#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rov n ARG 2 N 0.00 0.23 -1.41 1.43 0.00 -1.26 -5.10 116.66 110.56 2rov n ARG 2 Ca 0.00 -0.47 -0.52 0.00 -0.00 0.00 0.00 57.85 56.86 2rov n ARG 2 Cb 0.00 0.60 -0.08 0.00 -0.00 0.00 0.00 32.46 32.97 2rov n ARG 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2rov n LEU 3 N 0.00 1.79 -3.56 2.89 7.94 -1.26 -4.86 117.00 119.94 2rov n LEU 3 Ca -0.02 0.43 -0.11 0.00 -1.11 0.00 0.00 56.01 55.20 2rov n LEU 3 Cb 0.14 -1.19 -0.04 0.00 0.53 0.00 0.00 43.42 42.86 2rov n LEU 3 CO 0.06 -0.77 0.25 -1.83 -1.11 0.00 0.00 177.39 173.99 2rov s GLU 4 N 6.35 1.13 0.00 1.96 4.04 -1.26 0.63 118.70 131.54 2rov s GLU 4 Ca 1.12 -0.58 0.00 0.00 0.04 0.00 0.00 54.97 55.55 2rov s GLU 4 Cb -0.98 0.51 0.00 0.00 0.02 0.00 0.00 34.13 33.68 2rov s GLU 4 CO 0.52 -0.45 0.00 0.41 -1.84 0.00 0.00 175.26 173.89 2rov n GLY 5 N -0.19 -0.06 3.15 -3.83 0.00 -0.27 -4.99 105.19 98.99 2rov n GLY 5 Ca -0.17 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 2rov n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rov s TRP 6 N -3.98 2.51 0.13 1.61 0.52 -1.26 -0.66 118.94 117.81 2rov s TRP 6 Ca 0.00 -1.24 0.11 0.00 0.02 0.00 0.00 56.10 54.99 2rov s TRP 6 Cb 0.00 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 2rov s TRP 6 CO 0.00 -0.57 -0.26 -0.51 0.02 0.00 0.00 176.95 175.62 2rov s LEU 7 N 0.83 2.32 -0.14 2.99 1.43 -0.66 -4.73 118.68 120.72 2rov s LEU 7 Ca -0.08 -0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 52.15 2rov s LEU 7 Cb -0.15 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 2rov s LEU 7 CO -0.01 0.16 0.29 -0.44 0.23 0.00 0.00 176.35 176.58 2rov s SER 8 N -2.07 6.47 0.14 2.29 0.01 -0.59 0.02 113.70 119.97 2rov s SER 8 Ca 0.13 0.55 0.11 0.00 1.31 0.00 0.00 55.95 58.05 2rov s SER 8 Cb -0.10 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 2rov s SER 8 CO 0.06 0.16 -0.24 -0.76 0.41 0.00 0.00 173.24 172.87 2rov s LEU 9 N 0.13 2.44 -0.32 2.44 1.02 -0.98 0.23 118.68 123.64 2rov s LEU 9 Ca 0.17 -0.72 -0.28 0.00 0.02 0.00 0.00 54.13 53.32 2rov s LEU 9 Cb -0.13 -1.30 -0.03 0.00 0.02 0.00 0.00 46.19 44.75 2rov s LEU 9 CO 0.05 0.17 1.94 -2.16 0.02 0.00 0.00 176.35 176.37 2rov s PRO 10 N -2.18 3.18 -0.27 1.29 0.04 -1.25 -2.46 135.00 133.35 2rov s PRO 10 Ca 0.16 1.54 -0.04 0.00 0.04 0.00 0.00 61.00 62.70 2rov s PRO 10 Cb -0.10 -4.27 0.02 0.00 0.04 0.00 0.00 34.50 30.18 2rov s PRO 10 CO 0.08 -2.04 0.01 0.54 0.04 0.00 0.00 177.00 175.63 2rov s VAL 11 N 7.64 3.45 -0.44 -0.36 0.11 -1.25 -4.78 120.40 124.76 2rov s VAL 11 Ca 0.85 -0.82 -0.27 0.00 -2.93 0.00 0.00 61.98 58.81 2rov s VAL 11 Cb -0.24 -2.76 -0.03 0.00 -1.53 0.00 0.00 36.38 31.82 2rov s VAL 11 CO 0.33 0.15 1.92 -0.13 -3.33 0.00 0.00 175.10 174.04 2rov s ARG 12 N 1.42 2.92 -0.01 1.54 1.81 -1.26 -1.38 118.95 124.00 2rov s ARG 12 Ca 0.02 1.17 -0.23 0.00 -1.72 0.00 0.00 55.73 54.97 2rov s ARG 12 Cb -0.17 -4.32 -0.15 0.00 -0.45 0.00 0.00 34.95 29.86 2rov s ARG 12 CO -0.01 -2.35 1.02 -0.91 -0.68 0.00 0.00 175.30 172.37 2rov h ASN 13 N 14.56 -0.39 -0.73 0.23 2.35 -1.68 -3.30 115.58 126.62 2rov h ASN 13 Ca -0.30 -0.16 -0.38 0.00 -0.55 0.00 0.00 56.30 54.91 2rov h ASN 13 Cb 1.18 0.10 -0.23 0.00 0.05 0.00 0.00 38.32 39.43 2rov h ASN 13 CO 1.11 0.03 0.34 -0.46 -1.65 0.00 0.00 177.43 176.80 2rov n ASN 14 N -5.12 3.23 -3.18 5.81 2.04 -1.26 -4.90 115.26 111.88 2rov n ASN 14 Ca -0.09 -3.69 -0.23 0.00 -0.44 0.00 0.00 54.58 50.13 2rov n ASN 14 Cb 0.27 -0.75 0.04 0.00 -2.53 0.00 0.00 39.78 36.81 2rov n ASN 14 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2rov n THR 15 N -1.14 -2.12 0.00 5.53 -2.24 -1.24 -4.72 114.28 108.35 2rov n THR 15 Ca 0.49 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.27 2rov n THR 15 Cb 1.40 -3.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.18 2rov n THR 15 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2rov n LYS 16 N -4.22 0.00 -4.28 -0.78 5.02 -1.26 -5.10 118.16 107.54 2rov n LYS 16 Ca -0.08 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.87 2rov n LYS 16 Cb 0.60 -0.03 -0.13 0.00 -0.02 0.00 0.00 35.03 35.46 2rov n LYS 16 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2rov s LYS 17 N -1.83 3.56 -0.26 1.97 0.00 -1.26 -5.01 119.74 116.90 2rov s LYS 17 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 55.97 55.29 2rov s LYS 17 Cb 0.00 -2.93 -0.05 0.00 0.00 0.00 0.00 37.83 34.85 2rov s LYS 17 CO 0.00 0.09 0.20 -0.59 0.00 0.00 0.00 175.35 175.05 2rov s PHE 18 N 0.74 3.26 0.00 1.78 -0.12 -1.26 -1.56 117.98 120.82 2rov s PHE 18 Ca -0.02 0.19 0.00 0.00 -0.05 0.00 0.00 56.93 57.05 2rov s PHE 18 Cb -0.15 -2.36 0.00 0.00 -0.63 0.00 0.00 43.02 39.88 2rov s PHE 18 CO 0.02 -0.09 0.00 0.41 -0.05 0.00 0.00 175.22 175.51 2rov n GLY 19 N 4.76 0.58 3.23 1.99 0.00 -0.48 -4.55 105.19 110.73 2rov n GLY 19 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 2rov n GLY 19 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rov s TRP 20 N 1.94 -0.21 -0.19 1.61 0.52 -1.25 -3.78 118.94 117.58 2rov s TRP 20 Ca 0.00 0.38 -0.05 0.00 0.02 0.00 0.00 56.10 56.45 2rov s TRP 20 Cb 0.00 0.10 0.09 0.00 -1.15 0.00 0.00 33.47 32.51 2rov s TRP 20 CO 0.00 -0.35 0.36 0.54 0.02 0.00 0.00 176.95 177.53 2rov s VAL 21 N -1.03 -0.57 -0.37 4.03 0.11 -1.03 -4.85 120.40 116.69 2rov s VAL 21 Ca -0.11 0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.80 2rov s VAL 21 Cb -0.05 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 2rov s VAL 21 CO 0.03 0.04 1.62 -0.54 -3.33 0.00 0.00 175.10 172.93 2rov s LYS 22 N 2.54 3.43 -0.05 1.54 1.02 -1.24 -2.31 119.74 124.67 2rov s LYS 22 Ca 0.02 1.18 0.01 0.00 0.02 0.00 0.00 55.97 57.21 2rov s LYS 22 Cb -0.13 -4.12 -0.03 0.00 -0.52 0.00 0.00 37.83 33.03 2rov s LYS 22 CO -0.12 -1.74 -0.06 0.15 -0.92 0.00 0.00 175.35 172.66 2rov s LYS 23 N 5.36 2.72 -0.58 1.68 -0.14 0.10 -4.78 119.74 124.10 2rov s LYS 23 Ca 0.71 -0.58 -0.27 0.00 -1.36 0.00 0.00 55.97 54.47 2rov s LYS 23 Cb -0.18 -2.59 -0.02 0.00 -1.68 0.00 0.00 37.83 33.36 2rov s LYS 23 CO 0.33 0.65 1.84 -0.47 -0.76 0.00 0.00 175.35 176.94 2rov s TYR 24 N -0.88 1.70 -0.16 3.18 6.14 0.45 -1.66 117.35 126.12 2rov s TYR 24 Ca 0.14 0.76 -0.07 0.00 0.64 0.00 0.00 57.07 58.54 2rov s TYR 24 Cb -0.11 -4.10 -0.04 0.00 0.42 0.00 0.00 41.96 38.12 2rov s TYR 24 CO 0.04 -2.35 0.08 0.08 0.64 0.00 0.00 175.55 174.03 2rov s VAL 25 N 8.76 4.94 -0.12 3.14 1.01 0.17 0.55 120.40 138.84 2rov s VAL 25 Ca 0.68 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 2rov s VAL 25 Cb -0.13 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.09 2rov s VAL 25 CO 0.22 0.51 0.06 -0.63 0.00 0.00 0.00 175.10 175.26 2rov s ILE 26 N -0.06 0.03 -0.57 2.22 1.01 -0.63 -1.11 121.20 122.09 2rov s ILE 26 Ca 0.07 0.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.51 2rov s ILE 26 Cb -0.12 -0.48 0.05 0.00 0.01 0.00 0.00 42.46 41.92 2rov s ILE 26 CO 0.01 -0.05 0.94 -0.69 0.00 0.00 0.00 174.94 175.15 2rov s VAL 27 N 2.10 4.38 0.66 2.92 1.01 0.20 -0.85 120.40 130.83 2rov s VAL 27 Ca 0.03 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 2rov s VAL 27 Cb -0.14 -4.56 0.01 0.00 0.00 0.00 0.00 36.38 31.68 2rov s VAL 27 CO -0.06 -1.18 1.04 -0.55 0.00 0.00 0.00 175.10 174.34 2rov s SER 28 N 3.02 5.57 -0.29 3.32 0.15 0.37 -4.02 113.70 121.81 2rov s SER 28 Ca 0.28 1.05 -0.34 0.00 0.70 0.00 0.00 55.95 57.64 2rov s SER 28 Cb -0.14 -1.93 -0.10 0.00 -1.71 0.00 0.00 66.02 62.15 2rov s SER 28 CO 0.17 -1.21 2.16 -1.20 1.20 0.00 0.00 173.24 174.36 2rov n SER 29 N -2.86 2.52 -3.19 5.45 7.64 -1.26 -0.60 113.62 121.32 2rov n SER 29 Ca 0.06 0.42 -0.22 0.00 1.01 0.00 0.00 58.87 60.14 2rov n SER 29 Cb 0.57 -1.34 0.06 0.00 -1.01 0.00 0.00 64.21 62.49 2rov n SER 29 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2rov n LYS 30 N 8.14 -6.22 -3.62 1.43 4.76 -1.26 -4.97 118.16 116.42 2rov n LYS 30 Ca 0.37 0.84 -0.08 0.00 -2.87 0.00 0.00 58.31 56.57 2rov n LYS 30 Cb 0.28 -5.71 -0.06 0.00 -1.84 0.00 0.00 35.03 27.71 2rov n LYS 30 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2rov s LYS 31 N -5.96 0.40 -0.12 1.97 2.47 0.23 -4.32 119.74 114.41 2rov s LYS 31 Ca 0.43 0.31 0.01 0.00 -1.56 0.00 0.00 55.97 55.16 2rov s LYS 31 Cb -0.19 0.19 -0.01 0.00 -1.46 0.00 0.00 37.83 36.36 2rov s LYS 31 CO 0.53 -0.08 -0.15 0.42 0.16 0.00 0.00 175.35 176.23 2rov s ILE 32 N -0.32 2.91 0.11 5.43 1.01 0.18 0.14 121.20 130.66 2rov s ILE 32 Ca 0.03 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 60.06 2rov s ILE 32 Cb -0.03 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 2rov s ILE 32 CO -0.06 0.53 -0.21 -0.76 0.00 0.00 0.00 174.94 174.44 2rov s LEU 33 N 0.32 2.55 -0.04 2.97 1.43 -0.03 -0.61 118.68 125.26 2rov s LEU 33 Ca -0.12 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.39 2rov s LEU 33 Cb -0.16 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.65 2rov s LEU 33 CO 0.06 0.19 -0.07 -0.36 0.23 0.00 0.00 176.35 176.40 2rov s PHE 34 N -1.09 0.90 0.20 0.29 0.40 0.32 -1.60 117.98 117.40 2rov s PHE 34 Ca 0.16 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 2rov s PHE 34 Cb -0.10 -0.73 -0.05 0.00 0.51 0.00 0.00 43.02 42.65 2rov s PHE 34 CO 0.08 -0.19 0.05 0.71 0.70 0.00 0.00 175.22 176.57 2rov s TYR 35 N 0.74 1.25 -0.11 0.36 1.51 0.19 0.14 117.35 121.43 2rov s TYR 35 Ca -0.11 -1.14 0.18 0.00 -1.01 0.00 0.00 57.07 54.99 2rov s TYR 35 Cb -0.14 -0.71 -0.26 0.00 -0.11 0.00 0.00 41.96 40.74 2rov s TYR 35 CO 0.01 -0.34 0.22 -0.25 -1.11 0.00 0.00 175.55 174.08 2rov n ASP 36 N -0.29 0.54 -3.73 2.29 9.92 -1.26 -0.41 116.55 123.61 2rov n ASP 36 Ca -0.03 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.16 2rov n ASP 36 Cb 0.64 1.36 -0.02 0.00 -0.64 0.00 0.00 41.12 42.47 2rov n ASP 36 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2rov s SER 37 N -4.79 -0.27 0.20 -2.24 0.01 -1.26 -4.31 113.70 101.04 2rov s SER 37 Ca -0.08 -0.38 -0.07 0.00 1.31 0.00 0.00 55.95 56.72 2rov s SER 37 Cb 0.08 0.57 0.14 0.00 0.21 0.00 0.00 66.02 67.03 2rov s SER 37 CO 0.77 -1.03 1.68 -0.33 0.41 0.00 0.00 173.24 174.75 2rov h GLU 38 N 2.00 1.02 -0.87 12.44 5.08 -1.98 -2.25 114.58 130.02 2rov h GLU 38 Ca -0.23 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 57.84 2rov h GLU 38 Cb 1.25 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 2rov h GLU 38 CO 0.27 0.98 0.58 -0.56 -1.00 0.00 0.00 179.01 179.28 2rov h GLN 39 N 0.94 1.14 -0.03 2.33 3.07 -2.00 -1.17 115.11 119.39 2rov h GLN 39 Ca 0.17 -0.07 -0.14 0.00 0.09 0.00 0.00 58.65 58.70 2rov h GLN 39 Cb 0.51 -0.26 -0.02 0.00 0.08 0.00 0.00 27.48 27.80 2rov h GLN 39 CO 0.02 0.75 -0.62 -0.44 0.09 0.00 0.00 178.83 178.64 2rov h ASP 40 N 1.17 0.14 -0.07 0.06 3.32 -1.86 -3.04 116.42 116.14 2rov h ASP 40 Ca 0.32 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 2rov h ASP 40 Cb -0.12 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 2rov h ASP 40 CO -0.07 0.73 -0.04 0.50 -1.72 0.00 0.00 179.24 178.64 2rov h LYS 41 N 0.09 0.15 -0.02 3.56 3.11 -0.73 -1.62 116.57 121.11 2rov h LYS 41 Ca -0.01 -0.07 0.01 0.00 -2.81 0.00 0.00 60.65 57.77 2rov h LYS 41 Cb 1.12 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.34 2rov h LYS 41 CO 0.09 0.53 0.03 0.93 -2.81 0.00 0.00 179.45 178.21 2rov h GLU 42 N -0.23 0.00 -0.31 1.90 5.08 -1.27 0.99 114.58 120.74 2rov h GLU 42 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2rov h GLU 42 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2rov h GLU 42 CO 0.01 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.06 2rov n GLN 43 N -3.78 1.75 -3.63 2.33 1.13 -1.11 -4.91 117.38 109.16 2rov n GLN 43 Ca -0.02 -1.16 -0.23 0.00 -1.94 0.00 0.00 57.00 53.65 2rov n GLN 43 Cb 0.11 -1.27 0.06 0.00 0.11 0.00 0.00 30.24 29.25 2rov n GLN 43 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2rov n SER 44 N 0.43 -3.88 -3.91 1.08 3.41 0.34 -4.96 113.62 106.14 2rov n SER 44 Ca 0.12 -0.66 -0.30 0.00 -0.26 0.00 0.00 58.87 57.76 2rov n SER 44 Cb 0.28 -4.67 -0.10 0.00 -0.26 0.00 0.00 64.21 59.46 2rov n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2rov n ASN 45 N -3.02 3.50 -4.61 4.04 2.85 -0.63 -5.05 115.26 112.34 2rov n ASN 45 Ca -0.13 -3.22 -0.43 0.00 -0.11 0.00 0.00 54.58 50.69 2rov n ASN 45 Cb 0.61 -0.84 -0.02 0.00 1.24 0.00 0.00 39.78 40.77 2rov n ASN 45 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2rov s PRO 46 N -1.59 3.63 0.44 1.20 0.04 -1.26 -4.61 135.00 132.85 2rov s PRO 46 Ca 0.27 1.14 0.11 0.00 0.04 0.00 0.00 61.00 62.56 2rov s PRO 46 Cb -0.03 -4.02 1.00 0.00 0.04 0.00 0.00 34.50 31.49 2rov s PRO 46 CO -0.14 -1.49 2.07 -0.92 0.04 0.00 0.00 177.00 176.56 2rov h TYR 47 N 10.73 0.36 -2.59 0.56 3.20 -0.66 -3.44 116.97 125.13 2rov h TYR 47 Ca -0.29 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.54 2rov h TYR 47 Cb 1.12 -0.12 -0.16 0.00 1.54 0.00 0.00 36.73 39.11 2rov h TYR 47 CO 0.94 0.22 0.15 1.41 -1.64 0.00 0.00 178.16 179.24 2rov s MET 48 N -5.36 1.13 -0.16 1.82 1.75 -0.87 -4.99 119.30 112.61 2rov s MET 48 Ca -0.07 -0.15 -0.09 0.00 -1.25 0.00 0.00 55.69 54.13 2rov s MET 48 Cb 0.18 0.52 0.06 0.00 2.84 0.00 0.00 34.83 38.43 2rov s MET 48 CO 0.72 -0.42 0.39 0.54 -0.65 0.00 0.00 175.02 175.60 2rov s VAL 49 N -2.47 -0.05 0.15 10.11 0.11 -1.26 0.12 120.40 127.11 2rov s VAL 49 Ca -0.05 0.10 0.10 0.00 -2.93 0.00 0.00 61.98 59.20 2rov s VAL 49 Cb -0.01 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2rov s VAL 49 CO -0.02 0.04 -0.22 -0.76 -3.33 0.00 0.00 175.10 170.82 2rov s LEU 50 N 1.42 2.38 -0.10 2.54 1.02 0.22 -4.97 118.68 121.18 2rov s LEU 50 Ca -0.09 -0.79 -0.18 0.00 0.02 0.00 0.00 54.13 53.08 2rov s LEU 50 Cb -0.09 -0.99 -0.04 0.00 0.02 0.00 0.00 46.19 45.09 2rov s LEU 50 CO -0.12 0.06 0.48 -1.81 0.02 0.00 0.00 176.35 174.99 2rov s ASP 51 N -2.34 6.71 0.29 2.29 1.11 -1.26 0.47 116.67 123.93 2rov s ASP 51 Ca 0.14 0.85 -0.02 0.00 0.18 0.00 0.00 52.55 53.70 2rov s ASP 51 Cb -0.08 -2.29 0.44 0.00 1.07 0.00 0.00 42.92 42.06 2rov s ASP 51 CO 0.07 0.02 1.93 0.40 1.18 0.00 0.00 175.17 178.77 2rov h ILE 52 N 4.63 1.15 -0.05 0.77 1.08 -1.89 -1.22 117.51 121.98 2rov h ILE 52 Ca -0.42 -0.39 -0.10 0.00 -0.39 0.00 0.00 64.86 63.56 2rov h ILE 52 Cb 1.18 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 2rov h ILE 52 CO 0.74 0.21 -0.43 -0.78 -0.69 0.00 0.00 178.15 177.20 2rov h ASP 53 N 1.13 0.12 0.45 1.72 1.82 -1.90 -2.59 116.42 117.16 2rov h ASP 53 Ca 0.36 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.92 2rov h ASP 53 Cb 0.03 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.00 2rov h ASP 53 CO -0.11 0.54 -0.16 0.11 -1.61 0.00 0.00 179.24 178.01 2rov h LYS 54 N 0.09 0.00 -6.70 0.28 1.57 -1.62 -3.45 116.57 106.74 2rov h LYS 54 Ca 0.01 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.21 2rov h LYS 54 Cb 0.81 0.00 0.12 0.00 0.08 0.00 0.00 32.23 33.24 2rov h LYS 54 CO 0.06 0.16 0.35 1.28 -0.57 0.00 0.00 179.45 180.73 2rov n LEU 55 N -3.66 3.19 -0.06 2.94 4.77 -0.98 -2.39 117.00 120.81 2rov n LEU 55 Ca -0.02 1.12 -0.08 0.00 -0.03 0.00 0.00 56.01 57.01 2rov n LEU 55 Cb 0.28 -1.42 -0.07 0.00 -2.33 0.00 0.00 43.42 39.88 2rov n LEU 55 CO 0.32 -0.95 -0.90 0.49 -1.33 0.00 0.00 177.39 175.02 2rov n PHE 56 N -0.08 0.00 -3.52 -1.77 3.72 0.17 -4.91 117.46 111.07 2rov n PHE 56 Ca 0.07 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.50 2rov n PHE 56 Cb 0.37 -0.51 -0.05 0.00 -0.94 0.00 0.00 39.48 38.35 2rov n PHE 56 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2rov s HIS 57 N -2.26 -0.09 -0.17 1.38 2.46 -1.22 -5.00 115.29 110.38 2rov s HIS 57 Ca -0.13 0.17 0.01 0.00 0.47 0.00 0.00 55.06 55.58 2rov s HIS 57 Cb 0.04 0.05 0.03 0.00 -0.13 0.00 0.00 32.58 32.57 2rov s HIS 57 CO 0.35 -0.04 -0.16 0.54 -2.47 0.00 0.00 174.74 172.96 2rov s VAL 58 N 1.34 1.79 0.08 0.89 0.11 -1.26 -1.30 120.40 122.05 2rov s VAL 58 Ca -0.06 -0.85 -0.09 0.00 -2.93 0.00 0.00 61.98 58.05 2rov s VAL 58 Cb -0.02 -1.69 0.00 0.00 -1.53 0.00 0.00 36.38 33.14 2rov s VAL 58 CO -0.12 0.42 0.19 -0.13 -3.33 0.00 0.00 175.10 172.14 2rov s ARG 59 N 1.38 0.81 0.61 1.54 1.81 -0.43 -4.97 118.95 119.70 2rov s ARG 59 Ca 0.03 -0.88 -0.19 0.00 -1.72 0.00 0.00 55.73 52.97 2rov s ARG 59 Cb -0.14 0.33 -0.03 0.00 -0.45 0.00 0.00 34.95 34.67 2rov s ARG 59 CO -0.11 -0.25 1.27 -0.35 -0.68 0.00 0.00 175.30 175.18 2rov n PRO 60 N 0.11 1.28 -2.71 3.54 -0.04 -1.26 -1.00 135.00 134.92 2rov n PRO 60 Ca -0.16 0.49 -0.22 0.00 -0.04 0.00 0.00 63.50 63.57 2rov n PRO 60 Cb 0.62 -2.50 0.07 0.00 -0.04 0.00 0.00 33.50 31.65 2rov n PRO 60 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2rov s VAL 61 N -1.37 2.34 0.16 0.52 -7.23 -0.14 -4.74 120.40 109.94 2rov s VAL 61 Ca 0.78 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 2rov s VAL 61 Cb -0.40 -2.63 -0.00 0.00 0.56 0.00 0.00 36.38 33.91 2rov s VAL 61 CO 0.44 0.00 0.02 0.35 -0.31 0.00 0.00 175.10 175.60 2rov n THR 62 N -2.53 0.00 0.32 5.32 -2.24 -1.26 -4.70 114.28 109.19 2rov n THR 62 Ca 0.13 -0.80 0.11 0.00 -2.27 0.00 0.00 64.05 61.22 2rov n THR 62 Cb 0.60 0.21 0.51 0.00 -2.10 0.00 0.00 70.33 69.55 2rov n THR 62 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2rov n GLN 63 N -0.38 0.17 0.08 -0.78 -0.06 -1.26 -2.02 117.38 113.12 2rov n GLN 63 Ca -0.05 0.49 -0.06 0.00 -2.00 0.00 0.00 57.00 55.37 2rov n GLN 63 Cb 0.21 -1.88 -0.06 0.00 -4.06 0.00 0.00 30.24 24.44 2rov n GLN 63 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2rov h THR 64 N 0.00 1.65 0.00 1.69 1.35 -2.02 -3.21 112.91 112.37 2rov h THR 64 Ca 0.00 -3.14 -0.02 0.00 -0.55 0.00 0.00 66.41 62.70 2rov h THR 64 Cb 0.24 2.71 -0.00 0.00 -1.73 0.00 0.00 68.15 69.36 2rov h THR 64 CO 0.00 0.90 -0.10 -0.78 -0.25 0.00 0.00 175.52 175.29 2rov h ASP 65 N 0.01 0.00 -4.37 5.36 1.82 -1.80 -3.44 116.42 114.00 2rov h ASP 65 Ca -0.02 0.00 -0.42 0.00 -0.39 0.00 0.00 57.03 56.21 2rov h ASP 65 Cb 1.64 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 41.55 2rov h ASP 65 CO 0.12 0.10 -0.38 1.33 -1.61 0.00 0.00 179.24 178.80 2rov n VAL 66 N -4.00 0.00 0.00 2.25 0.24 -1.21 -5.06 118.33 110.55 2rov n VAL 66 Ca -0.02 -1.96 0.00 0.00 -2.04 0.00 0.00 64.34 60.32 2rov n VAL 66 Cb 0.19 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 2rov n VAL 66 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rov n TYR 67 N -0.62 -0.53 0.28 6.34 4.11 -1.26 -4.85 117.16 120.62 2rov n TYR 67 Ca 0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.04 2rov n TYR 67 Cb 0.49 0.35 0.27 0.00 -0.00 0.00 0.00 39.34 40.45 2rov n TYR 67 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.86 176.93 2rov h ARG 68 N 0.00 0.00 0.00 -3.48 -0.00 -1.95 -3.46 114.38 105.49 2rov h ARG 68 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2rov h ARG 68 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2rov h ARG 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.97 179.97 2rov n ALA 69 N -2.06 0.00 -2.50 0.08 0.00 -1.26 -5.04 120.51 109.74 2rov n ALA 69 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 2rov n ALA 69 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 2rov n ALA 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2rov s ASP 70 N -1.97 2.43 0.53 0.00 -1.08 -1.26 -5.02 116.67 110.31 2rov s ASP 70 Ca 0.00 -0.53 0.30 0.00 -0.52 0.00 0.00 52.55 51.80 2rov s ASP 70 Cb 0.00 -0.19 1.45 0.00 -1.46 0.00 0.00 42.92 42.72 2rov s ASP 70 CO 0.00 0.14 1.91 0.00 0.52 0.00 0.00 175.17 177.75 2rov h ALA 71 N 4.81 2.75 0.00 3.66 0.00 -1.97 0.54 119.26 129.04 2rov h ALA 71 Ca -0.43 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 2rov h ALA 71 Cb 1.16 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2rov h ALA 71 CO 0.43 -0.98 -0.58 0.87 0.00 0.00 0.00 179.25 179.00 2rov h LYS 72 N 0.01 0.00 0.23 0.00 1.57 -2.02 -3.29 116.57 113.07 2rov h LYS 72 Ca 0.38 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.83 2rov h LYS 72 Cb 1.53 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.87 2rov h LYS 72 CO -0.01 0.58 -1.43 0.93 -0.57 0.00 0.00 179.45 178.95 2rov h GLU 73 N 0.00 0.57 -0.79 3.15 4.39 -0.40 -3.36 114.58 118.14 2rov h GLU 73 Ca -0.01 -0.91 0.14 0.00 0.34 0.00 0.00 59.36 58.92 2rov h GLU 73 Cb 1.35 0.33 -0.14 0.00 -0.10 0.00 0.00 28.75 30.19 2rov h GLU 73 CO 0.08 1.43 -0.30 0.82 -1.16 0.00 0.00 179.01 179.88 2rov h ILE 74 N 0.17 0.12 0.00 3.13 1.08 -1.22 0.82 117.51 121.62 2rov h ILE 74 Ca -0.24 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2rov h ILE 74 Cb 2.12 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 2rov h ILE 74 CO 0.27 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.92 2rov n PRO 75 N -5.48 0.07 -0.16 2.37 -0.04 -1.26 -1.64 135.00 128.86 2rov n PRO 75 Ca 0.09 0.43 0.09 0.00 -0.04 0.00 0.00 63.50 64.06 2rov n PRO 75 Cb 0.39 -1.67 0.17 0.00 -0.04 0.00 0.00 33.50 32.35 2rov n PRO 75 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rov n ARG 76 N -1.81 2.23 -4.67 0.54 1.74 0.28 -4.76 116.66 110.21 2rov n ARG 76 Ca 0.01 -2.03 -0.33 0.00 -0.77 0.00 0.00 57.85 54.74 2rov n ARG 76 Cb 0.11 -1.39 -0.13 0.00 -1.02 0.00 0.00 32.46 30.03 2rov n ARG 76 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2rov s ILE 77 N -1.19 3.32 0.19 0.55 1.01 -0.65 0.75 121.20 125.19 2rov s ILE 77 Ca 0.30 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 60.46 2rov s ILE 77 Cb 0.17 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 2rov s ILE 77 CO 0.24 0.52 -0.16 0.72 0.00 0.00 0.00 174.94 176.25 2rov s PHE 78 N 0.23 1.80 0.01 3.97 -0.71 -0.90 -0.97 117.98 121.41 2rov s PHE 78 Ca -0.07 -0.51 0.08 0.00 -1.04 0.00 0.00 56.93 55.40 2rov s PHE 78 Cb -0.15 -0.86 -0.02 0.00 -1.21 0.00 0.00 43.02 40.78 2rov s PHE 78 CO 0.04 0.38 -0.25 -1.14 -1.34 0.00 0.00 175.22 172.91 2rov s GLN 79 N -3.26 1.90 -0.17 1.99 0.74 -0.17 -1.86 119.66 118.83 2rov s GLN 79 Ca 0.20 -1.00 0.00 0.00 0.05 0.00 0.00 55.36 54.62 2rov s GLN 79 Cb -0.03 -1.95 0.04 0.00 1.10 0.00 0.00 33.01 32.17 2rov s GLN 79 CO 0.07 0.52 -0.09 0.42 -0.55 0.00 0.00 175.29 175.67 2rov s ILE 80 N -0.70 1.36 -0.05 -2.34 1.01 -0.62 -1.32 121.20 118.54 2rov s ILE 80 Ca 0.10 -0.73 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 2rov s ILE 80 Cb -0.10 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 2rov s ILE 80 CO 0.01 0.22 0.58 -0.22 0.00 0.00 0.00 174.94 175.52 2rov s LEU 81 N 1.54 4.36 -0.01 2.97 2.96 -0.42 -0.31 118.68 129.77 2rov s LEU 81 Ca 0.01 1.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.94 2rov s LEU 81 Cb -0.15 -2.88 -0.00 0.00 0.50 0.00 0.00 46.19 43.66 2rov s LEU 81 CO -0.08 0.04 0.09 -0.72 -1.32 0.00 0.00 176.35 174.35 2rov s TYR 82 N 0.20 0.04 -0.07 5.38 1.13 0.10 0.44 117.35 124.56 2rov s TYR 82 Ca 0.31 -0.08 -0.30 0.00 -1.41 0.00 0.00 57.07 55.59 2rov s TYR 82 Cb -0.17 -0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.60 2rov s TYR 82 CO 0.15 -0.18 1.40 0.00 -2.51 0.00 0.00 175.55 174.41 2rov s ALA 83 N -0.88 3.61 -0.24 9.51 0.00 -1.00 -1.86 121.76 130.89 2rov s ALA 83 Ca -0.10 0.73 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 2rov s ALA 83 Cb -0.06 -3.63 -0.17 0.00 0.00 0.00 0.00 23.12 19.26 2rov s ALA 83 CO 0.00 -1.10 -0.12 0.27 0.00 0.00 0.00 175.76 174.81 2rov n ASN 84 N 6.19 1.99 0.00 0.00 0.23 -1.26 -4.84 115.26 117.57 2rov n ASN 84 Ca 0.14 0.11 0.00 0.00 -0.53 0.00 0.00 54.58 54.30 2rov n ASN 84 Cb 0.44 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 2rov n ASN 84 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2rov n GLU 85 N -3.69 0.00 0.00 -3.83 1.02 -1.26 -5.06 120.64 107.82 2rov n GLU 85 Ca -0.45 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.69 2rov n GLU 85 Cb 0.94 -0.78 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 2rov n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rov n GLY 86 N 3.00 1.37 1.84 0.62 0.00 -1.26 -5.08 105.19 105.68 2rov n GLY 86 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2rov n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2rov n ILE 87 N 0.00 0.07 0.08 -0.61 -0.00 -1.26 -4.72 119.36 112.92 2rov n ILE 87 Ca 0.00 0.02 0.08 0.00 -0.00 0.00 0.00 62.75 62.86 2rov n ILE 87 Cb 0.00 -0.35 0.54 0.00 -0.00 0.00 0.00 39.64 39.83 2rov n ILE 87 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 2rov h SER 88 N 0.00 0.24 1.64 4.38 0.87 -2.00 0.05 113.55 118.73 2rov h SER 88 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rov h SER 88 Cb 0.00 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2rov h SER 88 CO 0.00 0.17 0.00 0.28 -0.53 0.00 0.00 176.83 176.75 2rov h SER 89 N 0.28 0.00 -0.88 6.23 0.02 -1.97 -3.46 113.55 113.76 2rov h SER 89 Ca 0.13 0.00 -0.85 0.00 -0.84 0.00 0.00 61.79 60.23 2rov h SER 89 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2rov h SER 89 CO -0.03 0.00 0.73 0.00 -1.14 0.00 0.00 176.83 176.40 2rov n ALA 90 N -2.08 -1.17 -2.23 3.77 0.00 0.00 -4.70 120.51 114.10 2rov n ALA 90 Ca 0.03 0.46 -0.18 0.00 0.00 0.00 0.00 53.44 53.75 2rov n ALA 90 Cb 0.45 -1.89 0.12 0.00 0.00 0.00 0.00 19.45 18.13 2rov n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2rov n LYS 91 N 4.24 -0.39 -4.32 0.00 4.76 -0.78 -4.74 118.16 116.93 2rov n LYS 91 Ca 0.33 -1.99 -0.17 0.00 -2.87 0.00 0.00 58.31 53.61 2rov n LYS 91 Cb -0.06 -0.76 -0.10 0.00 -1.84 0.00 0.00 35.03 32.27 2rov n LYS 91 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2rov s ASN 92 N -4.54 2.01 -0.14 4.39 6.03 -1.26 -0.72 114.94 120.71 2rov s ASN 92 Ca 0.56 -1.13 0.01 0.00 -1.03 0.00 0.00 52.86 51.27 2rov s ASN 92 Cb -0.02 -0.03 0.02 0.00 -3.03 0.00 0.00 41.25 38.18 2rov s ASN 92 CO 0.38 -0.40 -0.17 -0.22 -2.03 0.00 0.00 177.10 174.67 2rov s LEU 93 N -3.28 1.85 -0.24 3.54 0.20 0.58 -4.90 118.68 116.43 2rov s LEU 93 Ca 0.24 -0.53 -0.14 0.00 0.69 0.00 0.00 54.13 54.39 2rov s LEU 93 Cb 0.04 -1.27 -0.04 0.00 -0.43 0.00 0.00 46.19 44.49 2rov s LEU 93 CO 0.06 -0.01 0.34 -0.76 -0.29 0.00 0.00 176.35 175.70 2rov s LEU 94 N 1.22 4.09 -0.15 -0.68 2.01 -1.26 -1.59 118.68 122.32 2rov s LEU 94 Ca 0.00 0.33 -0.00 0.00 0.01 0.00 0.00 54.13 54.47 2rov s LEU 94 Cb -0.14 -2.40 0.04 0.00 0.01 0.00 0.00 46.19 43.70 2rov s LEU 94 CO -0.08 -0.11 -0.07 -0.76 1.01 0.00 0.00 176.35 176.35 2rov s LEU 95 N 1.67 1.52 -0.27 1.79 1.43 -0.78 -4.24 118.68 119.80 2rov s LEU 95 Ca 0.15 -0.56 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 2rov s LEU 95 Cb -0.15 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 2rov s LEU 95 CO 0.09 -0.15 0.61 -0.22 0.23 0.00 0.00 176.35 176.90 2rov s LEU 96 N 1.64 4.08 -0.03 1.79 2.96 0.14 -2.13 118.68 127.13 2rov s LEU 96 Ca 0.02 0.60 -0.18 0.00 -0.22 0.00 0.00 54.13 54.35 2rov s LEU 96 Cb -0.14 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.68 2rov s LEU 96 CO -0.08 -0.39 0.51 0.00 -1.32 0.00 0.00 176.35 175.07 2rov s ALA 97 N 2.50 3.55 0.53 5.97 0.00 0.23 -1.54 121.76 132.99 2rov s ALA 97 Ca 0.25 -0.10 0.27 0.00 0.00 0.00 0.00 51.96 52.38 2rov s ALA 97 Cb -0.15 -2.61 1.41 0.00 0.00 0.00 0.00 23.12 21.76 2rov s ALA 97 CO 0.09 0.23 1.96 -0.91 0.00 0.00 0.00 175.76 177.14 2rov h ASN 98 N 5.56 0.02 -4.64 0.00 2.35 -1.85 -3.42 115.58 113.60 2rov h ASN 98 Ca -0.46 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 54.99 2rov h ASN 98 Cb 1.20 -0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.35 2rov h ASN 98 CO 0.68 0.01 -0.74 -0.44 -1.65 0.00 0.00 177.43 175.29 2rov s SER 99 N -6.04 0.97 0.18 5.81 0.01 -1.26 -5.05 113.70 108.32 2rov s SER 99 Ca -0.05 -0.52 -0.12 0.00 1.31 0.00 0.00 55.95 56.57 2rov s SER 99 Cb 0.20 0.01 0.17 0.00 0.21 0.00 0.00 66.02 66.61 2rov s SER 99 CO 0.74 -0.16 1.77 0.74 0.41 0.00 0.00 173.24 176.74 2rov h THR 100 N 4.51 0.88 -0.82 1.44 2.02 -1.86 -1.41 112.91 117.68 2rov h THR 100 Ca -0.36 -0.15 0.14 0.00 0.77 0.00 0.00 66.41 66.81 2rov h THR 100 Cb 1.20 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 2rov h THR 100 CO 0.41 0.08 0.54 -0.33 0.37 0.00 0.00 175.52 176.59 2rov h GLU 101 N 0.43 0.57 -0.80 6.66 5.08 -1.96 -0.25 114.58 124.31 2rov h GLU 101 Ca 0.24 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2rov h GLU 101 Cb 0.21 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2rov h GLU 101 CO -0.21 0.38 0.38 1.49 -1.00 0.00 0.00 179.01 180.04 2rov h GLU 102 N 0.59 1.16 -0.27 2.33 4.57 -1.64 -1.83 114.58 119.48 2rov h GLU 102 Ca 0.41 -0.17 -0.10 0.00 -1.18 0.00 0.00 59.36 58.32 2rov h GLU 102 Cb 0.73 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2rov h GLU 102 CO -0.16 0.89 -0.24 0.37 -1.18 0.00 0.00 179.01 178.69 2rov h GLN 103 N 1.14 0.51 -0.31 1.92 -0.00 -0.92 0.30 115.11 117.75 2rov h GLN 103 Ca 0.28 -0.19 -0.14 0.00 -0.00 0.00 0.00 58.65 58.59 2rov h GLN 103 Cb 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.57 2rov h GLN 103 CO -0.03 0.72 -0.36 1.96 0.00 0.00 0.00 178.83 181.11 2rov h GLN 104 N 0.45 0.72 -0.00 1.69 1.08 -0.96 -2.09 115.11 116.00 2rov h GLN 104 Ca 0.07 -0.35 -0.02 0.00 -1.45 0.00 0.00 58.65 56.89 2rov h GLN 104 Cb 0.67 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2rov h GLN 104 CO 0.05 0.97 -0.07 -0.22 -0.95 0.00 0.00 178.83 178.60 2rov h LYS 105 N 0.60 0.05 -0.10 1.46 3.64 -1.13 -1.37 116.57 119.71 2rov h LYS 105 Ca 0.06 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2rov h LYS 105 Cb 0.90 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 2rov h LYS 105 CO 0.08 0.80 -0.11 -1.49 -2.27 0.00 0.00 179.45 176.46 2rov h TRP 106 N -0.67 -0.26 -0.12 1.91 4.06 -0.98 0.38 115.95 120.26 2rov h TRP 106 Ca -0.01 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 2rov h TRP 106 Cb 0.82 0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 29.11 2rov h TRP 106 CO 0.19 -0.16 -0.01 0.28 -3.56 0.00 0.00 178.44 175.17 2rov h VAL 107 N -0.13 1.27 -0.66 1.49 2.07 -1.49 0.01 116.25 118.81 2rov h VAL 107 Ca 0.08 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 2rov h VAL 107 Cb 0.24 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2rov h VAL 107 CO -0.18 0.25 0.33 0.28 0.02 0.00 0.00 177.57 178.27 2rov h SER 108 N -0.07 0.83 0.10 0.57 0.02 -1.08 0.16 113.55 114.08 2rov h SER 108 Ca 0.03 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2rov h SER 108 Cb 0.39 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2rov h SER 108 CO 0.01 0.69 -0.05 0.03 -1.14 0.00 0.00 176.83 176.38 2rov h ARG 109 N 0.92 -0.12 -0.63 3.45 2.47 -0.20 -1.92 114.38 118.35 2rov h ARG 109 Ca 0.23 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.95 2rov h ARG 109 Cb 0.07 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 2rov h ARG 109 CO -0.03 0.38 0.34 1.37 0.56 0.00 0.00 179.97 182.59 2rov h LEU 110 N -0.90 0.77 -0.21 3.04 8.10 -0.97 -1.70 115.31 123.44 2rov h LEU 110 Ca -0.01 -0.06 -0.14 0.00 0.11 0.00 0.00 57.88 57.78 2rov h LEU 110 Cb 0.56 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 40.58 2rov h LEU 110 CO 0.02 0.62 -0.41 1.62 -4.11 0.00 0.00 178.44 176.18 2rov h VAL 111 N 0.87 1.32 0.00 0.15 3.04 -0.77 -2.98 116.25 117.88 2rov h VAL 111 Ca 0.22 -1.63 -0.01 0.00 -1.01 0.00 0.00 66.70 64.27 2rov h VAL 111 Cb 0.02 1.82 -0.00 0.00 -2.01 0.00 0.00 31.29 31.13 2rov h VAL 111 CO -0.04 0.51 -0.05 0.11 -1.01 0.00 0.00 177.57 177.09 2rov h LYS 112 N 0.35 0.00 0.00 4.17 1.57 -0.99 -0.51 116.57 121.17 2rov h LYS 112 Ca 0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2rov h LYS 112 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2rov h LYS 112 CO 0.09 0.05 -0.22 0.87 -0.57 0.00 0.00 179.45 179.68 2rov h LYS 113 N 0.00 0.00 -6.71 3.15 1.57 -1.18 -3.45 116.57 109.96 2rov h LYS 113 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2rov h LYS 113 Cb 0.10 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.48 2rov h LYS 113 CO 0.01 0.22 0.90 -0.89 -0.57 0.00 0.00 179.45 179.11 2rov n ILE 114 N -3.31 0.59 0.08 1.86 5.41 -0.20 -4.85 119.36 118.93 2rov n ILE 114 Ca 0.01 -0.15 -0.21 0.00 1.00 0.00 0.00 62.75 63.40 2rov n ILE 114 Cb 0.46 -1.90 -0.14 0.00 -0.71 0.00 0.00 39.64 37.35 2rov n ILE 114 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2rov h PRO 115 N 5.52 0.41 -1.62 0.38 0.13 -1.87 -3.32 132.00 131.62 2rov h PRO 115 Ca -0.45 -0.65 -0.54 0.00 -0.87 0.00 0.00 66.00 63.49 2rov h PRO 115 Cb 1.22 0.23 -0.21 0.00 0.13 0.00 0.00 31.00 32.38 2rov h PRO 115 CO 0.85 1.30 0.64 1.63 -0.23 0.00 0.00 178.00 182.19 2rov n LYS 116 N -4.00 2.36 0.00 0.86 5.02 -1.26 -5.15 118.16 115.99 2rov n LYS 116 Ca -0.14 -2.56 0.02 0.00 -2.02 0.00 0.00 58.31 53.60 2rov n LYS 116 Cb 0.90 -2.05 0.12 0.00 -0.02 0.00 0.00 35.03 33.98 2rov n LYS 116 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05