.10 -0.03 0.00 1.12 0.00 0.00 29.99 30.65 2roz n HIS 95 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2roz s THR 96 N -3.49 5.33 -0.27 1.59 -4.23 -1.13 0.17 115.64 113.61 2roz s THR 96 Ca -0.01 -0.50 -0.04 0.00 -1.18 0.00 0.00 61.69 59.96 2roz s THR 96 Cb 0.07 -3.69 0.15 0.00 1.34 0.00 0.00 72.50 70.37 2roz s THR 96 CO 0.26 -0.00 0.52 0.12 -0.54 0.00 0.00 174.62 174.98 2roz s PHE 97 N -1.66 -1.23 0.34 3.99 5.36 -0.70 -4.60 117.98 119.48 2roz s PHE 97 Ca 0.35 1.58 0.09 0.00 -0.96 0.00 0.00 56.93 57.99 2roz s PHE 97 Cb -0.12 0.43 -0.06 0.00 -0.34 0.00 0.00 43.02 42.94 2roz s PHE 97 CO 0.28 -0.73 -0.00 0.00 -1.46 0.00 0.00 175.22 173.30 2roz s ALA 98 N 2.75 3.17 -0.17 11.12 0.00 -0.56 -1.33 121.76 136.74 2roz s ALA 98 Ca 0.10 -1.98 -0.24 0.00 0.00 0.00 0.00 51.96 49.84 2roz s ALA 98 Cb -0.14 -0.32 0.06 0.00 0.00 0.00 0.00 23.12 22.72 2roz s ALA 98 CO -0.18 0.07 0.61 -0.59 0.00 0.00 0.00 175.76 175.67 2roz s PHE 99 N -2.53 -0.64 -0.19 0.00 -0.12 -1.06 -1.75 117.98 111.69 2roz s PHE 99 Ca 0.34 1.41 -0.15 0.00 -0.05 0.00 0.00 56.93 58.48 2roz s PHE 99 Cb 0.00 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.62 2roz s PHE 99 CO 0.19 -0.41 0.38 0.42 -0.05 0.00 0.00 175.22 175.74 2roz s ILE 100 N -0.22 5.23 0.02 -4.49 1.01 0.68 -1.77 121.20 121.65 2roz s ILE 100 Ca -0.04 0.68 0.08 0.00 0.00 0.00 0.00 60.65 61.37 2roz s ILE 100 Cb -0.03 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2roz s ILE 100 CO 0.04 0.29 -0.24 0.00 0.00 0.00 0.00 174.94 175.03 2roz s MET 101 N 1.06 1.76 -0.35 2.79 0.23 0.54 -1.69 119.30 123.63 2roz s MET 101 Ca 0.19 -0.95 -0.18 0.00 -1.03 0.00 0.00 55.69 53.72 2roz s MET 101 Cb -0.14 -1.81 -0.00 0.00 -1.53 0.00 0.00 34.83 31.34 2roz s MET 101 CO 0.07 0.48 0.49 0.34 -2.03 0.00 0.00 175.02 174.38 2roz s ASP 102 N -0.90 6.30 -0.05 -1.18 -1.08 -1.25 -1.87 116.67 116.63 2roz s ASP 102 Ca 0.10 -0.09 -0.16 0.00 -0.52 0.00 0.00 52.55 51.88 2roz s ASP 102 Cb -0.09 -2.26 -0.31 0.00 -1.46 0.00 0.00 42.92 38.80 2roz s ASP 102 CO 0.01 -0.47 0.76 0.71 0.52 0.00 0.00 175.17 176.69 2roz h THR 103 N 5.62 1.16 0.00 1.71 1.35 -1.94 -3.47 112.91 117.34 2roz h THR 103 Ca -0.28 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 2roz h THR 103 Cb 1.13 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 2roz h THR 103 CO 0.77 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 177.42 2roz n GLY 104 N 1.76 -0.76 3.41 5.82 0.00 -1.26 -5.15 105.19 109.01 2roz n GLY 104 Ca -0.21 0.57 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 2roz n GLY 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2roz s ASN 105 N 2.00 -0.29 0.26 1.61 3.84 -1.26 -4.82 114.94 116.27 2roz s ASN 105 Ca 0.00 0.79 -0.03 0.00 0.21 0.00 0.00 52.86 53.83 2roz s ASN 105 Cb 0.00 -1.12 0.51 0.00 -0.55 0.00 0.00 41.25 40.09 2roz s ASN 105 CO 0.00 -4.89 1.36 0.00 -2.79 0.00 0.00 177.10 170.79 2roz n GLN 106 N -5.30 -0.07 -0.98 0.43 6.02 -1.26 -4.53 117.38 111.68 2roz n GLN 106 Ca 0.12 1.34 -0.37 0.00 -0.01 0.00 0.00 57.00 58.09 2roz n GLN 106 Cb 0.60 -2.05 -0.04 0.00 1.02 0.00 0.00 30.24 29.77 2roz n GLN 106 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2roz n ARG 107 N -5.36 0.00 -4.26 -1.09 3.00 -1.26 -4.90 116.66 102.79 2roz n ARG 107 Ca 0.17 0.00 -0.18 0.00 -0.01 0.00 0.00 57.85 57.83 2roz n ARG 107 Cb 0.53 -0.87 -0.11 0.00 0.00 0.00 0.00 32.46 32.02 2roz n ARG 107 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2roz s PHE 108 N -0.28 1.44 -0.03 -1.55 0.08 -1.26 -4.25 117.98 112.13 2roz s PHE 108 Ca 0.54 -0.57 0.05 0.00 0.12 0.00 0.00 56.93 57.07 2roz s PHE 108 Cb -0.76 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 40.94 2roz s PHE 108 CO 0.38 0.17 -0.19 -1.21 -0.10 0.00 0.00 175.22 174.27 2roz s GLU 109 N -2.88 1.75 -0.17 0.44 2.02 -0.78 -3.77 118.70 115.30 2roz s GLU 109 Ca 0.11 -0.69 -0.01 0.00 0.02 0.00 0.00 54.97 54.40 2roz s GLU 109 Cb -0.04 -1.60 -0.01 0.00 0.10 0.00 0.00 34.13 32.58 2roz s GLU 109 CO 0.03 0.36 -0.10 0.00 0.02 0.00 0.00 175.26 175.56 2roz s HIS 111 N 0.89 3.22 0.45 0.00 3.76 -0.73 -1.08 115.29 121.80 2roz s HIS 111 Ca -0.03 -1.67 -0.02 0.00 -0.15 0.00 0.00 55.06 53.20 2roz s HIS 111 Cb -0.15 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 2roz s HIS 111 CO -0.00 -0.76 0.70 0.08 -0.85 0.00 0.00 174.74 173.91 2roz s VAL 112 N 1.31 4.41 0.21 -0.90 1.01 -1.13 -2.56 120.40 122.75 2roz s VAL 112 Ca -0.03 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 2roz s VAL 112 Cb -0.19 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2roz s VAL 112 CO -0.01 -0.52 0.46 -0.36 0.00 0.00 0.00 175.10 174.67 2roz s PHE 113 N -2.60 0.15 -0.40 5.22 0.40 -0.45 -2.63 117.98 117.66 2roz s PHE 113 Ca 0.47 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 56.31 2roz s PHE 113 Cb -0.10 0.23 0.12 0.00 0.51 0.00 0.00 43.02 43.78 2roz s PHE 113 CO 0.40 -0.90 0.16 -0.46 0.70 0.00 0.00 175.22 175.12 2roz s TRP 114 N -3.94 2.70 0.49 0.36 -0.11 -1.15 -1.72 118.94 115.57 2roz s TRP 114 Ca 0.15 -2.62 -0.04 0.00 1.22 0.00 0.00 56.10 54.82 2roz s TRP 114 Cb -0.00 -2.36 -0.02 0.00 -1.50 0.00 0.00 33.47 29.59 2roz s TRP 114 CO 0.02 -0.84 0.77 0.00 -4.62 0.00 0.00 176.95 172.28 2roz s GLU 116 N -4.73 0.03 -0.07 0.00 2.02 -1.26 -4.36 118.70 110.34 2roz s GLU 116 Ca 0.49 0.09 -0.15 0.00 0.02 0.00 0.00 54.97 55.42 2roz s GLU 116 Cb -0.10 -0.19 -0.11 0.00 0.10 0.00 0.00 34.13 33.83 2roz s GLU 116 CO 0.42 -0.09 0.58 -1.00 0.02 0.00 0.00 175.26 175.19 2roz h PRO 117 N 6.82 -0.23 -6.29 0.39 0.13 -1.99 -3.49 132.00 127.34 2roz h PRO 117 Ca -0.37 0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.25 2roz h PRO 117 Cb 1.16 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2roz h PRO 117 CO 0.49 0.07 -0.21 0.54 -0.23 0.00 0.00 178.00 178.66 2roz s ASN 118 N -5.40 4.89 -0.61 1.44 2.20 -1.26 -4.15 114.94 112.05 2roz s ASN 118 Ca -0.09 -1.02 -0.00 0.00 -0.94 0.00 0.00 52.86 50.81 2roz s ASN 118 Cb 0.00 0.30 0.45 0.00 -2.00 0.00 0.00 41.25 40.00 2roz s ASN 118 CO 0.31 -1.19 1.88 0.00 -2.94 0.00 0.00 177.10 175.16 2roz n ALA 119 N -1.98 6.11 -0.03 3.54 0.00 0.02 -4.55 120.51 123.62 2roz n ALA 119 Ca 0.07 -3.57 -0.15 0.00 0.00 0.00 0.00 53.44 49.79 2roz n ALA 119 Cb 0.63 -1.52 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 2roz n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roz h ALA 120 N 2.08 0.01 -0.11 0.00 0.00 -1.96 -1.65 119.26 117.62 2roz h ALA 120 Ca 0.56 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2roz h ALA 120 Cb 0.90 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2roz h ALA 120 CO 1.44 0.04 -0.12 -0.91 0.00 0.00 0.00 179.25 179.70 2roz h ASN 121 N -0.67 0.31 0.06 0.00 4.21 -1.98 -0.23 115.58 117.27 2roz h ASN 121 Ca -0.03 -0.49 -0.00 0.00 1.21 0.00 0.00 56.30 56.99 2roz h ASN 121 Cb 1.00 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 38.11 2roz h ASN 121 CO 0.03 0.73 -0.05 0.58 -1.29 0.00 0.00 177.43 177.44 2roz h VAL 122 N -0.12 0.00 -1.04 2.81 2.07 -1.85 1.10 116.25 119.22 2roz h VAL 122 Ca 0.02 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.81 2roz h VAL 122 Cb 0.65 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 2roz h VAL 122 CO 0.03 0.00 0.68 0.77 0.02 0.00 0.00 177.57 179.07 2roz h SER 123 N -0.11 0.38 0.54 0.57 4.64 -1.41 -0.23 113.55 117.94 2roz h SER 123 Ca -0.01 0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2roz h SER 123 Cb 0.09 0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2roz h SER 123 CO 0.00 0.08 -0.26 -0.08 -0.87 0.00 0.00 176.83 175.70 2roz h GLU 124 N 0.33 -0.70 -0.21 4.77 4.81 -0.42 0.98 114.58 124.14 2roz h GLU 124 Ca 0.58 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.92 2roz h GLU 124 Cb 1.58 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 31.11 2roz h GLU 124 CO -0.25 -0.40 0.45 0.00 -0.73 0.00 0.00 179.01 178.09 2roz h ALA 125 N -0.79 1.76 0.00 2.92 0.00 0.29 1.32 119.26 124.75 2roz h ALA 125 Ca -0.07 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 2roz h ALA 125 Cb 0.63 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2roz h ALA 125 CO 0.12 -0.56 -1.85 0.28 0.00 0.00 0.00 179.25 177.24 2roz n VAL 126 N -3.21 1.31 0.04 0.00 0.31 -0.31 -2.91 118.33 113.56 2roz n VAL 126 Ca 0.03 -0.76 -0.10 0.00 -0.01 0.00 0.00 64.34 63.49 2roz n VAL 126 Cb 0.56 -0.71 0.03 0.00 -0.91 0.00 0.00 33.84 32.81 2roz n VAL 126 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2roz h GLN 127 N 0.00 0.46 0.00 5.55 4.15 0.95 -1.28 115.11 124.95 2roz h GLN 127 Ca -0.31 -0.36 -0.04 0.00 0.77 0.00 0.00 58.65 58.71 2roz h GLN 127 Cb 1.89 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.64 2roz h GLN 127 CO 0.05 0.98 -0.44 0.00 -1.93 0.00 0.00 178.83 177.50 2roz h ALA 128 N 0.92 0.79 -0.03 3.38 0.00 -0.31 -3.10 119.26 120.92 2roz h ALA 128 Ca -0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2roz h ALA 128 Cb 1.26 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2roz h ALA 128 CO 0.12 0.23 -0.33 0.00 0.00 0.00 0.00 179.25 179.28 2roz h ALA 129 N 1.83 0.08 -0.65 0.00 0.00 -1.39 -3.06 119.26 116.06 2roz h ALA 129 Ca -0.01 -0.47 0.14 0.00 0.00 0.00 0.00 54.91 54.56 2roz h ALA 129 Cb 1.15 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 2roz h ALA 129 CO 0.02 0.16 -0.06 0.00 0.00 0.00 0.00 179.25 179.37 2roz n SER 131 N -5.36 -2.31 -0.36 0.00 2.88 -1.22 -4.97 113.62 102.28 2roz n SER 131 Ca 0.09 0.51 0.05 0.00 -1.33 0.00 0.00 58.87 58.18 2roz n SER 131 Cb 0.37 2.36 -0.02 0.00 -0.75 0.00 0.00 64.21 66.17 2roz n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2roz n GLY 132 N -1.48 -2.26 3.82 0.46 0.00 -1.16 -4.91 105.19 99.66 2roz n GLY 132 Ca 0.00 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 2roz n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2roz s PRO 133 N -2.52 2.76 0.07 1.61 0.04 -1.26 -5.04 135.00 130.66 2roz s PRO 133 Ca 0.00 0.89 0.07 0.00 0.04 0.00 0.00 61.00 62.00 2roz s PRO 133 Cb 0.00 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2roz s PRO 133 CO 0.00 -1.21 -0.19 -1.54 0.04 0.00 0.00 177.00 174.10 2roz s SER 134 N -3.82 2.28 0.11 6.66 1.04 -1.26 -5.15 113.70 113.56 2roz s SER 134 Ca 0.59 -0.59 0.05 0.00 0.48 0.00 0.00 55.95 56.47 2roz s SER 134 Cb -0.14 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.80 2roz s SER 134 CO 0.55 0.07 -0.11 -0.44 0.98 0.00 0.00 173.24 174.28 2roz s SER 135 N -1.56 1.69 0.00 7.02 0.01 -1.26 -5.35 113.70 114.26 2roz s SER 135 Ca 0.05 -0.85 0.14 0.00 1.31 0.00 0.00 55.95 56.61 2roz s SER 135 Cb -0.09 -0.02 0.11 0.00 0.21 0.00 0.00 66.02 66.23 2roz s SER 135 CO 0.03 -0.24 0.96 0.61 0.41 0.00 0.00 173.24 175.01