#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pko h GLN 2 N 0.00 0.36 -2.74 1.61 4.20 -2.01 -3.47 115.11 113.06 1pko h GLN 2 Ca 0.00 -0.17 0.07 0.00 0.06 0.00 0.00 58.65 58.61 1pko h GLN 2 Cb 0.00 -0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.68 1pko h GLN 2 CO 0.00 0.70 0.32 -0.59 -0.67 0.00 0.00 178.83 178.59 1pko s PHE 3 N -4.48 -0.32 0.30 2.96 -0.12 -1.26 -4.62 117.98 110.44 1pko s PHE 3 Ca -0.14 0.04 0.10 0.00 -0.05 0.00 0.00 56.93 56.87 1pko s PHE 3 Cb 0.06 0.61 -0.05 0.00 -0.63 0.00 0.00 43.02 43.01 1pko s PHE 3 CO 0.75 -0.90 -0.04 -0.98 -0.05 0.00 0.00 175.22 174.00 1pko s ARG 4 N -3.59 2.06 -0.09 1.99 1.70 0.39 -4.83 118.95 116.58 1pko s ARG 4 Ca 0.07 -1.65 0.03 0.00 -0.47 0.00 0.00 55.73 53.71 1pko s ARG 4 Cb -0.03 -1.97 -0.01 0.00 -0.57 0.00 0.00 34.95 32.37 1pko s ARG 4 CO -0.04 0.25 -0.18 0.08 -1.08 0.00 0.00 175.30 174.34 1pko s VAL 5 N -2.46 2.65 -0.03 4.99 1.01 -1.26 -0.51 120.40 124.80 1pko s VAL 5 Ca 0.33 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1pko s VAL 5 Cb -0.03 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 1pko s VAL 5 CO 0.19 0.56 -0.13 -0.63 0.00 0.00 0.00 175.10 175.08 1pko s ILE 6 N -0.02 1.08 0.00 2.22 1.01 0.30 -4.37 121.20 121.42 1pko s ILE 6 Ca -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1pko s ILE 6 Cb -0.15 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.39 1pko s ILE 6 CO 0.05 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1pko n GLY 7 N 3.11 1.29 0.24 6.18 0.00 -1.26 -1.18 105.19 113.59 1pko n GLY 7 Ca -0.17 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.02 1pko n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pko h PRO 8 N 0.00 0.00 0.00 1.61 0.13 -1.88 -3.47 132.00 128.39 1pko h PRO 8 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pko h PRO 8 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1pko h PRO 8 CO 0.00 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.25 1pko n GLY 9 N 0.45 1.80 3.16 1.56 0.00 -1.26 -4.99 105.19 105.91 1pko n GLY 9 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1pko n GLY 9 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1pko s HIS 10 N -2.58 0.23 0.49 1.61 -3.43 -1.26 -5.12 115.29 105.23 1pko s HIS 10 Ca 0.00 -0.64 -0.23 0.00 -0.80 0.00 0.00 55.06 53.39 1pko s HIS 10 Cb 0.00 -0.14 -0.06 0.00 -1.43 0.00 0.00 32.58 30.94 1pko s HIS 10 CO 0.00 -0.46 1.29 -2.14 -2.00 0.00 0.00 174.74 171.43 1pko s PRO 11 N -3.52 3.49 -0.03 -0.38 0.02 -1.26 -4.71 135.00 128.61 1pko s PRO 11 Ca 0.03 2.09 -0.17 0.00 0.02 0.00 0.00 61.00 62.96 1pko s PRO 11 Cb 0.04 -2.40 -0.05 0.00 0.02 0.00 0.00 34.50 32.11 1pko s PRO 11 CO -0.09 -0.86 0.46 0.42 -0.33 0.00 0.00 177.00 176.60 1pko s ILE 12 N -1.37 5.03 -0.08 2.83 -1.09 0.12 -4.94 121.20 121.70 1pko s ILE 12 Ca 0.66 0.95 0.01 0.00 -2.23 0.00 0.00 60.65 60.04 1pko s ILE 12 Cb -0.36 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.70 1pko s ILE 12 CO 0.44 0.48 -0.07 -0.13 -1.23 0.00 0.00 174.94 174.43 1pko s ARG 13 N -0.45 2.83 0.03 2.79 0.52 -1.26 -0.25 118.95 123.16 1pko s ARG 13 Ca 0.25 -0.56 -0.07 0.00 -0.52 0.00 0.00 55.73 54.83 1pko s ARG 13 Cb -0.17 -2.60 -0.00 0.00 0.52 0.00 0.00 34.95 32.70 1pko s ARG 13 CO 0.13 0.61 0.13 0.00 0.02 0.00 0.00 175.30 176.20 1pko s ALA 14 N -0.66 -0.19 0.17 2.13 0.00 -0.27 -4.94 121.76 117.99 1pko s ALA 14 Ca 0.10 -0.42 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 1pko s ALA 14 Cb -0.11 0.24 -0.06 0.00 0.00 0.00 0.00 23.12 23.20 1pko s ALA 14 CO 0.02 -0.32 0.41 -0.51 0.00 0.00 0.00 175.76 175.35 1pko s LEU 15 N -2.03 4.24 0.19 0.00 1.43 -1.26 -1.38 118.68 119.87 1pko s LEU 15 Ca -0.06 0.61 -0.33 0.00 -1.03 0.00 0.00 54.13 53.33 1pko s LEU 15 Cb -0.02 -3.35 -0.13 0.00 0.03 0.00 0.00 46.19 42.72 1pko s LEU 15 CO -0.04 0.02 1.64 0.52 0.23 0.00 0.00 176.35 178.72 1pko n VAL 16 N -0.07 0.10 0.00 -1.59 0.31 0.37 -0.84 118.33 116.62 1pko n VAL 16 Ca -0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1pko n VAL 16 Cb 0.52 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 1pko n VAL 16 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pko n GLY 17 N 3.54 3.40 3.76 2.92 0.00 0.26 -4.77 105.19 114.31 1pko n GLY 17 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1pko n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pko s ASP 18 N -0.90 2.51 0.06 1.61 1.01 -0.02 -4.30 116.67 116.64 1pko s ASP 18 Ca 0.00 0.66 0.00 0.00 0.71 0.00 0.00 52.55 53.92 1pko s ASP 18 Cb 0.00 -0.98 -0.04 0.00 1.01 0.00 0.00 42.92 42.91 1pko s ASP 18 CO 0.00 -3.14 0.19 -1.61 0.21 0.00 0.00 175.17 170.82 1pko s GLU 19 N -5.48 3.37 -0.04 8.23 2.02 -1.26 -0.99 118.70 124.55 1pko s GLU 19 Ca 0.69 -0.46 0.03 0.00 0.02 0.00 0.00 54.97 55.25 1pko s GLU 19 Cb -0.10 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 31.13 1pko s GLU 19 CO 0.54 0.61 -0.11 0.00 0.02 0.00 0.00 175.26 176.33 1pko s ALA 20 N -1.48 1.04 -0.20 5.21 0.00 -0.05 -4.92 121.76 121.36 1pko s ALA 20 Ca 0.34 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 1pko s ALA 20 Cb -0.13 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1pko s ALA 20 CO 0.26 0.15 -0.03 -1.21 0.00 0.00 0.00 175.76 174.93 1pko s GLU 21 N 0.31 3.48 -0.24 0.00 2.02 -1.26 -0.72 118.70 122.29 1pko s GLU 21 Ca -0.06 -0.59 -0.04 0.00 0.02 0.00 0.00 54.97 54.30 1pko s GLU 21 Cb -0.11 -3.00 -0.00 0.00 0.10 0.00 0.00 34.13 31.12 1pko s GLU 21 CO 0.01 -0.07 -0.02 -0.51 0.02 0.00 0.00 175.26 174.70 1pko s LEU 22 N 1.16 3.11 0.19 1.80 1.43 0.35 -4.93 118.68 121.80 1pko s LEU 22 Ca 0.02 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 1pko s LEU 22 Cb -0.15 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1pko s LEU 22 CO -0.00 -0.06 0.40 -2.16 0.23 0.00 0.00 176.35 174.76 1pko s PRO 23 N 1.48 3.56 -0.06 1.29 0.04 -1.26 -0.45 135.00 139.59 1pko s PRO 23 Ca 0.05 -0.24 -0.21 0.00 0.04 0.00 0.00 61.00 60.64 1pko s PRO 23 Cb -0.15 -2.82 0.04 0.00 0.04 0.00 0.00 34.50 31.61 1pko s PRO 23 CO -0.02 0.40 0.47 0.00 0.04 0.00 0.00 177.00 177.89 1pko s ARG 25 N -0.94 0.60 0.17 0.00 1.70 -0.32 -1.35 118.95 118.80 1pko s ARG 25 Ca -0.10 -0.77 -0.08 0.00 -0.47 0.00 0.00 55.73 54.31 1pko s ARG 25 Cb -0.03 0.23 -0.06 0.00 -0.57 0.00 0.00 34.95 34.52 1pko s ARG 25 CO 0.05 -0.15 0.46 0.96 -1.08 0.00 0.00 175.30 175.54 1pko s ILE 26 N -2.69 5.04 -0.04 4.99 -4.36 -0.22 -0.54 121.20 123.38 1pko s ILE 26 Ca -0.04 0.32 -0.00 0.00 -0.26 0.00 0.00 60.65 60.66 1pko s ILE 26 Cb -0.01 -3.63 0.03 0.00 1.25 0.00 0.00 42.46 40.10 1pko s ILE 26 CO -0.05 0.05 -0.00 -0.55 0.24 0.00 0.00 174.94 174.62 1pko s SER 27 N -2.26 0.88 0.67 4.36 0.15 0.33 -3.29 113.70 114.55 1pko s SER 27 Ca 0.42 -0.05 -0.16 0.00 0.70 0.00 0.00 55.95 56.86 1pko s SER 27 Cb -0.12 -0.31 0.01 0.00 -1.71 0.00 0.00 66.02 63.88 1pko s SER 27 CO 0.22 -0.13 1.16 -2.84 1.20 0.00 0.00 173.24 172.85 1pko s PRO 28 N 1.33 2.59 0.33 5.44 0.02 -1.26 -0.46 135.00 142.99 1pko s PRO 28 Ca -0.05 1.58 -0.29 0.00 0.02 0.00 0.00 61.00 62.26 1pko s PRO 28 Cb -0.13 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.38 1pko s PRO 28 CO -0.02 -1.45 1.36 0.20 -0.33 0.00 0.00 177.00 176.76 1pko s GLY 29 N -2.24 2.89 0.22 0.52 0.00 -1.21 -4.94 107.32 102.56 1pko s GLY 29 Ca 0.71 1.34 -0.23 0.00 0.00 0.00 0.00 44.72 46.54 1pko s GLY 29 CO 0.41 2.04 0.84 -1.59 0.00 0.00 0.00 173.10 174.80 1pko s LYS 30 N -1.64 1.49 0.04 2.90 -2.85 -1.25 -4.97 119.74 113.46 1pko s LYS 30 Ca 0.51 -0.82 -0.30 0.00 -1.00 0.00 0.00 55.97 54.36 1pko s LYS 30 Cb -0.41 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 35.77 1pko s LYS 30 CO 0.54 -0.68 1.98 1.21 0.10 0.00 0.00 175.35 178.49 1pko s ASN 31 N -2.93 6.44 0.00 0.03 2.47 -1.21 -1.89 114.94 117.85 1pko s ASN 31 Ca 0.12 2.67 0.12 0.00 0.42 0.00 0.00 52.86 56.19 1pko s ASN 31 Cb -0.04 -2.53 0.32 0.00 -1.45 0.00 0.00 41.25 37.55 1pko s ASN 31 CO 0.05 -1.07 1.24 0.00 -3.72 0.00 0.00 177.10 173.61 1pko n ALA 32 N 7.59 2.23 -0.05 1.71 0.00 -0.41 -4.64 120.51 126.94 1pko n ALA 32 Ca 0.20 -1.10 0.14 0.00 0.00 0.00 0.00 53.44 52.68 1pko n ALA 32 Cb 0.41 -0.48 0.55 0.00 0.00 0.00 0.00 19.45 19.93 1pko n ALA 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1pko h THR 33 N 2.31 0.86 -1.40 0.00 2.02 -1.90 -3.45 112.91 111.36 1pko h THR 33 Ca 0.00 -0.10 -0.60 0.00 0.77 0.00 0.00 66.41 66.48 1pko h THR 33 Cb 0.74 0.54 -0.21 0.00 -1.74 0.00 0.00 68.15 67.47 1pko h THR 33 CO 0.00 0.05 0.66 0.61 0.37 0.00 0.00 175.52 177.22 1pko n GLY 34 N -1.55 4.78 3.20 2.16 0.00 -1.26 -4.37 105.19 108.15 1pko n GLY 34 Ca 0.09 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 1pko n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pko s GLU 36 N -2.52 3.00 -0.08 1.61 2.12 -0.56 -4.71 118.70 117.56 1pko s GLU 36 Ca 0.56 -0.86 0.01 0.00 0.36 0.00 0.00 54.97 55.04 1pko s GLU 36 Cb 0.40 -2.30 0.02 0.00 0.26 0.00 0.00 34.13 32.51 1pko s GLU 36 CO -0.29 0.14 -0.08 0.08 -0.54 0.00 0.00 175.26 174.57 1pko s VAL 37 N 0.44 0.90 0.15 3.70 1.01 0.30 -0.42 120.40 126.48 1pko s VAL 37 Ca -0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1pko s VAL 37 Cb -0.17 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1pko s VAL 37 CO 0.07 0.32 0.12 -0.83 0.00 0.00 0.00 175.10 174.78 1pko s GLY 38 N 1.21 0.93 -0.03 4.51 0.00 -0.57 -0.42 107.32 112.95 1pko s GLY 38 Ca -0.05 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.32 1pko s GLY 38 CO -0.02 -1.25 -0.09 -0.98 0.00 0.00 0.00 173.10 170.76 1pko s TRP 39 N -4.05 1.03 0.09 1.90 0.52 0.10 -0.73 118.94 117.80 1pko s TRP 39 Ca 0.25 -0.28 -0.01 0.00 0.02 0.00 0.00 56.10 56.08 1pko s TRP 39 Cb 0.06 -0.74 -0.04 0.00 -1.15 0.00 0.00 33.47 31.60 1pko s TRP 39 CO 0.03 -0.13 0.01 1.52 0.02 0.00 0.00 176.95 178.40 1pko s TYR 40 N 0.29 0.67 0.05 -1.98 -0.85 0.24 -0.36 117.35 115.42 1pko s TYR 40 Ca -0.05 -1.14 -0.25 0.00 -0.52 0.00 0.00 57.07 55.11 1pko s TYR 40 Cb -0.10 -0.43 -0.06 0.00 0.38 0.00 0.00 41.96 41.76 1pko s TYR 40 CO 0.01 -0.45 0.76 1.03 -1.52 0.00 0.00 175.55 175.38 1pko s ARG 41 N -3.98 4.49 -0.89 -3.49 1.81 0.07 -0.66 118.95 116.30 1pko s ARG 41 Ca 0.15 1.06 -0.10 0.00 -1.72 0.00 0.00 55.73 55.12 1pko s ARG 41 Cb 0.08 -3.35 0.23 0.00 -0.45 0.00 0.00 34.95 31.45 1pko s ARG 41 CO -0.05 0.31 0.82 -1.12 -0.68 0.00 0.00 175.30 174.59 1pko s SER 42 N -0.17 6.67 0.00 0.23 0.01 -0.75 -4.29 113.70 115.40 1pko s SER 42 Ca 0.38 -3.04 0.00 0.00 1.31 0.00 0.00 55.95 54.60 1pko s SER 42 Cb -0.21 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1pko s SER 42 CO 0.23 -0.44 0.00 -0.24 0.41 0.00 0.00 173.24 173.20 1pko n SER 45 N 3.44 0.00 -4.67 2.44 2.88 -1.26 -4.16 113.62 112.29 1pko n SER 45 Ca 0.16 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 57.22 1pko n SER 45 Cb 0.43 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.84 1pko n SER 45 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pko n ARG 46 N -1.85 2.09 -2.63 -1.46 5.12 -1.26 -4.91 116.66 111.76 1pko n ARG 46 Ca 0.00 0.76 -0.43 0.00 -1.93 0.00 0.00 57.85 56.25 1pko n ARG 46 Cb 0.00 -2.56 -0.02 0.00 -1.16 0.00 0.00 32.46 28.72 1pko n ARG 46 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1pko s VAL 47 N 2.74 4.43 -0.05 1.55 1.01 -1.26 -0.75 120.40 128.06 1pko s VAL 47 Ca 0.87 1.60 -0.18 0.00 0.00 0.00 0.00 61.98 64.27 1pko s VAL 47 Cb -0.71 -4.47 -0.31 0.00 0.00 0.00 0.00 36.38 30.89 1pko s VAL 47 CO 0.47 -0.62 0.78 0.58 0.00 0.00 0.00 175.10 176.31 1pko h VAL 48 N 5.87 1.27 -1.94 2.92 2.07 -1.03 0.30 116.25 125.71 1pko h VAL 48 Ca -0.21 -2.52 -0.03 0.00 0.82 0.00 0.00 66.70 64.76 1pko h VAL 48 Cb 1.06 2.98 -0.21 0.00 -1.52 0.00 0.00 31.29 33.60 1pko h VAL 48 CO 1.06 0.74 0.20 -2.28 0.02 0.00 0.00 177.57 177.30 1pko s HIS 49 N -2.48 -0.71 -0.01 1.57 2.46 -1.10 -4.71 115.29 110.31 1pko s HIS 49 Ca -0.15 1.62 0.01 0.00 0.47 0.00 0.00 55.06 57.01 1pko s HIS 49 Cb 0.03 0.32 0.01 0.00 -0.13 0.00 0.00 32.58 32.80 1pko s HIS 49 CO 0.83 -0.41 -0.02 -1.17 -2.47 0.00 0.00 174.74 171.51 1pko s LEU 50 N -0.02 1.72 -0.06 8.88 2.96 -1.26 -0.72 118.68 130.17 1pko s LEU 50 Ca -0.02 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1pko s LEU 50 Cb -0.04 -0.16 0.00 0.00 0.50 0.00 0.00 46.19 46.50 1pko s LEU 50 CO 0.02 -0.01 -0.16 -0.47 -1.32 0.00 0.00 176.35 174.40 1pko s TYR 51 N 0.31 1.75 -0.05 5.38 5.04 0.43 -0.10 117.35 130.12 1pko s TYR 51 Ca -0.03 -0.61 -0.30 0.00 -2.44 0.00 0.00 57.07 53.69 1pko s TYR 51 Cb -0.05 -1.22 0.07 0.00 0.35 0.00 0.00 41.96 41.11 1pko s TYR 51 CO -0.01 -0.26 0.66 0.50 -1.34 0.00 0.00 175.55 175.11 1pko s ARG 52 N 0.36 1.04 -1.53 4.97 3.52 -0.58 -0.54 118.95 126.19 1pko s ARG 52 Ca -0.11 0.23 -0.12 0.00 -0.13 0.00 0.00 55.73 55.61 1pko s ARG 52 Cb -0.15 0.49 0.08 0.00 -1.56 0.00 0.00 34.95 33.82 1pko s ARG 52 CO 0.04 -0.32 0.85 0.09 -0.81 0.00 0.00 175.30 175.15 1pko n ASN 53 N 0.92 -3.57 0.00 -2.12 5.03 -1.26 -2.33 115.26 111.93 1pko n ASN 53 Ca -0.19 -0.85 0.00 0.00 0.87 0.00 0.00 54.58 54.41 1pko n ASN 53 Cb 0.57 -3.60 0.00 0.00 -1.02 0.00 0.00 39.78 35.73 1pko n ASN 53 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pko n GLY 54 N -1.65 0.60 3.40 7.41 0.00 -1.26 -5.01 105.19 108.69 1pko n GLY 54 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1pko n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pko s LYS 55 N -0.09 1.21 0.34 1.61 0.00 -0.99 -5.13 119.74 116.69 1pko s LYS 55 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 55.97 55.21 1pko s LYS 55 Cb 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 37.83 38.28 1pko s LYS 55 CO 0.00 -0.51 1.41 -0.51 0.00 0.00 0.00 175.35 175.74 1pko s ASP 56 N -2.63 6.57 -0.87 0.03 1.01 -1.26 -1.53 116.67 117.98 1pko s ASP 56 Ca 0.00 2.84 -0.09 0.00 0.71 0.00 0.00 52.55 56.01 1pko s ASP 56 Cb -0.00 -2.65 0.22 0.00 1.01 0.00 0.00 42.92 41.50 1pko s ASP 56 CO -0.11 -0.71 0.79 -1.10 0.21 0.00 0.00 175.17 174.25 1pko s GLN 57 N -1.66 3.52 0.36 8.23 -1.52 0.86 -4.90 119.66 124.55 1pko s GLN 57 Ca 0.52 -2.75 0.04 0.00 -1.95 0.00 0.00 55.36 51.22 1pko s GLN 57 Cb -0.43 -4.28 0.69 0.00 -0.22 0.00 0.00 33.01 28.77 1pko s GLN 57 CO 0.55 -1.26 2.02 -0.44 -0.25 0.00 0.00 175.29 175.92 1pko h ASP 58 N 7.17 0.65 0.62 5.90 3.32 -1.93 -2.53 116.42 129.63 1pko h ASP 58 Ca 0.11 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1pko h ASP 58 Cb 0.96 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1pko h ASP 58 CO 0.82 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 178.82 1pko n ALA 59 N -2.45 1.73 0.60 3.45 0.00 -1.26 -3.22 120.51 119.36 1pko n ALA 59 Ca 0.05 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.57 1pko n ALA 59 Cb 0.05 -1.30 0.12 0.00 0.00 0.00 0.00 19.45 18.33 1pko n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pko n GLU 60 N -1.70 1.97 -3.64 0.00 1.02 -0.95 -4.98 120.64 112.35 1pko n GLU 60 Ca 0.03 -1.85 -0.25 0.00 -0.02 0.00 0.00 57.16 55.08 1pko n GLU 60 Cb 0.20 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 1pko n GLU 60 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1pko s GLN 61 N -1.53 3.49 1.19 3.49 -2.07 -1.20 -4.72 119.66 118.31 1pko s GLN 61 Ca 0.27 -0.43 -0.16 0.00 -1.82 0.00 0.00 55.36 53.22 1pko s GLN 61 Cb 0.18 -2.79 0.28 0.00 -1.09 0.00 0.00 33.01 29.59 1pko s GLN 61 CO 0.26 0.32 1.03 0.00 -1.32 0.00 0.00 175.29 175.58 1pko s ALA 62 N -2.05 -0.10 0.07 2.60 0.00 0.10 -4.89 121.76 117.48 1pko s ALA 62 Ca 0.38 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.77 1pko s ALA 62 Cb -0.10 -3.10 -0.27 0.00 0.00 0.00 0.00 23.12 19.65 1pko s ALA 62 CO 0.31 -3.76 1.12 -1.35 0.00 0.00 0.00 175.76 172.09 1pko h PRO 63 N -2.63 0.52 0.00 0.00 0.11 -1.98 -3.08 132.00 124.94 1pko h PRO 63 Ca -0.55 -0.73 0.00 0.00 0.11 0.00 0.00 66.00 64.83 1pko h PRO 63 Cb 1.33 0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.69 1pko h PRO 63 CO 0.46 1.32 0.00 -0.85 -0.21 0.00 0.00 178.00 178.73 1pko n GLU 64 N -3.73 0.21 -0.00 1.05 0.00 -1.26 -2.57 120.64 114.34 1pko n GLU 64 Ca -0.12 0.10 0.02 0.00 0.00 0.00 0.00 57.16 57.15 1pko n GLU 64 Cb 0.99 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.90 1pko n GLU 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1pko n TYR 65 N -1.14 0.00 -1.67 -1.84 4.01 -1.23 -4.94 117.16 110.35 1pko n TYR 65 Ca 0.06 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.34 1pko n TYR 65 Cb 0.05 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 38.98 1pko n TYR 65 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1pko n ARG 66 N -1.50 2.18 -1.04 -0.72 1.74 -1.06 -0.44 116.66 115.82 1pko n ARG 66 Ca -0.00 0.79 -0.01 0.00 -0.77 0.00 0.00 57.85 57.85 1pko n ARG 66 Cb 0.09 -2.56 -0.01 0.00 -1.02 0.00 0.00 32.46 28.96 1pko n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pko n GLY 67 N 3.42 0.31 0.18 -0.13 0.00 -1.26 -4.82 105.19 102.88 1pko n GLY 67 Ca 0.17 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1pko n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pko n ARG 68 N -0.61 1.98 -4.22 1.61 1.74 0.42 -4.99 116.66 112.59 1pko n ARG 68 Ca -0.01 -0.56 -0.16 0.00 -0.77 0.00 0.00 57.85 56.34 1pko n ARG 68 Cb 0.34 -1.01 -0.11 0.00 -1.02 0.00 0.00 32.46 30.66 1pko n ARG 68 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1pko s THR 69 N -1.03 1.17 0.01 0.55 -4.23 -1.22 -0.62 115.64 110.27 1pko s THR 69 Ca 0.06 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 58.80 1pko s THR 69 Cb 0.06 -1.51 -0.01 0.00 1.34 0.00 0.00 72.50 72.38 1pko s THR 69 CO 0.17 -0.51 0.07 -1.61 -0.54 0.00 0.00 174.62 172.19 1pko s GLU 70 N -2.85 0.43 -0.24 3.99 2.02 -0.54 -4.98 118.70 116.53 1pko s GLU 70 Ca 0.09 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.54 1pko s GLU 70 Cb -0.03 0.17 0.03 0.00 0.10 0.00 0.00 34.13 34.40 1pko s GLU 70 CO 0.02 -0.09 -0.08 -1.17 0.02 0.00 0.00 175.26 173.95 1pko s LEU 71 N -1.50 3.11 -0.49 1.80 2.96 -1.26 -0.32 118.68 122.99 1pko s LEU 71 Ca -0.14 -0.90 -0.29 0.00 -0.22 0.00 0.00 54.13 52.58 1pko s LEU 71 Cb -0.08 -1.63 0.03 0.00 0.50 0.00 0.00 46.19 45.01 1pko s LEU 71 CO -0.00 -0.12 1.16 -0.76 -1.32 0.00 0.00 176.35 175.30 1pko s LEU 72 N 1.30 3.61 0.00 -0.68 1.43 0.64 -4.88 118.68 120.10 1pko s LEU 72 Ca -0.00 0.45 0.14 0.00 -1.03 0.00 0.00 54.13 53.69 1pko s LEU 72 Cb -0.17 -3.52 0.40 0.00 0.03 0.00 0.00 46.19 42.94 1pko s LEU 72 CO -0.05 -1.29 1.33 0.29 0.23 0.00 0.00 176.35 176.86 1pko n LYS 73 N 7.92 2.75 -0.17 1.70 5.02 -1.26 -2.88 118.16 131.24 1pko n LYS 73 Ca 0.12 -2.21 0.20 0.00 -2.02 0.00 0.00 58.31 54.40 1pko n LYS 73 Cb 0.49 -1.36 0.58 0.00 -0.02 0.00 0.00 35.03 34.72 1pko n LYS 73 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1pko h GLU 74 N 2.75 0.25 -0.33 1.97 4.81 -1.90 -1.06 114.58 121.07 1pko h GLU 74 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1pko h GLU 74 Cb 0.80 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1pko h GLU 74 CO 0.00 0.17 0.00 0.43 -0.73 0.00 0.00 179.01 178.88 1pko n SER 75 N -4.43 4.04 0.28 1.04 7.64 -1.26 -4.63 113.62 116.29 1pko n SER 75 Ca 0.16 -2.84 0.15 0.00 1.01 0.00 0.00 58.87 57.35 1pko n SER 75 Cb 0.69 -0.52 0.81 0.00 -1.01 0.00 0.00 64.21 64.18 1pko n SER 75 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1pko h ILE 76 N 2.23 0.40 0.00 0.44 2.10 -0.85 -0.34 117.51 121.49 1pko h ILE 76 Ca 0.00 -0.41 0.00 0.00 1.08 0.00 0.00 64.86 65.53 1pko h ILE 76 Cb 1.42 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.44 1pko h ILE 76 CO 0.23 0.08 0.00 0.61 -1.08 0.00 0.00 178.15 177.98 1pko n GLY 77 N -0.69 -1.19 0.75 8.18 0.00 -1.26 -1.29 105.19 109.68 1pko n GLY 77 Ca -0.02 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1pko n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pko n GLU 78 N -1.95 1.92 -0.74 1.61 1.02 -0.18 -3.28 120.64 119.04 1pko n GLU 78 Ca 0.03 -1.81 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 1pko n GLU 78 Cb 0.22 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1pko n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pko n GLY 79 N 0.90 0.54 3.27 0.62 0.00 -0.43 -3.76 105.19 106.34 1pko n GLY 79 Ca 0.12 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1pko n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pko s LYS 80 N -1.41 2.17 0.10 1.61 1.02 -0.95 -1.06 119.74 121.22 1pko s LYS 80 Ca 0.00 -0.87 -0.03 0.00 0.02 0.00 0.00 55.97 55.09 1pko s LYS 80 Cb 0.00 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1pko s LYS 80 CO 0.00 0.46 0.08 0.14 -0.92 0.00 0.00 175.35 175.11 1pko s VAL 81 N -0.40 0.15 -0.03 3.17 -7.23 -0.46 -2.45 120.40 113.16 1pko s VAL 81 Ca 0.04 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1pko s VAL 81 Cb -0.11 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.14 1pko s VAL 81 CO 0.01 -0.67 0.05 0.00 -0.31 0.00 0.00 175.10 174.18 1pko s ALA 82 N -3.96 -0.06 -0.11 1.32 0.00 -1.14 -1.65 121.76 116.16 1pko s ALA 82 Ca 0.14 0.28 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 1pko s ALA 82 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1pko s ALA 82 CO -0.05 -0.07 0.75 -1.17 0.00 0.00 0.00 175.76 175.22 1pko s LEU 83 N 0.60 4.25 -0.23 0.00 2.96 0.41 -0.26 118.68 126.41 1pko s LEU 83 Ca -0.05 1.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.97 1pko s LEU 83 Cb -0.07 -3.14 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 1pko s LEU 83 CO -0.02 -0.23 0.03 -0.60 -1.32 0.00 0.00 176.35 174.20 1pko s ARG 84 N 1.38 3.59 -0.22 1.98 3.52 0.57 -0.50 118.95 129.27 1pko s ARG 84 Ca 0.38 -0.52 -0.08 0.00 -0.13 0.00 0.00 55.73 55.38 1pko s ARG 84 Cb -0.17 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 29.99 1pko s ARG 84 CO 0.16 -0.12 0.08 0.42 -0.81 0.00 0.00 175.30 175.03 1pko s ILE 85 N 1.38 4.64 0.22 4.11 1.01 0.10 -1.47 121.20 131.20 1pko s ILE 85 Ca 0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.55 1pko s ILE 85 Cb -0.15 -3.13 -0.06 0.00 0.01 0.00 0.00 42.46 39.13 1pko s ILE 85 CO 0.02 0.39 0.50 -1.10 0.00 0.00 0.00 174.94 174.75 1pko s GLN 86 N 1.02 3.71 -1.14 2.79 -0.21 0.21 -0.87 119.66 125.17 1pko s GLN 86 Ca 0.04 0.11 -0.18 0.00 0.02 0.00 0.00 55.36 55.35 1pko s GLN 86 Cb -0.14 -2.70 -0.01 0.00 1.00 0.00 0.00 33.01 31.16 1pko s GLN 86 CO 0.03 0.33 0.79 0.09 -2.12 0.00 0.00 175.29 174.42 1pko n ASN 87 N -0.27 -5.19 -4.73 5.90 3.02 -1.09 -4.85 115.26 108.05 1pko n ASN 87 Ca -0.01 -0.98 -0.42 0.00 -0.03 0.00 0.00 54.58 53.14 1pko n ASN 87 Cb 0.53 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 1pko n ASN 87 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1pko n VAL 88 N -4.11 2.18 -4.24 2.41 0.31 -0.16 -4.65 118.33 110.08 1pko n VAL 88 Ca -0.10 -0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 63.59 1pko n VAL 88 Cb 0.60 -1.72 -0.10 0.00 -0.91 0.00 0.00 33.84 31.72 1pko n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pko s ARG 89 N -2.06 1.33 0.44 5.55 1.70 -1.26 -0.57 118.95 124.07 1pko s ARG 89 Ca 0.56 -1.72 0.12 0.00 -0.47 0.00 0.00 55.73 54.22 1pko s ARG 89 Cb -0.52 0.18 1.00 0.00 -0.57 0.00 0.00 34.95 35.04 1pko s ARG 89 CO 0.62 -0.42 2.03 0.74 -1.08 0.00 0.00 175.30 177.19 1pko h PHE 90 N 2.50 0.41 0.00 5.89 0.04 -1.95 -0.62 116.94 123.20 1pko h PHE 90 Ca -0.35 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.43 1pko h PHE 90 Cb 1.25 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1pko h PHE 90 CO 0.59 0.23 0.00 0.66 -0.60 0.00 0.00 178.31 179.19 1pko h SER 91 N 0.42 0.00 1.38 2.17 4.64 -2.00 -1.24 113.55 118.92 1pko h SER 91 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1pko h SER 91 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1pko h SER 91 CO -0.05 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.38 1pko n ASP 92 N -2.71 0.69 -4.76 4.97 8.00 -0.24 -4.88 116.55 117.61 1pko n ASP 92 Ca -0.01 0.57 -0.39 0.00 0.71 0.00 0.00 54.79 55.67 1pko n ASP 92 Cb 0.15 -0.75 0.01 0.00 -0.02 0.00 0.00 41.12 40.51 1pko n ASP 92 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1pko s GLU 93 N -3.09 3.62 0.00 -1.24 2.12 -0.47 -4.82 118.70 114.82 1pko s GLU 93 Ca 0.11 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.59 1pko s GLU 93 Cb 0.13 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 32.01 1pko s GLU 93 CO 0.58 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 1pko n GLY 94 N 0.63 0.31 3.84 -1.50 0.00 0.21 -4.96 105.19 103.71 1pko n GLY 94 Ca 0.07 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 1pko n GLY 94 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pko s GLY 95 N 0.00 2.44 0.07 -0.02 0.00 -1.26 -0.90 107.32 107.64 1pko s GLY 95 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.68 1pko s GLY 95 CO 0.00 0.19 -0.08 -0.19 0.00 0.00 0.00 173.10 173.02 1pko s TYR 96 N -1.63 0.81 -0.10 1.90 1.51 0.45 -1.82 117.35 118.47 1pko s TYR 96 Ca 0.43 -0.63 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 1pko s TYR 96 Cb -0.14 -0.47 0.01 0.00 -0.11 0.00 0.00 41.96 41.25 1pko s TYR 96 CO 0.20 -0.08 -0.16 0.99 -1.11 0.00 0.00 175.55 175.38 1pko s THR 97 N -2.10 1.55 0.02 -0.71 2.01 0.16 -1.03 115.64 115.53 1pko s THR 97 Ca -0.02 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1pko s THR 97 Cb -0.05 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1pko s THR 97 CO -0.01 0.45 0.03 0.00 -0.69 0.00 0.00 174.62 174.41 1pko s PHE 99 N -1.18 0.24 -0.07 0.00 -0.12 0.09 -1.41 117.98 115.53 1pko s PHE 99 Ca 0.22 -0.52 0.03 0.00 -0.05 0.00 0.00 56.93 56.61 1pko s PHE 99 Cb -0.12 -0.18 0.01 0.00 -0.63 0.00 0.00 43.02 42.11 1pko s PHE 99 CO 0.13 -0.29 -0.15 -0.06 -0.05 0.00 0.00 175.22 174.81 1pko s PHE 100 N -2.12 1.73 -0.10 3.49 0.40 -0.75 -1.51 117.98 119.12 1pko s PHE 100 Ca -0.09 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 55.58 1pko s PHE 100 Cb -0.05 -1.23 0.02 0.00 0.51 0.00 0.00 43.02 42.27 1pko s PHE 100 CO -0.03 -0.32 -0.14 0.50 0.70 0.00 0.00 175.22 175.94 1pko s ARG 101 N 0.60 2.04 -0.47 0.44 3.52 0.44 -2.02 118.95 123.50 1pko s ARG 101 Ca -0.15 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1pko s ARG 101 Cb -0.16 -1.77 0.12 0.00 -1.56 0.00 0.00 34.95 31.58 1pko s ARG 101 CO 0.05 -0.07 0.23 0.34 -0.81 0.00 0.00 175.30 175.03 1pko s ASP 102 N 1.03 4.79 1.69 -2.12 2.15 0.63 -1.49 116.67 123.35 1pko s ASP 102 Ca -0.06 -2.57 0.00 0.00 0.43 0.00 0.00 52.55 50.34 1pko s ASP 102 Cb -0.15 -1.71 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 1pko s ASP 102 CO -0.02 -0.36 0.00 1.41 -0.17 0.00 0.00 175.17 176.04 1pko n HIS 103 N 3.76 0.00 1.24 -5.34 8.25 -1.26 -1.74 115.22 120.14 1pko n HIS 103 Ca 0.04 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.63 1pko n HIS 103 Cb 0.38 0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.82 1pko n HIS 103 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1pko n SER 104 N 9.85 1.31 -4.72 0.41 3.41 -1.26 -4.86 113.62 117.76 1pko n SER 104 Ca 0.00 -1.11 -0.36 0.00 -0.26 0.00 0.00 58.87 57.14 1pko n SER 104 Cb 0.00 0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1pko n SER 104 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1pko s TYR 105 N -2.40 3.41 -0.01 7.33 5.04 -0.71 -5.08 117.35 124.93 1pko s TYR 105 Ca 0.26 0.40 -0.01 0.00 -2.44 0.00 0.00 57.07 55.27 1pko s TYR 105 Cb 0.19 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 40.27 1pko s TYR 105 CO 0.49 0.23 0.03 -1.14 -1.34 0.00 0.00 175.55 173.82 1pko s GLN 106 N 0.53 0.04 0.12 4.97 0.74 -1.26 -0.27 119.66 124.53 1pko s GLN 106 Ca 0.11 0.02 0.01 0.00 0.05 0.00 0.00 55.36 55.55 1pko s GLN 106 Cb -0.12 0.02 -0.04 0.00 1.10 0.00 0.00 33.01 33.97 1pko s GLN 106 CO 0.01 -0.01 -0.03 -1.21 -0.55 0.00 0.00 175.29 173.50 1pko s GLU 107 N -0.03 0.92 0.19 1.67 0.41 -0.86 -5.01 118.70 116.00 1pko s GLU 107 Ca -0.01 -1.40 -0.09 0.00 -0.41 0.00 0.00 54.97 53.06 1pko s GLU 107 Cb -0.00 -0.18 -0.01 0.00 -1.78 0.00 0.00 34.13 32.15 1pko s GLU 107 CO 0.00 -0.07 0.32 -1.83 -0.49 0.00 0.00 175.26 173.18 1pko s GLU 108 N -3.88 1.27 0.05 1.61 -1.05 -1.26 -1.81 118.70 113.63 1pko s GLU 108 Ca 0.16 -1.25 -0.09 0.00 -0.15 0.00 0.00 54.97 53.65 1pko s GLU 108 Cb 0.06 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1pko s GLU 108 CO -0.02 -0.48 0.18 0.00 0.95 0.00 0.00 175.26 175.90 1pko s ALA 109 N -4.00 -0.31 -0.13 -0.84 0.00 -0.50 -4.48 121.76 111.50 1pko s ALA 109 Ca 0.21 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.72 1pko s ALA 109 Cb 0.03 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1pko s ALA 109 CO 0.04 -0.38 0.17 0.00 0.00 0.00 0.00 175.76 175.59 1pko s ALA 110 N -2.78 3.81 -0.01 0.00 0.00 -1.26 -1.22 121.76 120.30 1pko s ALA 110 Ca -0.03 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1pko s ALA 110 Cb -0.00 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.05 1pko s ALA 110 CO -0.05 0.49 -0.07 0.08 0.00 0.00 0.00 175.76 176.21 1pko s VAL 111 N -0.68 0.54 -0.05 0.00 1.01 -0.20 -4.68 120.40 116.35 1pko s VAL 111 Ca 0.14 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1pko s VAL 111 Cb -0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1pko s VAL 111 CO 0.04 0.17 -0.13 -0.70 0.00 0.00 0.00 175.10 174.47 1pko s GLU 112 N 0.01 2.51 -0.13 2.72 2.12 -1.26 -0.41 118.70 124.26 1pko s GLU 112 Ca 0.00 -0.69 0.02 0.00 0.36 0.00 0.00 54.97 54.66 1pko s GLU 112 Cb -0.05 -2.40 -0.00 0.00 0.26 0.00 0.00 34.13 31.94 1pko s GLU 112 CO -0.00 0.62 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.99 1pko s LEU 113 N -0.79 2.39 -0.10 2.70 2.96 -0.08 -0.71 118.68 125.05 1pko s LEU 113 Ca 0.12 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1pko s LEU 113 Cb -0.11 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 1pko s LEU 113 CO 0.01 0.13 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.61 1pko s LYS 114 N 0.53 3.15 -0.07 1.98 1.02 0.66 -0.62 119.74 126.38 1pko s LYS 114 Ca -0.11 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.45 1pko s LYS 114 Cb -0.16 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 1pko s LYS 114 CO 0.04 0.57 -0.18 0.08 -0.92 0.00 0.00 175.35 174.94 1pko s VAL 115 N -0.51 1.53 -0.05 3.17 1.01 -1.26 -1.11 120.40 123.18 1pko s VAL 115 Ca 0.09 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1pko s VAL 115 Cb -0.12 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1pko s VAL 115 CO 0.02 0.44 -0.24 -0.70 0.00 0.00 0.00 175.10 174.63 1pko s GLU 116 N 0.40 2.36 -0.46 2.72 2.12 -0.48 -4.97 118.70 120.39 1pko s GLU 116 Ca -0.14 -0.85 -0.17 0.00 0.36 0.00 0.00 54.97 54.18 1pko s GLU 116 Cb -0.16 -2.03 0.05 0.00 0.26 0.00 0.00 34.13 32.25 1pko s GLU 116 CO 0.05 0.37 0.45 0.34 -0.54 0.00 0.00 175.26 175.94 1pko s ASP 117 N -0.17 6.18 0.10 -1.70 -1.08 -1.26 -0.48 116.67 118.26 1pko s ASP 117 Ca -0.02 -0.96 0.18 0.00 -0.52 0.00 0.00 52.55 51.23 1pko s ASP 117 Cb -0.13 -2.22 0.76 0.00 -1.46 0.00 0.00 42.92 39.88 1pko s ASP 117 CO 0.03 -0.66 1.56 -0.81 0.52 0.00 0.00 175.17 175.81 1pko n PRO 118 N 5.56 0.08 -1.95 4.34 -0.04 -1.26 -2.58 135.00 139.15 1pko n PRO 118 Ca -0.09 0.32 -0.24 0.00 -0.04 0.00 0.00 63.50 63.44 1pko n PRO 118 Cb 0.46 -1.65 0.03 0.00 -0.04 0.00 0.00 33.50 32.29 1pko n PRO 118 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1pko n PHE 119 N -1.80 2.75 0.28 0.54 3.72 -1.26 -4.80 117.46 116.89 1pko n PHE 119 Ca 0.03 -2.27 0.18 0.00 -0.05 0.00 0.00 57.45 55.34 1pko n PHE 119 Cb 0.19 -0.43 0.95 0.00 -0.94 0.00 0.00 39.48 39.26 1pko n PHE 119 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 1pko h TYR 120 N 2.15 0.00 -0.01 1.38 -0.00 -1.93 -2.39 116.97 116.18 1pko h TYR 120 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.11 1pko h TYR 120 Cb 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.21 1pko h TYR 120 CO 0.90 0.00 -0.06 -2.67 -0.00 0.00 0.00 178.16 176.33 1pko n TRP 121 N -3.45 0.00 -2.72 0.10 4.27 -1.26 -4.94 117.44 109.44 1pko n TRP 121 Ca -0.01 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.31 1pko n TRP 121 Cb 0.23 -0.05 -0.01 0.00 -1.36 0.00 0.00 31.31 30.12 1pko n TRP 121 CO 0.00 0.00 0.00 0.96 -2.29 0.00 0.00 177.69 176.36 1pko s ILE 122 N -2.15 4.86 -1.36 -1.67 -4.36 -0.90 -4.39 121.20 111.23 1pko s ILE 122 Ca 0.36 0.38 -0.01 0.00 -0.26 0.00 0.00 60.65 61.11 1pko s ILE 122 Cb 0.21 -3.81 -0.00 0.00 1.25 0.00 0.00 42.46 40.11 1pko s ILE 122 CO 0.39 -0.71 0.51 0.59 0.24 0.00 0.00 174.94 175.96 1pko n ASN 123 N -1.86 -0.81 -4.88 4.36 3.02 -1.26 -4.97 115.26 108.86 1pko n ASN 123 Ca 0.01 -0.96 -0.29 0.00 -0.03 0.00 0.00 54.58 53.31 1pko n ASN 123 Cb 0.55 -3.33 0.08 0.00 -0.61 0.00 0.00 39.78 36.46 1pko n ASN 123 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1pko s PRO 124 N -6.37 2.27 0.00 3.52 0.02 -1.26 -4.39 135.00 128.80 1pko s PRO 124 Ca 0.03 0.28 0.00 0.00 0.02 0.00 0.00 61.00 61.33 1pko s PRO 124 Cb -0.01 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1pko s PRO 124 CO 0.87 -1.41 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 1pko n GLY 125 N -3.09 0.44 0.00 0.52 0.00 -1.26 -5.26 105.19 96.54 1pko n GLY 125 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1pko n GLY 125 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36