#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 0.35 -1.39 1.43 0.00 -1.26 -5.07 116.66 110.72 2rov n ARG 2 Ca 0.00 -1.44 -0.55 0.00 -0.00 0.00 0.00 57.85 55.86 2rov n ARG 2 Cb 0.00 1.06 -0.09 0.00 -0.00 0.00 0.00 32.46 33.43 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 1.57 -3.51 2.89 7.94 -1.26 -4.84 117.00 119.79 2rov n LEU 3 Ca 0.02 0.58 -0.12 0.00 -1.11 0.00 0.00 56.01 55.38 2rov n LEU 3 Cb 0.26 -1.10 -0.03 0.00 0.53 0.00 0.00 43.42 43.08 2rov n LEU 3 CO 0.13 -0.73 0.30 -1.83 -1.11 0.00 0.00 177.39 174.16 2rov s GLU 4 N 5.88 1.18 0.00 1.96 -1.05 -1.26 0.64 118.70 126.05 2rov s GLU 4 Ca 1.13 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 55.42 2rov s GLU 4 Cb -1.15 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 33.08 2rov s GLU 4 CO 0.58 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.71 2rov n GLY 5 N -0.25 -0.07 3.08 -3.83 0.00 -0.29 -4.99 105.19 98.84 2rov n GLY 5 Ca -0.17 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 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 -4.00 2.12 0.13 1.61 0.52 -1.26 -0.84 118.94 117.22 2rov s TRP 6 Ca 0.00 -1.02 0.11 0.00 0.02 0.00 0.00 56.10 55.21 2rov s TRP 6 Cb 0.00 -1.51 -0.04 0.00 -1.15 0.00 0.00 33.47 30.77 2rov s TRP 6 CO 0.00 -0.51 -0.26 -0.51 0.02 0.00 0.00 176.95 175.69 2rov s LEU 7 N 0.97 2.33 -0.07 2.99 1.43 -0.65 -4.79 118.68 120.89 2rov s LEU 7 Ca -0.06 -0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 52.12 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 -0.02 0.16 0.42 -0.44 0.23 0.00 0.00 176.35 176.70 2rov s SER 8 N -2.11 6.70 0.21 2.29 0.01 0.13 0.00 113.70 120.94 2rov s SER 8 Ca 0.14 0.83 0.11 0.00 1.31 0.00 0.00 55.95 58.34 2rov s SER 8 Cb -0.10 -2.25 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 2rov s SER 8 CO 0.06 0.16 -0.22 -0.76 0.41 0.00 0.00 173.24 172.89 2rov s LEU 9 N -0.14 2.51 -0.41 2.44 1.02 -0.85 0.59 118.68 123.83 2rov s LEU 9 Ca 0.23 -0.88 -0.28 0.00 0.02 0.00 0.00 54.13 53.23 2rov s LEU 9 Cb -0.15 -1.19 -0.02 0.00 0.02 0.00 0.00 46.19 44.84 2rov s LEU 9 CO 0.11 0.10 1.88 -2.16 0.02 0.00 0.00 176.35 176.30 2rov s PRO 10 N -2.85 3.03 0.32 1.29 0.04 -1.26 -2.41 135.00 133.16 2rov s PRO 10 Ca 0.23 1.23 0.09 0.00 0.04 0.00 0.00 61.00 62.59 2rov s PRO 10 Cb -0.07 -4.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 2rov s PRO 10 CO 0.11 -2.22 0.07 0.14 0.04 0.00 0.00 177.00 175.14 2rov s VAL 11 N 7.98 3.08 -1.06 -0.36 -7.23 -1.15 -4.95 120.40 116.71 2rov s VAL 11 Ca 0.79 -1.82 0.12 0.00 -1.81 0.00 0.00 61.98 59.26 2rov s VAL 11 Cb -0.20 -2.90 0.32 0.00 0.56 0.00 0.00 36.38 34.16 2rov s VAL 11 CO 0.29 -0.25 1.26 0.54 -0.31 0.00 0.00 175.10 176.63 2rov n ARG 12 N -1.03 2.72 0.00 4.82 1.74 -1.26 -0.78 116.66 122.87 2rov n ARG 12 Ca -0.04 -2.05 0.00 0.00 -0.77 0.00 0.00 57.85 54.98 2rov n ARG 12 Cb 0.61 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 2rov n ARG 12 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2rov n ASN 13 N 0.63 0.00 -0.07 0.55 5.03 -1.26 -1.96 115.26 118.19 2rov n ASN 13 Ca 0.12 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.44 2rov n ASN 13 Cb 0.44 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.15 2rov n ASN 13 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 2rov n ASN 14 N 1.65 1.55 0.02 6.41 6.94 -1.26 -5.07 115.26 125.50 2rov n ASN 14 Ca 0.00 0.26 0.00 0.00 -0.02 0.00 0.00 54.58 54.82 2rov n ASN 14 Cb 0.00 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 36.82 2rov n ASN 14 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2rov n THR 15 N -4.04 0.00 0.08 5.53 -2.24 -0.83 -4.97 114.28 107.82 2rov n THR 15 Ca -0.23 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 2rov n THR 15 Cb 0.55 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.69 2rov n THR 15 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2rov h LYS 16 N 0.00 0.46 -7.38 -0.78 1.57 -1.99 -3.46 116.57 104.99 2rov h LYS 16 Ca 0.00 -0.59 -0.43 0.00 -1.87 0.00 0.00 60.65 57.77 2rov h LYS 16 Cb 0.00 0.19 0.18 0.00 0.08 0.00 0.00 32.23 32.68 2rov h LYS 16 CO 0.00 1.23 0.15 0.21 -0.57 0.00 0.00 179.45 180.47 2rov s LYS 17 N -3.04 -0.69 0.01 3.15 2.36 -1.25 -5.04 119.74 115.24 2rov s LYS 17 Ca -0.07 0.13 -0.28 0.00 -2.55 0.00 0.00 55.97 53.21 2rov s LYS 17 Cb 0.07 -1.64 0.09 0.00 -1.05 0.00 0.00 37.83 35.30 2rov s LYS 17 CO 0.89 -3.40 1.25 -0.59 1.55 0.00 0.00 175.35 175.06 2rov s PHE 18 N -2.99 0.03 0.00 4.03 -0.12 -1.25 -3.99 117.98 113.69 2rov s PHE 18 Ca 0.69 -0.19 0.00 0.00 -0.05 0.00 0.00 56.93 57.38 2rov s PHE 18 Cb -0.13 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 2rov s PHE 18 CO 0.57 -0.36 0.00 0.41 -0.05 0.00 0.00 175.22 175.79 2rov n GLY 19 N -0.88 -0.54 3.21 1.99 0.00 0.04 -4.86 105.19 104.16 2rov n GLY 19 Ca 0.03 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 1.12 -0.20 1.61 0.52 -1.26 -2.91 118.94 117.82 2rov s TRP 20 Ca 0.00 -0.74 -0.05 0.00 0.02 0.00 0.00 56.10 55.33 2rov s TRP 20 Cb 0.00 -0.60 0.10 0.00 -1.15 0.00 0.00 33.47 31.82 2rov s TRP 20 CO 0.00 0.01 0.38 0.54 0.02 0.00 0.00 176.95 177.90 2rov s VAL 21 N -2.98 -0.59 -0.38 4.03 0.11 -1.01 -4.85 120.40 114.74 2rov s VAL 21 Ca 0.11 0.13 -0.29 0.00 -2.93 0.00 0.00 61.98 59.00 2rov s VAL 21 Cb 0.01 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 2rov s VAL 21 CO -0.00 0.03 1.62 -0.54 -3.33 0.00 0.00 175.10 172.87 2rov s LYS 22 N 2.56 3.43 -0.01 1.54 1.02 -1.25 -2.01 119.74 125.02 2rov s LYS 22 Ca 0.02 1.18 0.03 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 -0.13 -1.74 -0.06 0.15 -0.92 0.00 0.00 175.35 172.66 2rov s LYS 23 N 5.36 2.62 -0.46 1.68 -0.14 0.10 -4.79 119.74 124.10 2rov s LYS 23 Ca 0.71 -0.68 -0.28 0.00 -1.36 0.00 0.00 55.97 54.36 2rov s LYS 23 Cb -0.18 -2.55 -0.01 0.00 -1.68 0.00 0.00 37.83 33.41 2rov s LYS 23 CO 0.33 0.62 1.69 -0.47 -0.76 0.00 0.00 175.35 176.76 2rov s TYR 24 N -0.98 1.93 -0.13 3.18 6.14 -0.84 -1.63 117.35 125.02 2rov s TYR 24 Ca 0.17 0.66 -0.04 0.00 0.64 0.00 0.00 57.07 58.50 2rov s TYR 24 Cb -0.11 -4.19 -0.03 0.00 0.42 0.00 0.00 41.96 38.05 2rov s TYR 24 CO 0.07 -2.45 -0.01 0.08 0.64 0.00 0.00 175.55 173.88 2rov s VAL 25 N 7.18 4.17 -0.11 3.14 1.01 -0.02 -0.93 120.40 134.84 2rov s VAL 25 Ca 0.69 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 2rov s VAL 25 Cb -0.16 -2.81 0.05 0.00 0.00 0.00 0.00 36.38 33.46 2rov s VAL 25 CO 0.28 0.53 0.07 -0.63 0.00 0.00 0.00 175.10 175.35 2rov s ILE 26 N -0.09 -0.01 -0.58 2.22 1.01 -0.86 -1.13 121.20 121.75 2rov s ILE 26 Ca 0.03 0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.51 2rov s ILE 26 Cb -0.13 -0.44 0.05 0.00 0.01 0.00 0.00 42.46 41.95 2rov s ILE 26 CO 0.02 -0.05 0.95 -0.69 0.00 0.00 0.00 174.94 175.18 2rov s VAL 27 N 2.12 4.36 0.63 2.92 1.01 0.21 -0.74 120.40 130.90 2rov s VAL 27 Ca 0.03 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 2rov s VAL 27 Cb -0.14 -4.58 0.01 0.00 0.00 0.00 0.00 36.38 31.67 2rov s VAL 27 CO -0.06 -1.21 0.97 -0.55 0.00 0.00 0.00 175.10 174.26 2rov s SER 28 N 3.04 5.59 -0.28 3.32 0.15 0.41 -4.02 113.70 121.91 2rov s SER 28 Ca 0.29 0.91 -0.32 0.00 0.70 0.00 0.00 55.95 57.52 2rov s SER 28 Cb -0.13 -1.84 -0.09 0.00 -1.71 0.00 0.00 66.02 62.25 2rov s SER 28 CO 0.17 -1.14 2.19 -0.24 1.20 0.00 0.00 173.24 175.42 2rov n SER 29 N -2.73 2.65 -2.69 5.45 2.88 -1.26 -0.88 113.62 117.04 2rov n SER 29 Ca 0.05 0.35 -0.20 0.00 -1.33 0.00 0.00 58.87 57.74 2rov n SER 29 Cb 0.57 -1.39 0.03 0.00 -0.75 0.00 0.00 64.21 62.67 2rov n SER 29 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2rov n LYS 30 N 8.37 -4.20 -3.62 -1.46 4.76 -1.26 -4.97 118.16 115.77 2rov n LYS 30 Ca 0.36 0.84 -0.07 0.00 -2.87 0.00 0.00 58.31 56.57 2rov n LYS 30 Cb 0.32 -5.51 -0.06 0.00 -1.84 0.00 0.00 35.03 27.95 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 -5.53 0.36 -0.15 1.97 2.47 -0.06 -4.33 119.74 114.47 2rov s LYS 31 Ca 0.25 0.24 -0.00 0.00 -1.56 0.00 0.00 55.97 54.90 2rov s LYS 31 Cb -0.11 0.17 -0.01 0.00 -1.46 0.00 0.00 37.83 36.42 2rov s LYS 31 CO 0.31 -0.08 -0.14 0.42 0.16 0.00 0.00 175.35 176.02 2rov s ILE 32 N -0.45 2.85 0.12 5.43 1.01 0.12 0.15 121.20 130.43 2rov s ILE 32 Ca 0.04 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 60.04 2rov s ILE 32 Cb -0.03 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 2rov s ILE 32 CO -0.06 0.51 -0.04 -0.76 0.00 0.00 0.00 174.94 174.59 2rov s LEU 33 N 0.66 3.25 -0.05 2.97 1.43 0.08 -0.22 118.68 126.81 2rov s LEU 33 Ca -0.07 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2rov s LEU 33 Cb -0.16 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.11 2rov s LEU 33 CO 0.02 0.15 0.00 0.12 0.23 0.00 0.00 176.35 176.87 2rov s PHE 34 N -1.41 0.46 0.22 0.29 2.19 0.35 -2.03 117.98 118.05 2rov s PHE 34 Ca 0.25 -0.05 0.02 0.00 0.33 0.00 0.00 56.93 57.48 2rov s PHE 34 Cb -0.11 -0.59 -0.05 0.00 -1.31 0.00 0.00 43.02 40.97 2rov s PHE 34 CO 0.17 -0.21 0.03 0.71 1.83 0.00 0.00 175.22 177.74 2rov s TYR 35 N 1.47 1.44 -0.09 10.12 1.51 -0.11 0.82 117.35 132.51 2rov s TYR 35 Ca -0.03 -1.03 0.17 0.00 -1.01 0.00 0.00 57.07 55.17 2rov s TYR 35 Cb -0.13 -0.84 -0.25 0.00 -0.11 0.00 0.00 41.96 40.63 2rov s TYR 35 CO -0.03 -0.18 0.24 -3.47 -1.11 0.00 0.00 175.55 171.01 2rov n ASP 36 N -0.38 0.79 -3.25 2.29 -0.08 -1.26 -1.98 116.55 112.68 2rov n ASP 36 Ca -0.04 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.19 2rov n ASP 36 Cb 0.64 1.41 0.02 0.00 2.34 0.00 0.00 41.12 45.53 2rov n ASP 36 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2rov s SER 37 N -4.58 0.01 0.15 1.67 0.01 -1.26 -4.56 113.70 105.14 2rov s SER 37 Ca -0.08 -0.79 0.04 0.00 1.31 0.00 0.00 55.95 56.43 2rov s SER 37 Cb 0.09 0.58 -0.05 0.00 0.21 0.00 0.00 66.02 66.85 2rov s SER 37 CO 0.74 -1.16 1.35 -0.08 0.41 0.00 0.00 173.24 174.49 2rov h GLU 38 N 2.00 0.12 -0.72 12.44 4.57 -1.99 -2.59 114.58 128.41 2rov h GLU 38 Ca -0.29 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 57.74 2rov h GLU 38 Cb 1.23 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.83 2rov h GLU 38 CO 0.37 0.95 0.42 -0.56 -1.18 0.00 0.00 179.01 179.02 2rov h GLN 39 N 0.06 0.99 0.02 1.92 3.07 -2.00 -1.76 115.11 117.41 2rov h GLN 39 Ca -0.04 -0.10 -0.21 0.00 0.09 0.00 0.00 58.65 58.39 2rov h GLN 39 Cb 1.59 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 28.93 2rov h GLN 39 CO 0.13 0.71 -0.95 -0.44 0.09 0.00 0.00 178.83 178.37 2rov h ASP 40 N 0.99 0.23 -0.17 0.06 3.32 -1.96 -3.23 116.42 115.66 2rov h ASP 40 Ca 0.26 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2rov h ASP 40 Cb -0.01 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2rov h ASP 40 CO -0.05 1.05 0.10 0.50 -1.72 0.00 0.00 179.24 179.13 2rov h LYS 41 N 0.08 0.23 0.00 3.56 3.11 -1.11 -1.90 116.57 120.55 2rov h LYS 41 Ca -0.05 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.76 2rov h LYS 41 Cb 1.62 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.80 2rov h LYS 41 CO 0.14 0.19 -0.04 0.93 -2.81 0.00 0.00 179.45 177.86 2rov h GLU 42 N 0.20 0.00 0.00 1.90 4.39 -1.41 -0.61 114.58 119.06 2rov h GLU 42 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2rov h GLU 42 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2rov h GLU 42 CO -0.01 0.04 0.00 1.04 -1.16 0.00 0.00 179.01 178.92 2rov n GLN 43 N -3.54 0.43 -3.40 2.33 1.13 -0.72 -4.89 117.38 108.72 2rov n GLN 43 Ca -0.02 0.04 -0.20 0.00 -1.94 0.00 0.00 57.00 54.88 2rov n GLN 43 Cb 0.15 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.07 2rov n GLN 43 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2rov n SER 44 N -1.25 -5.30 -3.36 1.08 2.88 -0.24 -4.97 113.62 102.46 2rov n SER 44 Ca 0.13 -0.46 -0.26 0.00 -1.33 0.00 0.00 58.87 56.95 2rov n SER 44 Cb 0.19 -4.34 -0.08 0.00 -0.75 0.00 0.00 64.21 59.23 2rov n SER 44 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2rov n ASN 45 N -2.37 2.30 -4.68 -3.46 2.85 -1.21 -5.09 115.26 103.61 2rov n ASN 45 Ca -0.02 -3.13 -0.48 0.00 -0.11 0.00 0.00 54.58 50.84 2rov n ASN 45 Cb 0.56 -0.66 -0.05 0.00 1.24 0.00 0.00 39.78 40.87 2rov n ASN 45 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2rov n PRO 46 N 1.17 2.10 0.11 1.20 -0.02 -1.26 -4.82 135.00 133.48 2rov n PRO 46 Ca 0.26 0.77 0.09 0.00 -2.02 0.00 0.00 63.50 62.60 2rov n PRO 46 Cb 0.45 -2.58 0.58 0.00 -0.02 0.00 0.00 33.50 31.93 2rov n PRO 46 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2rov h TYR 47 N 7.96 0.19 -1.75 6.00 3.20 0.05 -3.43 116.97 129.18 2rov h TYR 47 Ca -0.47 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.42 2rov h TYR 47 Cb 1.27 -0.06 -0.24 0.00 1.54 0.00 0.00 36.73 39.24 2rov h TYR 47 CO 0.79 0.11 0.33 1.41 -1.64 0.00 0.00 178.16 179.15 2rov s MET 48 N -5.21 0.63 -0.05 1.82 1.75 -0.81 -4.99 119.30 112.43 2rov s MET 48 Ca -0.06 0.75 0.00 0.00 -1.25 0.00 0.00 55.69 55.13 2rov s MET 48 Cb 0.18 0.31 0.02 0.00 2.84 0.00 0.00 34.83 38.18 2rov s MET 48 CO 0.70 -0.08 -0.02 0.54 -0.65 0.00 0.00 175.02 175.52 2rov s VAL 49 N 0.30 0.42 0.20 10.11 0.11 -1.26 0.13 120.40 130.41 2rov s VAL 49 Ca 0.02 -0.01 0.09 0.00 -2.93 0.00 0.00 61.98 59.15 2rov s VAL 49 Cb -0.05 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 2rov s VAL 49 CO -0.04 0.22 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.14 2rov s LEU 50 N 1.26 3.10 -0.28 2.54 1.02 0.70 -4.96 118.68 122.06 2rov s LEU 50 Ca -0.06 -0.56 -0.13 0.00 0.02 0.00 0.00 54.13 53.41 2rov s LEU 50 Cb -0.14 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 2rov s LEU 50 CO -0.02 0.07 0.26 -1.81 0.02 0.00 0.00 176.35 174.88 2rov s ASP 51 N -3.07 6.11 0.29 2.29 1.11 -1.26 0.12 116.67 122.26 2rov s ASP 51 Ca 0.27 0.05 0.01 0.00 0.18 0.00 0.00 52.55 53.06 2rov s ASP 51 Cb -0.08 -2.15 0.54 0.00 1.07 0.00 0.00 42.92 42.29 2rov s ASP 51 CO 0.17 -0.12 1.87 0.40 1.18 0.00 0.00 175.17 178.67 2rov h ILE 52 N 5.39 0.99 0.00 0.77 2.04 -1.88 0.48 117.51 125.30 2rov h ILE 52 Ca -0.33 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 2rov h ILE 52 Cb 1.18 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2rov h ILE 52 CO 0.59 0.19 -0.20 -0.78 0.00 0.00 0.00 178.15 177.95 2rov h ASP 53 N 1.02 0.00 1.33 1.72 3.58 -1.91 -2.05 116.42 120.12 2rov h ASP 53 Ca 0.45 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.86 2rov h ASP 53 Cb 0.36 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2rov h ASP 53 CO -0.21 0.20 -0.21 0.11 -2.88 0.00 0.00 179.24 176.26 2rov h LYS 54 N 0.00 0.00 -6.58 0.28 1.57 -1.29 -3.46 116.57 107.09 2rov h LYS 54 Ca -0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2rov h LYS 54 Cb 0.44 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.85 2rov h LYS 54 CO 0.03 0.21 0.30 1.28 -0.57 0.00 0.00 179.45 180.69 2rov n LEU 55 N -3.24 2.52 -0.08 2.94 4.77 -0.77 -2.59 117.00 120.55 2rov n LEU 55 Ca 0.02 1.19 -0.09 0.00 -0.03 0.00 0.00 56.01 57.09 2rov n LEU 55 Cb 0.51 -1.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.12 2rov n LEU 55 CO 0.34 -1.00 -1.03 0.49 -1.33 0.00 0.00 177.39 174.86 2rov n PHE 56 N 0.39 0.00 0.00 -1.77 3.72 0.85 -4.91 117.46 115.74 2rov n PHE 56 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 2rov n PHE 56 Cb 0.33 -0.74 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 2rov n PHE 56 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2rov n HIS 57 N -2.72 0.00 -4.06 1.38 8.25 -1.23 -5.02 115.22 111.83 2rov n HIS 57 Ca -0.27 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 56.91 2rov n HIS 57 Cb 0.95 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.89 2rov n HIS 57 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2rov s VAL 58 N 0.00 1.20 0.18 1.59 0.11 -1.26 -1.57 120.40 120.64 2rov s VAL 58 Ca 0.00 -0.41 -0.19 0.00 -2.93 0.00 0.00 61.98 58.45 2rov s VAL 58 Cb 0.00 -1.16 0.04 0.00 -1.53 0.00 0.00 36.38 33.73 2rov s VAL 58 CO 0.00 0.39 0.53 -0.13 -3.33 0.00 0.00 175.10 172.56 2rov s ARG 59 N 1.48 1.33 0.57 1.54 0.52 -0.71 -4.96 118.95 118.71 2rov s ARG 59 Ca 0.02 -0.75 -0.20 0.00 -0.52 0.00 0.00 55.73 54.28 2rov s ARG 59 Cb -0.13 0.53 -0.05 0.00 0.52 0.00 0.00 34.95 35.82 2rov s ARG 59 CO -0.07 -0.56 1.13 -0.35 0.02 0.00 0.00 175.30 175.47 2rov n PRO 60 N -0.34 1.23 -2.94 3.54 -0.04 -1.26 -1.34 135.00 133.86 2rov n PRO 60 Ca -0.12 0.46 -0.22 0.00 -0.04 0.00 0.00 63.50 63.58 2rov n PRO 60 Cb 0.63 -2.32 0.02 0.00 -0.04 0.00 0.00 33.50 31.79 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 -1.40 3.62 0.20 0.52 -7.23 0.33 -4.75 120.40 111.70 2rov s VAL 61 Ca 0.74 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 60.31 2rov s VAL 61 Cb -0.43 -3.33 0.01 0.00 0.56 0.00 0.00 36.38 33.18 2rov s VAL 61 CO 0.48 -0.22 0.05 0.35 -0.31 0.00 0.00 175.10 175.45 2rov n THR 62 N -2.10 0.00 0.31 5.32 -2.24 -1.26 -4.50 114.28 109.80 2rov n THR 62 Ca 0.03 -0.91 0.11 0.00 -2.27 0.00 0.00 64.05 61.01 2rov n THR 62 Cb 0.58 0.03 0.51 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.65 0.17 0.10 -0.78 -0.06 -1.26 -1.84 117.38 113.05 2rov n GLN 63 Ca -0.06 0.50 -0.01 0.00 -2.00 0.00 0.00 57.00 55.42 2rov n GLN 63 Cb 0.25 -1.89 -0.04 0.00 -4.06 0.00 0.00 30.24 24.50 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 1.13 0.00 1.69 1.35 -2.02 -3.25 112.91 111.81 2rov h THR 64 Ca 0.00 -2.64 -0.07 0.00 -0.55 0.00 0.00 66.41 63.14 2rov h THR 64 Cb 0.23 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 2rov h THR 64 CO 0.00 0.65 -0.35 -0.78 -0.25 0.00 0.00 175.52 174.79 2rov h ASP 65 N 0.00 0.00 -4.85 5.36 3.58 -1.75 -3.46 116.42 115.30 2rov h ASP 65 Ca -0.03 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.91 2rov h ASP 65 Cb 1.56 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.49 2rov h ASP 65 CO 0.09 0.35 -0.46 1.33 -2.88 0.00 0.00 179.24 177.66 2rov n VAL 66 N -3.63 0.00 0.00 2.25 0.24 -1.23 -5.04 118.33 110.92 2rov n VAL 66 Ca -0.01 -2.39 0.00 0.00 -2.04 0.00 0.00 64.34 59.90 2rov n VAL 66 Cb 0.46 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 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 -0.78 -0.57 0.18 6.34 4.11 -1.26 -4.82 117.16 120.36 2rov n TYR 67 Ca 0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.96 2rov n TYR 67 Cb 0.60 0.36 0.28 0.00 -0.00 0.00 0.00 39.34 40.58 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 -1.98 -3.45 114.38 105.47 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 0.40 0.00 0.00 -0.00 0.00 0.00 179.97 180.37 2rov n ALA 69 N -2.28 0.00 -2.52 0.08 0.00 -1.26 -5.04 120.51 109.49 2rov n ALA 69 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2rov n ALA 69 Cb 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.90 2.12 0.57 0.00 -1.08 -1.26 -5.01 116.67 110.10 2rov s ASP 70 Ca 0.00 -0.42 0.32 0.00 -0.52 0.00 0.00 52.55 51.93 2rov s ASP 70 Cb 0.00 -0.19 1.44 0.00 -1.46 0.00 0.00 42.92 42.70 2rov s ASP 70 CO 0.00 0.16 1.79 0.00 0.52 0.00 0.00 175.17 177.63 2rov h ALA 71 N 5.24 2.69 0.00 3.66 0.00 -1.97 0.77 119.26 129.66 2rov h ALA 71 Ca -0.39 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 2rov h ALA 71 Cb 1.16 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2rov h ALA 71 CO 0.46 -1.16 -0.94 0.87 0.00 0.00 0.00 179.25 178.47 2rov h LYS 72 N 0.00 0.01 0.06 0.00 1.57 -2.03 -3.28 116.57 112.89 2rov h LYS 72 Ca 0.40 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.93 2rov h LYS 72 Cb 1.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 2rov h LYS 72 CO -0.00 0.94 -1.09 0.93 -0.57 0.00 0.00 179.45 179.66 2rov h GLU 73 N 0.00 0.14 -0.54 3.15 4.39 0.09 -3.35 114.58 118.45 2rov h GLU 73 Ca -0.01 -0.22 0.10 0.00 0.34 0.00 0.00 59.36 59.57 2rov h GLU 73 Cb 1.67 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 30.29 2rov h GLU 73 CO 0.12 1.09 -0.28 0.82 -1.16 0.00 0.00 179.01 179.60 2rov h ILE 74 N 0.04 0.25 0.00 3.13 1.08 -1.21 0.36 117.51 121.16 2rov h ILE 74 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 2rov h ILE 74 Cb 1.83 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2rov h ILE 74 CO 0.16 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.81 2rov n PRO 75 N -5.43 0.16 -0.29 2.37 -0.04 -1.26 -1.66 135.00 128.86 2rov n PRO 75 Ca 0.04 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 64.10 2rov n PRO 75 Cb 0.34 -1.87 0.26 0.00 -0.04 0.00 0.00 33.50 32.19 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 -2.18 2.65 -4.75 0.54 1.74 0.12 -4.79 116.66 109.99 2rov n ARG 76 Ca 0.01 -2.42 -0.33 0.00 -0.77 0.00 0.00 57.85 54.34 2rov n ARG 76 Cb 0.15 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.09 2.18 0.02 0.55 1.01 -0.66 0.76 121.20 123.97 2rov s ILE 77 Ca 0.41 -0.95 0.09 0.00 0.00 0.00 0.00 60.65 60.20 2rov s ILE 77 Cb 0.22 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 2rov s ILE 77 CO 0.29 0.55 -0.26 0.72 0.00 0.00 0.00 174.94 176.23 2rov s PHE 78 N 0.72 2.31 -0.09 3.97 -0.71 -0.91 -0.51 117.98 122.76 2rov s PHE 78 Ca -0.09 -0.42 -0.01 0.00 -1.04 0.00 0.00 56.93 55.37 2rov s PHE 78 Cb -0.16 -1.42 -0.03 0.00 -1.21 0.00 0.00 43.02 40.20 2rov s PHE 78 CO 0.01 0.07 -0.04 -1.14 -1.34 0.00 0.00 175.22 172.77 2rov s GLN 79 N -1.03 2.98 -0.22 1.99 0.74 -0.45 -1.97 119.66 121.71 2rov s GLN 79 Ca 0.11 -0.50 0.02 0.00 0.05 0.00 0.00 55.36 55.03 2rov s GLN 79 Cb -0.10 -2.70 0.04 0.00 1.10 0.00 0.00 33.01 31.35 2rov s GLN 79 CO 0.01 0.60 -0.13 0.42 -0.55 0.00 0.00 175.29 175.64 2rov s ILE 80 N -0.62 1.94 -0.04 -2.34 1.09 -0.40 -1.74 121.20 119.09 2rov s ILE 80 Ca 0.10 -1.23 -0.20 0.00 -1.10 0.00 0.00 60.65 58.22 2rov s ILE 80 Cb -0.12 -1.96 -0.05 0.00 -1.06 0.00 0.00 42.46 39.27 2rov s ILE 80 CO 0.02 0.19 0.59 -0.22 -0.10 0.00 0.00 174.94 175.42 2rov s LEU 81 N 1.26 4.37 -0.01 2.97 2.96 -0.61 -0.02 118.68 129.61 2rov s LEU 81 Ca -0.03 1.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.97 2rov s LEU 81 Cb -0.17 -2.90 -0.00 0.00 0.50 0.00 0.00 46.19 43.62 2rov s LEU 81 CO -0.08 0.04 0.03 -0.72 -1.32 0.00 0.00 176.35 174.30 2rov s TYR 82 N 0.15 0.03 -0.14 5.38 1.13 0.05 -0.11 117.35 123.83 2rov s TYR 82 Ca 0.31 -0.05 -0.29 0.00 -1.41 0.00 0.00 57.07 55.63 2rov s TYR 82 Cb -0.17 -0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.63 2rov s TYR 82 CO 0.16 -0.07 1.41 0.00 -2.51 0.00 0.00 175.55 174.54 2rov s ALA 83 N -0.37 3.61 -0.21 9.51 0.00 -1.07 -1.95 121.76 131.28 2rov s ALA 83 Ca -0.04 0.59 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 2rov s ALA 83 Cb -0.03 -3.68 -0.19 0.00 0.00 0.00 0.00 23.12 19.22 2rov s ALA 83 CO -0.00 -1.32 0.04 0.27 0.00 0.00 0.00 175.76 174.74 2rov n ASN 84 N 6.94 1.98 0.00 0.00 0.23 -1.26 -4.83 115.26 118.33 2rov n ASN 84 Ca 0.15 0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.43 2rov n ASN 84 Cb 0.44 -0.79 0.00 0.00 -2.08 0.00 0.00 39.78 37.35 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 -3.88 0.00 0.00 -3.83 -0.58 -1.26 -5.06 120.64 106.03 2rov n GLU 85 Ca -0.40 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 2rov n GLU 85 Cb 0.90 -0.83 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 2rov n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rov n GLY 86 N 3.05 1.48 1.80 0.62 0.00 -1.26 -5.08 105.19 105.80 2rov n GLY 86 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.08 -0.01 -0.61 -0.00 -1.26 -4.72 119.36 112.83 2rov n ILE 87 Ca 0.00 0.03 0.09 0.00 -0.00 0.00 0.00 62.75 62.87 2rov n ILE 87 Cb 0.00 -0.36 0.50 0.00 -0.00 0.00 0.00 39.64 39.78 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 0.34 1.55 4.38 0.87 -2.00 0.45 113.55 119.15 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 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2rov h SER 88 CO 0.00 0.23 0.00 0.28 -0.53 0.00 0.00 176.83 176.81 2rov h SER 89 N 0.39 0.00 -0.82 6.23 0.02 -1.97 -3.46 113.55 113.95 2rov h SER 89 Ca 0.20 0.00 -0.83 0.00 -0.84 0.00 0.00 61.79 60.32 2rov h SER 89 Cb 0.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 2rov h SER 89 CO -0.05 0.00 0.90 0.00 -1.14 0.00 0.00 176.83 176.54 2rov n ALA 90 N -2.09 -0.74 -1.94 3.77 0.00 0.15 -4.70 120.51 114.96 2rov n ALA 90 Ca 0.02 0.39 -0.18 0.00 0.00 0.00 0.00 53.44 53.68 2rov n ALA 90 Cb 0.43 -2.02 0.15 0.00 0.00 0.00 0.00 19.45 18.01 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 5.19 -0.76 -4.27 0.00 4.76 -0.82 -4.72 118.16 117.53 2rov n LYS 91 Ca 0.37 -1.79 -0.15 0.00 -2.87 0.00 0.00 58.31 53.88 2rov n LYS 91 Cb -0.02 -0.95 -0.10 0.00 -1.84 0.00 0.00 35.03 32.12 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 -4.73 1.54 -0.17 4.39 6.03 -1.26 -0.77 114.94 119.96 2rov s ASN 92 Ca 0.58 -1.16 0.00 0.00 -1.03 0.00 0.00 52.86 51.26 2rov s ASN 92 Cb -0.02 0.06 0.03 0.00 -3.03 0.00 0.00 41.25 38.29 2rov s ASN 92 CO 0.40 -0.50 -0.12 -0.22 -2.03 0.00 0.00 177.10 174.63 2rov s LEU 93 N -3.22 1.92 -0.24 3.54 0.20 0.97 -4.89 118.68 116.97 2rov s LEU 93 Ca 0.24 -0.66 -0.16 0.00 0.69 0.00 0.00 54.13 54.24 2rov s LEU 93 Cb 0.05 -1.18 -0.04 0.00 -0.43 0.00 0.00 46.19 44.59 2rov s LEU 93 CO 0.05 -0.10 0.42 -0.76 -0.29 0.00 0.00 176.35 175.67 2rov s LEU 94 N 1.46 4.09 -0.14 -0.68 2.01 -1.26 -1.28 118.68 122.89 2rov s LEU 94 Ca 0.02 0.45 -0.01 0.00 0.01 0.00 0.00 54.13 54.61 2rov s LEU 94 Cb -0.14 -2.52 0.03 0.00 0.01 0.00 0.00 46.19 43.57 2rov s LEU 94 CO -0.10 -0.16 -0.06 -0.76 1.01 0.00 0.00 176.35 176.29 2rov s LEU 95 N 1.78 1.35 -0.11 1.79 1.43 -0.83 -4.40 118.68 119.70 2rov s LEU 95 Ca 0.18 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.62 2rov s LEU 95 Cb -0.15 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 2rov s LEU 95 CO 0.09 -0.16 0.54 -0.22 0.23 0.00 0.00 176.35 176.83 2rov s LEU 96 N 1.69 4.28 -0.12 1.79 2.96 0.20 -2.13 118.68 127.34 2rov s LEU 96 Ca 0.03 0.91 -0.06 0.00 -0.22 0.00 0.00 54.13 54.79 2rov s LEU 96 Cb -0.14 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 2rov s LEU 96 CO -0.08 -0.03 0.09 0.00 -1.32 0.00 0.00 176.35 175.01 2rov s ALA 97 N 0.69 3.64 0.59 5.97 0.00 0.23 -0.69 121.76 132.19 2rov s ALA 97 Ca 0.29 -0.70 0.29 0.00 0.00 0.00 0.00 51.96 51.83 2rov s ALA 97 Cb -0.16 -1.83 1.66 0.00 0.00 0.00 0.00 23.12 22.79 2rov s ALA 97 CO 0.12 0.54 2.11 -2.95 0.00 0.00 0.00 175.76 175.58 2rov h ASN 98 N 5.31 0.00 -4.56 0.00 7.08 -1.87 -3.42 115.58 118.12 2rov h ASN 98 Ca -0.51 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 52.48 2rov h ASN 98 Cb 1.21 0.00 -0.23 0.00 -2.08 0.00 0.00 38.32 37.22 2rov h ASN 98 CO 0.59 0.00 -0.72 -0.44 -2.08 0.00 0.00 177.43 174.78 2rov s SER 99 N -5.83 0.40 0.20 6.14 0.01 -1.26 -5.05 113.70 108.32 2rov s SER 99 Ca -0.05 -0.37 -0.10 0.00 1.31 0.00 0.00 55.95 56.74 2rov s SER 99 Cb 0.15 0.04 0.24 0.00 0.21 0.00 0.00 66.02 66.67 2rov s SER 99 CO 0.55 -0.18 1.78 0.74 0.41 0.00 0.00 173.24 176.54 2rov h THR 100 N 4.75 0.89 -0.99 1.44 2.02 -1.87 -1.61 112.91 117.53 2rov h THR 100 Ca -0.31 -0.18 0.15 0.00 0.77 0.00 0.00 66.41 66.84 2rov h THR 100 Cb 1.21 0.30 -0.09 0.00 -1.74 0.00 0.00 68.15 67.83 2rov h THR 100 CO 0.44 0.10 0.62 -0.33 0.37 0.00 0.00 175.52 176.71 2rov h GLU 101 N 0.54 0.83 -0.76 6.66 5.08 -1.96 -0.56 114.58 124.39 2rov h GLU 101 Ca 0.29 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2rov h GLU 101 Cb 0.26 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2rov h GLU 101 CO -0.23 0.55 0.49 1.49 -1.00 0.00 0.00 179.01 180.32 2rov h GLU 102 N 0.85 0.96 -0.40 2.33 4.57 -1.69 -1.39 114.58 119.81 2rov h GLU 102 Ca 0.53 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.61 2rov h GLU 102 Cb 0.71 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 2rov h GLU 102 CO -0.30 0.63 0.08 0.37 -1.18 0.00 0.00 179.01 178.62 2rov h GLN 103 N 0.99 0.60 -0.36 1.92 -0.00 -1.02 0.21 115.11 117.44 2rov h GLN 103 Ca 0.29 -0.11 -0.16 0.00 -0.00 0.00 0.00 58.65 58.68 2rov h GLN 103 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.33 2rov h GLN 103 CO -0.09 0.56 -0.38 1.96 0.00 0.00 0.00 178.83 180.87 2rov h GLN 104 N 0.58 0.90 -0.01 1.69 1.08 -0.91 -2.11 115.11 116.33 2rov h GLN 104 Ca 0.13 -0.49 -0.01 0.00 -1.45 0.00 0.00 58.65 56.84 2rov h GLN 104 Cb 0.24 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2rov h GLN 104 CO -0.00 1.13 -0.04 -0.22 -0.95 0.00 0.00 178.83 178.75 2rov h LYS 105 N 0.71 0.04 -0.12 1.46 3.64 -0.91 -1.23 116.57 120.15 2rov h LYS 105 Ca 0.05 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2rov h LYS 105 Cb 0.98 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 2rov h LYS 105 CO 0.09 0.70 -0.11 -1.49 -2.27 0.00 0.00 179.45 176.38 2rov h TRP 106 N -0.61 -0.28 -0.08 1.91 4.06 -0.65 0.37 115.95 120.67 2rov h TRP 106 Ca -0.00 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 2rov h TRP 106 Cb 0.71 0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 29.01 2rov h TRP 106 CO 0.16 -0.17 -0.01 0.28 -3.56 0.00 0.00 178.44 175.14 2rov h VAL 107 N -0.13 1.26 -0.69 1.49 2.07 -1.48 0.77 116.25 119.53 2rov h VAL 107 Ca 0.08 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2rov h VAL 107 Cb 0.25 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 2rov h VAL 107 CO -0.20 0.23 0.41 -1.28 0.02 0.00 0.00 177.57 176.75 2rov h SER 108 N -0.15 0.82 0.10 0.57 0.87 -1.06 0.26 113.55 114.97 2rov h SER 108 Ca 0.02 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2rov h SER 108 Cb 0.37 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2rov h SER 108 CO 0.01 0.64 -0.05 0.03 -0.53 0.00 0.00 176.83 176.93 2rov h ARG 109 N 0.95 -0.13 -0.85 2.24 2.47 -0.20 -1.81 114.38 117.05 2rov h ARG 109 Ca 0.25 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.98 2rov h ARG 109 Cb -0.03 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 2rov h ARG 109 CO -0.05 0.35 0.55 1.37 0.56 0.00 0.00 179.97 182.76 2rov h LEU 110 N -0.90 0.98 -0.31 3.04 8.10 -0.79 -1.69 115.31 123.75 2rov h LEU 110 Ca -0.01 -0.03 -0.16 0.00 0.11 0.00 0.00 57.88 57.78 2rov h LEU 110 Cb 0.55 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 40.52 2rov h LEU 110 CO 0.02 0.72 -0.43 1.62 -4.11 0.00 0.00 178.44 176.26 2rov h VAL 111 N 1.15 1.28 -0.05 0.15 3.04 -0.59 -2.90 116.25 118.35 2rov h VAL 111 Ca 0.31 -1.62 -0.01 0.00 -1.01 0.00 0.00 66.70 64.37 2rov h VAL 111 Cb -0.11 1.58 -0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2rov h VAL 111 CO -0.06 0.53 -0.01 0.11 -1.01 0.00 0.00 177.57 177.12 2rov h LYS 112 N 0.61 0.07 0.00 4.17 1.57 -0.87 -0.24 116.57 121.87 2rov h LYS 112 Ca 0.03 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2rov h LYS 112 Cb 1.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2rov h LYS 112 CO 0.10 0.09 -0.26 0.87 -0.57 0.00 0.00 179.45 179.68 2rov h LYS 113 N 0.07 0.00 -6.76 3.15 1.79 -1.11 -3.45 116.57 110.26 2rov h LYS 113 Ca 0.02 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.93 2rov h LYS 113 Cb 0.07 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 30.82 2rov h LYS 113 CO 0.00 0.26 0.69 -0.89 -1.08 0.00 0.00 179.45 178.44 2rov n ILE 114 N -3.59 1.48 -0.08 1.86 5.41 -0.10 -4.76 119.36 119.57 2rov n ILE 114 Ca -0.01 -0.37 -0.12 0.00 1.00 0.00 0.00 62.75 63.25 2rov n ILE 114 Cb 0.40 -1.74 -0.05 0.00 -0.71 0.00 0.00 39.64 37.54 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 3.66 0.47 -1.90 0.38 0.13 -1.86 -3.23 132.00 129.65 2rov h PRO 115 Ca -0.47 -0.19 -0.75 0.00 -0.87 0.00 0.00 66.00 63.73 2rov h PRO 115 Cb 1.26 -0.02 -0.29 0.00 0.13 0.00 0.00 31.00 32.07 2rov h PRO 115 CO 0.71 0.71 0.85 0.36 -0.23 0.00 0.00 178.00 180.40 2rov n LYS 116 N -4.55 2.83 0.00 0.86 2.85 -1.26 -5.18 118.16 113.71 2rov n LYS 116 Ca -0.04 -3.62 0.00 0.00 -1.05 0.00 0.00 58.31 53.60 2rov n LYS 116 Cb 0.31 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.42 2rov n LYS 116 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52