#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p47 s VAL 2 N 0.00 4.76 0.00 5.09 1.01 -1.26 -4.56 120.40 125.43 2p47 s VAL 2 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2p47 s VAL 2 Cb 0.00 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2p47 s VAL 2 CO 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 175.10 174.07 2p47 n GLN 3 N 6.49 0.76 0.00 2.72 6.02 -0.63 -4.88 117.38 127.87 2p47 n GLN 3 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 2p47 n GLN 3 Cb 0.44 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.70 2p47 n GLN 3 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2p47 n VAL 5 N -0.55 0.00 -4.41 5.09 0.31 -0.45 -1.38 118.33 116.95 2p47 n VAL 5 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 2p47 n VAL 5 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 2p47 n VAL 5 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2p47 s GLU 6 N 0.00 1.46 0.11 5.55 2.02 -1.26 -1.26 118.70 125.32 2p47 s GLU 6 Ca 0.00 -1.44 -0.25 0.00 0.02 0.00 0.00 54.97 53.30 2p47 s GLU 6 Cb 0.00 -1.86 0.07 0.00 0.10 0.00 0.00 34.13 32.45 2p47 s GLU 6 CO 0.00 0.42 0.81 -1.54 0.02 0.00 0.00 175.26 174.97 2p47 s SER 7 N -2.38 -0.36 0.00 -0.19 1.04 -0.32 -4.97 113.70 106.52 2p47 s SER 7 Ca 0.17 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2p47 s SER 7 Cb -0.09 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2p47 s SER 7 CO 0.08 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2p47 n GLY 8 N -0.36 1.00 1.04 7.32 0.00 -1.26 0.08 105.19 113.01 2p47 n GLY 8 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 2p47 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p47 n GLY 9 N -0.66 -0.38 0.00 -0.02 0.00 -1.26 -4.10 105.19 98.76 2p47 n GLY 9 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2p47 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p47 n GLY 10 N 2.78 0.65 3.85 -0.02 0.00 -0.26 -4.99 105.19 107.22 2p47 n GLY 10 Ca 0.04 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 2p47 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p47 s LEU 11 N 0.00 4.40 -0.25 0.99 2.01 -1.26 -1.73 118.68 122.84 2p47 s LEU 11 Ca 0.00 0.90 -0.22 0.00 0.01 0.00 0.00 54.13 54.81 2p47 s LEU 11 Cb 0.00 -2.83 0.07 0.00 0.01 0.00 0.00 46.19 43.43 2p47 s LEU 11 CO 0.00 0.23 0.67 0.54 1.01 0.00 0.00 176.35 178.80 2p47 s VAL 12 N -1.26 -0.00 0.72 -1.59 0.11 -0.91 -4.96 120.40 112.50 2p47 s VAL 12 Ca 0.29 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.21 2p47 s VAL 12 Cb -0.15 -0.93 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2p47 s VAL 12 CO 0.16 0.00 1.12 -1.10 -3.33 0.00 0.00 175.10 171.95 2p47 s GLN 13 N 0.48 2.44 0.52 1.54 1.11 -1.26 -2.94 119.66 121.54 2p47 s GLN 13 Ca -0.01 1.37 -0.22 0.00 0.01 0.00 0.00 55.36 56.51 2p47 s GLN 13 Cb -0.05 -1.91 -0.06 0.00 -1.01 0.00 0.00 33.01 29.98 2p47 s GLN 13 CO -0.01 -1.53 1.24 0.00 0.01 0.00 0.00 175.29 174.99 2p47 n ALA 14 N -2.92 1.15 -0.92 6.09 0.00 0.06 -0.64 120.51 123.32 2p47 n ALA 14 Ca 0.10 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2p47 n ALA 14 Cb 0.52 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2p47 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p47 n GLY 15 N 0.90 0.31 3.98 0.00 0.00 0.19 -4.88 105.19 105.69 2p47 n GLY 15 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 2p47 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2p47 s GLY 16 N -2.00 1.76 0.07 -0.02 0.00 0.19 -4.17 107.32 103.15 2p47 s GLY 16 Ca 0.00 -1.55 0.08 0.00 0.00 0.00 0.00 44.72 43.25 2p47 s GLY 16 CO 0.00 -1.02 -0.22 -0.45 0.00 0.00 0.00 173.10 171.42 2p47 s SER 17 N -4.69 2.61 0.06 1.64 0.15 -1.26 -1.93 113.70 110.28 2p47 s SER 17 Ca 0.65 -0.60 -0.11 0.00 0.70 0.00 0.00 55.95 56.59 2p47 s SER 17 Cb -0.06 -0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.07 2p47 s SER 17 CO 0.44 0.14 0.25 -0.76 1.20 0.00 0.00 173.24 174.51 2p47 s LEU 18 N -1.48 1.11 -0.20 3.45 1.43 -1.26 -5.01 118.68 116.72 2p47 s LEU 18 Ca 0.08 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2p47 s LEU 18 Cb -0.09 1.20 0.05 0.00 0.03 0.00 0.00 46.19 47.38 2p47 s LEU 18 CO 0.03 -0.64 -0.03 -0.60 0.23 0.00 0.00 176.35 175.34 2p47 s ARG 19 N -2.92 1.32 -0.10 1.70 3.52 -1.26 -4.51 118.95 116.70 2p47 s ARG 19 Ca -0.02 -0.70 -0.23 0.00 -0.13 0.00 0.00 55.73 54.65 2p47 s ARG 19 Cb 0.00 -2.29 -0.03 0.00 -1.56 0.00 0.00 34.95 31.07 2p47 s ARG 19 CO -0.06 -0.56 0.68 -0.51 -0.81 0.00 0.00 175.30 174.04 2p47 s LEU 20 N 1.59 4.27 -0.10 -0.88 1.43 -0.55 -4.15 118.68 120.30 2p47 s LEU 20 Ca -0.03 1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 54.14 2p47 s LEU 20 Cb -0.17 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 2p47 s LEU 20 CO -0.07 -0.15 -0.02 -0.44 0.23 0.00 0.00 176.35 175.89 2p47 s SER 21 N 0.88 5.01 -0.01 2.29 0.01 0.11 -0.87 113.70 121.11 2p47 s SER 21 Ca 0.35 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2p47 s SER 21 Cb -0.17 -1.47 0.01 0.00 0.21 0.00 0.00 66.02 64.60 2p47 s SER 21 CO 0.15 0.33 -0.00 0.00 0.41 0.00 0.00 173.24 174.13 2p47 s ALA 23 N 0.53 0.55 -0.32 0.00 0.00 -0.39 0.13 121.76 122.26 2p47 s ALA 23 Ca -0.05 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 2p47 s ALA 23 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 2p47 s ALA 23 CO -0.01 0.09 0.19 0.00 0.00 0.00 0.00 175.76 176.03 2p47 s ALA 24 N 0.15 3.39 0.13 0.00 0.00 -0.09 -1.34 121.76 124.00 2p47 s ALA 24 Ca -0.02 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 50.62 2p47 s ALA 24 Cb -0.06 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 2p47 s ALA 24 CO -0.00 -0.91 0.11 -1.54 0.00 0.00 0.00 175.76 173.42 2p47 s SER 25 N 1.67 5.53 0.00 0.00 1.04 -0.48 -4.61 113.70 116.85 2p47 s SER 25 Ca 0.05 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2p47 s SER 25 Cb -0.17 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.48 2p47 s SER 25 CO 0.08 0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.03 2p47 n GLY 26 N 0.01 0.72 3.60 7.32 0.00 -1.26 -1.60 105.19 113.98 2p47 n GLY 26 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 2p47 n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p47 s TYR 27 N -2.43 3.23 -0.67 1.61 5.04 -1.26 -4.54 117.35 118.33 2p47 s TYR 27 Ca 0.00 0.17 0.19 0.00 -2.44 0.00 0.00 57.07 54.99 2p47 s TYR 27 Cb 0.00 -2.40 0.82 0.00 0.35 0.00 0.00 41.96 40.73 2p47 s TYR 27 CO 0.00 -0.16 1.59 0.00 -1.34 0.00 0.00 175.55 175.64 2p47 n ALA 28 N 5.05 1.59 -3.00 3.97 0.00 -1.26 -4.78 120.51 122.08 2p47 n ALA 28 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2p47 n ALA 28 Cb 0.52 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2p47 n ALA 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2p47 n TYR 29 N -1.94 0.00 -3.82 0.00 4.01 -1.26 -5.15 117.16 109.00 2p47 n TYR 29 Ca 0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 2p47 n TYR 29 Cb 0.18 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.05 2p47 n TYR 29 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2p47 s THR 30 N 1.48 0.83 0.05 -0.72 2.01 -1.26 -4.87 115.64 113.17 2p47 s THR 30 Ca 0.00 -0.53 -0.31 0.00 0.31 0.00 0.00 61.69 61.16 2p47 s THR 30 Cb 0.00 -1.12 -0.10 0.00 0.01 0.00 0.00 72.50 71.29 2p47 s THR 30 CO 0.00 0.02 1.91 -1.22 -0.69 0.00 0.00 174.62 174.64 2p47 n TYR 31 N 4.96 2.52 -0.16 4.92 4.01 -1.26 -4.87 117.16 127.28 2p47 n TYR 31 Ca -0.10 -0.24 -0.09 0.00 -0.16 0.00 0.00 57.90 57.31 2p47 n TYR 31 Cb 0.48 -2.76 0.00 0.00 -0.31 0.00 0.00 39.34 36.75 2p47 n TYR 31 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 2p47 h ILE 32 N 5.25 1.22 -1.66 -0.72 2.04 -1.94 -3.41 117.51 118.28 2p47 h ILE 32 Ca -0.48 -0.71 -0.62 0.00 1.00 0.00 0.00 64.86 64.04 2p47 h ILE 32 Cb 1.24 0.82 -0.13 0.00 -0.74 0.00 0.00 36.82 38.02 2p47 h ILE 32 CO 0.94 0.26 -0.59 -0.31 0.00 0.00 0.00 178.15 178.45 2p47 s TYR 33 N -5.44 2.53 -5.00 1.37 2.02 -1.26 0.41 117.35 111.97 2p47 s TYR 33 Ca -0.13 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 55.92 2p47 s TYR 33 Cb 0.11 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 2p47 s TYR 33 CO 0.77 0.43 0.00 0.41 -1.57 0.00 0.00 175.55 175.59 2p47 n GLY 35 N -0.99 -2.41 3.34 0.71 0.00 -0.54 -0.92 105.19 104.38 2p47 n GLY 35 Ca -0.05 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 2p47 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2p47 s TRP 36 N -2.06 2.57 0.41 1.61 0.52 0.88 -1.52 118.94 121.34 2p47 s TRP 36 Ca 0.00 -0.55 0.06 0.00 0.02 0.00 0.00 56.10 55.63 2p47 s TRP 36 Cb 0.00 -1.65 -0.07 0.00 -1.15 0.00 0.00 33.47 30.60 2p47 s TRP 36 CO 0.00 -0.10 0.02 -0.06 0.02 0.00 0.00 176.95 176.82 2p47 s PHE 37 N -0.24 2.38 -0.05 -1.98 0.40 0.10 -1.15 117.98 117.43 2p47 s PHE 37 Ca -0.00 -0.74 -0.16 0.00 -0.60 0.00 0.00 56.93 55.42 2p47 s PHE 37 Cb -0.13 -1.69 0.03 0.00 0.51 0.00 0.00 43.02 41.74 2p47 s PHE 37 CO 0.03 0.36 0.37 -0.98 0.70 0.00 0.00 175.22 175.70 2p47 s ARG 38 N -3.75 0.66 -0.01 0.44 1.70 -0.06 -0.19 118.95 117.74 2p47 s ARG 38 Ca 0.32 0.03 0.05 0.00 -0.47 0.00 0.00 55.73 55.66 2p47 s ARG 38 Cb 0.09 0.30 -0.01 0.00 -0.57 0.00 0.00 34.95 34.76 2p47 s ARG 38 CO 0.16 -0.17 -0.16 -1.14 -1.08 0.00 0.00 175.30 172.92 2p47 s GLN 39 N -0.96 1.29 0.35 3.89 0.74 0.11 -1.61 119.66 123.48 2p47 s GLN 39 Ca -0.10 -0.55 0.07 0.00 0.05 0.00 0.00 55.36 54.83 2p47 s GLN 39 Cb -0.04 -1.24 -0.02 0.00 1.10 0.00 0.00 33.01 32.81 2p47 s GLN 39 CO 0.04 0.32 0.34 0.00 -0.55 0.00 0.00 175.29 175.44 2p47 s ALA 40 N -0.32 3.94 -0.19 1.58 0.00 -1.26 -0.70 121.76 124.81 2p47 s ALA 40 Ca 0.05 -1.66 -0.37 0.00 0.00 0.00 0.00 51.96 49.98 2p47 s ALA 40 Cb -0.06 -1.23 -0.13 0.00 0.00 0.00 0.00 23.12 21.70 2p47 s ALA 40 CO -0.00 -0.04 1.85 -2.30 0.00 0.00 0.00 175.76 175.27 2p47 n PRO 41 N -1.45 1.68 0.00 0.00 -0.02 -1.26 -3.11 135.00 130.85 2p47 n PRO 41 Ca -0.01 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2p47 n PRO 41 Cb 0.60 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2p47 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p47 n GLY 42 N 4.48 1.82 3.61 -1.23 0.00 -1.26 -5.00 105.19 107.61 2p47 n GLY 42 Ca 0.26 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2p47 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2p47 n LYS 43 N 0.00 1.22 -1.87 1.61 4.76 -1.18 -4.96 118.16 117.74 2p47 n LYS 43 Ca 0.00 0.45 -0.32 0.00 -2.87 0.00 0.00 58.31 55.57 2p47 n LYS 43 Cb 0.00 -2.07 0.02 0.00 -1.84 0.00 0.00 35.03 31.15 2p47 n LYS 43 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2p47 s GLU 44 N -2.20 3.21 0.29 1.97 8.01 -1.26 -4.28 118.70 124.44 2p47 s GLU 44 Ca 0.66 1.07 -0.29 0.00 0.01 0.00 0.00 54.97 56.42 2p47 s GLU 44 Cb -0.51 -2.02 -0.10 0.00 -4.31 0.00 0.00 34.13 27.18 2p47 s GLU 44 CO 0.54 -0.89 1.37 0.50 0.01 0.00 0.00 175.26 176.80 2p47 s ARG 45 N -4.51 4.31 0.05 1.61 3.52 -1.26 -4.68 118.95 117.99 2p47 s ARG 45 Ca 0.61 2.26 -0.01 0.00 -0.13 0.00 0.00 55.73 58.46 2p47 s ARG 45 Cb -0.15 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 2p47 s ARG 45 CO 0.44 -0.31 -0.03 -1.83 -0.81 0.00 0.00 175.30 172.76 2p47 s GLU 46 N -1.12 0.55 0.40 5.12 -1.05 -0.63 -4.97 118.70 117.00 2p47 s GLU 46 Ca 0.54 -1.07 -0.21 0.00 -0.15 0.00 0.00 54.97 54.08 2p47 s GLU 46 Cb -0.41 0.16 -0.11 0.00 -0.44 0.00 0.00 34.13 33.33 2p47 s GLU 46 CO 0.49 -0.09 0.92 0.20 0.95 0.00 0.00 175.26 177.73 2p47 s GLY 47 N -2.55 2.43 0.04 -3.83 0.00 -1.26 -0.88 107.32 101.26 2p47 s GLY 47 Ca 0.01 0.37 -0.00 0.00 0.00 0.00 0.00 44.72 45.10 2p47 s GLY 47 CO -0.07 0.66 -0.00 -0.62 0.00 0.00 0.00 173.10 173.06 2p47 n VAL 48 N -0.47 0.44 -3.77 1.40 0.31 -0.30 -4.62 118.33 111.31 2p47 n VAL 48 Ca 0.06 0.15 -0.11 0.00 -0.01 0.00 0.00 64.34 64.42 2p47 n VAL 48 Cb 0.53 -1.21 -0.08 0.00 -0.91 0.00 0.00 33.84 32.18 2p47 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2p47 s ALA 49 N -2.00 -0.61 0.30 3.52 0.00 -1.03 -1.16 121.76 120.78 2p47 s ALA 49 Ca -0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 2p47 s ALA 49 Cb 0.00 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.44 2p47 s ALA 49 CO 0.00 -0.40 0.57 0.00 0.00 0.00 0.00 175.76 175.93 2p47 s ALA 50 N -2.55 -0.24 0.35 0.00 0.00 -0.74 -0.08 121.76 118.49 2p47 s ALA 50 Ca -0.05 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.03 2p47 s ALA 50 Cb -0.01 0.98 -0.06 0.00 0.00 0.00 0.00 23.12 24.04 2p47 s ALA 50 CO -0.03 -0.89 0.07 0.16 0.00 0.00 0.00 175.76 175.06 2p47 s ASP 52 N -3.06 2.52 0.46 0.00 -4.77 -0.56 -2.14 116.67 109.12 2p47 s ASP 52 Ca 0.21 -1.44 0.25 0.00 -3.30 0.00 0.00 52.55 48.28 2p47 s ASP 52 Cb -0.02 0.03 0.99 0.00 -1.09 0.00 0.00 42.92 42.82 2p47 s ASP 52 CO 0.12 -0.67 1.85 0.77 0.70 0.00 0.00 175.17 177.94 2p47 h SER 53 N 2.03 0.00 0.76 2.11 4.64 -0.28 -2.54 113.55 120.27 2p47 h SER 53 Ca -0.40 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.82 2p47 h SER 53 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 2p47 h SER 53 CO 0.68 0.19 -0.49 1.23 -0.87 0.00 0.00 176.83 177.57 2p47 h GLY 54 N 2.03 0.00 0.00 -0.77 0.00 -1.96 -2.74 103.07 99.62 2p47 h GLY 54 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2p47 h GLY 54 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 2p47 n GLY 55 N 0.28 0.95 0.00 4.60 0.00 -0.96 -4.89 105.19 105.16 2p47 n GLY 55 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2p47 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p47 n GLY 56 N -0.61 2.16 2.25 -0.02 0.00 -1.26 -4.72 105.19 103.01 2p47 n GLY 56 Ca 0.00 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 2p47 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p47 n GLY 57 N 5.00 0.23 3.73 -0.02 0.00 -1.26 -1.49 105.19 111.38 2p47 n GLY 57 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2p47 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p47 s THR 58 N -2.42 3.43 -0.07 2.61 2.01 -1.26 -4.46 115.64 115.47 2p47 s THR 58 Ca 0.00 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 63.06 2p47 s THR 58 Cb 0.00 -3.70 0.04 0.00 0.01 0.00 0.00 72.50 68.85 2p47 s THR 58 CO 0.00 0.12 0.16 -0.76 -0.69 0.00 0.00 174.62 173.46 2p47 s LEU 59 N 0.52 0.64 0.24 4.42 1.43 -0.91 -5.01 118.68 120.01 2p47 s LEU 59 Ca 0.59 0.34 0.10 0.00 -1.03 0.00 0.00 54.13 54.14 2p47 s LEU 59 Cb -0.35 0.42 -0.04 0.00 0.03 0.00 0.00 46.19 46.25 2p47 s LEU 59 CO 0.34 -0.16 -0.10 -0.31 0.23 0.00 0.00 176.35 176.35 2p47 s TYR 60 N 1.23 2.54 0.44 0.29 2.02 -1.26 -1.78 117.35 120.82 2p47 s TYR 60 Ca -0.09 -0.26 -0.23 0.00 -0.37 0.00 0.00 57.07 56.12 2p47 s TYR 60 Cb -0.11 -1.16 -0.08 0.00 -0.40 0.00 0.00 41.96 40.20 2p47 s TYR 60 CO -0.06 0.61 1.10 0.00 -1.57 0.00 0.00 175.55 175.62 2p47 s ALA 61 N -2.15 3.00 0.63 3.71 0.00 -0.31 -4.90 121.76 121.75 2p47 s ALA 61 Ca 0.28 0.79 0.32 0.00 0.00 0.00 0.00 51.96 53.35 2p47 s ALA 61 Cb -0.07 -3.32 1.79 0.00 0.00 0.00 0.00 23.12 21.52 2p47 s ALA 61 CO 0.16 -0.42 2.07 -0.44 0.00 0.00 0.00 175.76 177.14 2p47 h ASP 62 N 2.16 0.00 0.49 0.00 3.32 -1.94 -2.07 116.42 118.38 2p47 h ASP 62 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2p47 h ASP 62 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2p47 h ASP 62 CO 0.61 0.00 -0.14 -1.54 -1.72 0.00 0.00 179.24 176.45 2p47 n SER 63 N -3.32 0.37 0.00 6.45 3.41 -1.26 -4.43 113.62 114.84 2p47 n SER 63 Ca 0.00 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 2p47 n SER 63 Cb 0.33 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2p47 n SER 63 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2p47 n VAL 64 N -1.13 0.00 -1.80 -3.33 0.24 -0.79 -5.03 118.33 106.49 2p47 n VAL 64 Ca 0.12 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.01 2p47 n VAL 64 Cb 0.29 1.82 -0.01 0.00 -1.47 0.00 0.00 33.84 34.48 2p47 n VAL 64 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2p47 s LYS 65 N 0.00 4.12 0.00 7.34 2.20 -1.15 -2.28 119.74 129.97 2p47 s LYS 65 Ca 0.00 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2p47 s LYS 65 Cb 0.00 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 2p47 s LYS 65 CO 0.00 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 2p47 n GLY 66 N 1.34 2.85 1.74 5.54 0.00 -1.26 -5.11 105.19 110.29 2p47 n GLY 66 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 2p47 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p47 n ARG 67 N -0.16 4.47 0.00 1.61 1.74 -0.97 -5.02 116.66 118.34 2p47 n ARG 67 Ca 0.00 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.01 2p47 n ARG 67 Cb 0.00 -2.14 0.00 0.00 -1.02 0.00 0.00 32.46 29.30 2p47 n ARG 67 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2p47 n THR 69 N 0.66 0.00 -2.46 0.55 -1.04 0.18 -1.37 114.28 110.80 2p47 n THR 69 Ca 0.27 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.95 2p47 n THR 69 Cb 1.10 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.57 2p47 n THR 69 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2p47 s ILE 70 N 0.00 4.25 0.13 12.58 2.07 -1.26 -2.21 121.20 136.76 2p47 s ILE 70 Ca 0.00 1.20 -0.18 0.00 -1.41 0.00 0.00 60.65 60.26 2p47 s ILE 70 Cb 0.00 -3.59 0.05 0.00 0.13 0.00 0.00 42.46 39.05 2p47 s ILE 70 CO 0.00 -0.50 0.46 -0.94 -1.91 0.00 0.00 174.94 172.06 2p47 s SER 71 N -2.63 -0.34 0.02 4.50 1.04 -0.87 -4.96 113.70 110.46 2p47 s SER 71 Ca 0.62 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2p47 s SER 71 Cb -0.12 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 2p47 s SER 71 CO 0.26 -0.87 -0.03 -0.13 0.98 0.00 0.00 173.24 173.45 2p47 s ARG 72 N -3.65 0.32 -0.03 4.02 0.52 -1.26 -1.07 118.95 117.81 2p47 s ARG 72 Ca 0.02 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.35 2p47 s ARG 72 Cb 0.01 0.04 -0.06 0.00 0.52 0.00 0.00 34.95 35.45 2p47 s ARG 72 CO -0.11 -0.03 1.67 -0.51 0.02 0.00 0.00 175.30 176.34 2p47 s ASP 73 N -1.35 6.65 0.17 0.23 1.01 -1.26 -4.94 116.67 117.17 2p47 s ASP 73 Ca -0.14 2.30 -0.34 0.00 0.71 0.00 0.00 52.55 55.09 2p47 s ASP 73 Cb -0.09 -2.54 -0.14 0.00 1.01 0.00 0.00 42.92 41.16 2p47 s ASP 73 CO -0.01 -0.92 1.51 0.29 0.21 0.00 0.00 175.17 176.25 2p47 n LYS 74 N 6.89 1.99 -0.60 8.23 5.02 -1.26 -1.35 118.16 137.08 2p47 n LYS 74 Ca 0.17 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 2p47 n LYS 74 Cb 0.42 -2.44 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 2p47 n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2p47 n GLY 75 N 3.01 0.87 3.71 0.72 0.00 -1.04 -4.99 105.19 107.47 2p47 n GLY 75 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2p47 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p47 s LYS 76 N -0.31 2.53 -1.04 1.61 1.02 -0.46 -4.89 119.74 118.19 2p47 s LYS 76 Ca 0.00 -1.23 -0.06 0.00 0.02 0.00 0.00 55.97 54.70 2p47 s LYS 76 Cb 0.00 -2.34 0.05 0.00 -0.52 0.00 0.00 37.83 35.02 2p47 s LYS 76 CO 0.00 0.40 2.65 0.09 -0.92 0.00 0.00 175.35 177.57 2p47 n ASN 77 N -0.83 7.53 -4.23 2.83 3.02 -1.26 -4.72 115.26 117.60 2p47 n ASN 77 Ca -0.07 -3.04 -0.20 0.00 -0.03 0.00 0.00 54.58 51.24 2p47 n ASN 77 Cb 0.58 -1.36 -0.12 0.00 -0.61 0.00 0.00 39.78 38.27 2p47 n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2p47 s THR 78 N -0.86 1.35 -0.13 3.41 -4.23 -1.26 -0.91 115.64 113.02 2p47 s THR 78 Ca 0.58 -1.51 -0.14 0.00 -1.18 0.00 0.00 61.69 59.44 2p47 s THR 78 Cb 0.25 -1.36 0.04 0.00 1.34 0.00 0.00 72.50 72.76 2p47 s THR 78 CO -0.12 -0.25 0.39 0.54 -0.54 0.00 0.00 174.62 174.64 2p47 s VAL 79 N -1.54 0.01 0.04 2.29 0.11 0.12 -4.09 120.40 117.34 2p47 s VAL 79 Ca 0.04 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.07 2p47 s VAL 79 Cb -0.08 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2p47 s VAL 79 CO 0.03 -0.03 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.33 2p47 s TYR 80 N -0.02 1.08 -0.30 1.54 2.02 -0.23 -0.60 117.35 120.85 2p47 s TYR 80 Ca -0.02 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 2p47 s TYR 80 Cb -0.03 -0.64 0.09 0.00 -0.40 0.00 0.00 41.96 40.98 2p47 s TYR 80 CO 0.01 0.02 0.06 -1.17 -1.57 0.00 0.00 175.55 172.90 2p47 s LEU 81 N -1.23 2.78 0.96 -1.29 2.96 -0.05 -2.05 118.68 120.76 2p47 s LEU 81 Ca -0.01 -1.64 -0.16 0.00 -0.22 0.00 0.00 54.13 52.10 2p47 s LEU 81 Cb -0.08 -1.06 0.20 0.00 0.50 0.00 0.00 46.19 45.74 2p47 s LEU 81 CO 0.01 -0.38 1.31 -1.58 -1.32 0.00 0.00 176.35 174.40 2p47 s GLN 82 N 1.44 0.65 0.00 1.98 2.00 -0.94 -1.48 119.66 123.32 2p47 s GLN 82 Ca 0.07 -0.38 0.00 0.00 -2.00 0.00 0.00 55.36 53.05 2p47 s GLN 82 Cb -0.18 -1.84 0.00 0.00 0.80 0.00 0.00 33.01 31.79 2p47 s GLN 82 CO -0.18 -2.41 0.00 -0.25 -0.50 0.00 0.00 175.29 171.95 2p47 n ASP 84 N -3.77 0.00 -4.13 6.67 8.00 -0.47 -0.65 116.55 122.20 2p47 n ASP 84 Ca 0.15 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.23 2p47 n ASP 84 Cb 0.59 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.68 2p47 n ASP 84 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2p47 n SER 85 N 0.00 -2.61 -4.74 -2.24 7.64 -1.21 -4.85 113.62 105.60 2p47 n SER 85 Ca 0.00 -1.26 -0.40 0.00 1.01 0.00 0.00 58.87 58.22 2p47 n SER 85 Cb 0.00 -1.52 -0.05 0.00 -1.01 0.00 0.00 64.21 61.62 2p47 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2p47 s LEU 86 N -7.38 4.54 0.32 -3.43 1.43 -0.81 -4.67 118.68 108.68 2p47 s LEU 86 Ca 0.35 1.73 0.07 0.00 -1.03 0.00 0.00 54.13 55.25 2p47 s LEU 86 Cb -0.20 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 2p47 s LEU 86 CO 0.95 0.05 0.29 -0.54 0.23 0.00 0.00 176.35 177.33 2p47 s LYS 87 N -0.47 2.78 0.55 1.70 1.02 -1.26 0.54 119.74 124.60 2p47 s LYS 87 Ca 0.42 -1.24 0.23 0.00 0.02 0.00 0.00 55.97 55.39 2p47 s LYS 87 Cb -0.23 -2.51 1.54 0.00 -0.52 0.00 0.00 37.83 36.11 2p47 s LYS 87 CO 0.28 0.14 2.20 -1.35 -0.92 0.00 0.00 175.35 175.70 2p47 h PRO 88 N 1.27 0.00 0.00 -1.68 0.11 -1.87 -2.49 132.00 127.34 2p47 h PRO 88 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2p47 h PRO 88 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2p47 h PRO 88 CO 0.58 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.43 2p47 h GLU 89 N 0.00 0.00 0.00 1.05 9.09 -1.95 -2.44 114.58 120.33 2p47 h GLU 89 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2p47 h GLU 89 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2p47 h GLU 89 CO 0.00 0.00 0.00 -0.44 0.05 0.00 0.00 179.01 178.62 2p47 h ASP 90 N 0.00 0.00 -1.72 3.06 3.32 -1.83 -3.45 116.42 115.80 2p47 h ASP 90 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 2p47 h ASP 90 Cb 0.49 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.06 2p47 h ASP 90 CO 0.00 0.00 1.08 0.41 -1.72 0.00 0.00 179.24 179.01 2p47 n THR 91 N -2.37 0.43 -3.58 0.35 -1.04 -0.92 -4.90 114.28 102.24 2p47 n THR 91 Ca 0.03 -0.11 0.02 0.00 -2.04 0.00 0.00 64.05 61.95 2p47 n THR 91 Cb 0.32 -1.62 -0.00 0.00 -1.82 0.00 0.00 70.33 67.21 2p47 n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2p47 s ALA 92 N 4.40 -2.40 -0.10 2.41 0.00 -0.74 -4.67 121.76 120.65 2p47 s ALA 92 Ca 0.97 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 53.69 2p47 s ALA 92 Cb -0.85 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2p47 s ALA 92 CO 0.57 -0.98 1.04 0.99 0.00 0.00 0.00 175.76 177.38 2p47 s THR 93 N -2.13 4.70 -0.22 0.00 2.01 0.13 -1.49 115.64 118.63 2p47 s THR 93 Ca 0.14 1.97 -0.11 0.00 0.31 0.00 0.00 61.69 64.00 2p47 s THR 93 Cb 0.06 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 2p47 s THR 93 CO -0.06 -0.01 0.18 -0.31 -0.69 0.00 0.00 174.62 173.74 2p47 s TYR 94 N 2.10 3.35 -0.13 4.92 1.51 0.21 -0.71 117.35 128.61 2p47 s TYR 94 Ca 0.49 0.31 -0.04 0.00 -1.01 0.00 0.00 57.07 56.82 2p47 s TYR 94 Cb -0.19 -2.27 -0.03 0.00 -0.11 0.00 0.00 41.96 39.36 2p47 s TYR 94 CO 0.18 0.13 0.01 0.71 -1.11 0.00 0.00 175.55 175.47 2p47 s TYR 95 N 0.85 3.15 -0.06 2.71 1.51 0.73 -0.44 117.35 125.81 2p47 s TYR 95 Ca 0.09 0.03 -0.19 0.00 -1.01 0.00 0.00 57.07 55.99 2p47 s TYR 95 Cb -0.13 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.77 2p47 s TYR 95 CO 0.03 0.26 0.53 0.00 -1.11 0.00 0.00 175.55 175.26 2p47 s ALA 97 N 0.12 0.73 0.01 0.00 0.00 -0.58 -1.03 121.76 121.01 2p47 s ALA 97 Ca 0.28 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2p47 s ALA 97 Cb -0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 2p47 s ALA 97 CO 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 175.76 175.93 2p47 s ALA 98 N -1.21 0.11 0.00 0.00 0.00 -0.48 -1.47 121.76 118.71 2p47 s ALA 98 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2p47 s ALA 98 Cb -0.09 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2p47 s ALA 98 CO 0.01 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.15 2p47 n GLY 99 N 2.60 0.87 0.00 0.00 0.00 -0.09 -3.07 105.19 105.50 2p47 n GLY 99 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2p47 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p47 n GLY 100 N -2.23 3.88 2.70 -0.02 0.00 -1.22 -4.62 105.19 103.68 2p47 n GLY 100 Ca 0.00 -1.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 2p47 n GLY 100 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p47 s TYR 101 N 3.07 0.20 0.00 1.61 5.04 -1.26 -4.34 117.35 121.67 2p47 s TYR 101 Ca 0.00 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.79 2p47 s TYR 101 Cb 0.00 -0.55 0.00 0.00 0.35 0.00 0.00 41.96 41.76 2p47 s TYR 101 CO 0.00 -0.22 0.00 0.39 -1.34 0.00 0.00 175.55 174.38 2p47 n GLU 102 N 5.23 0.00 -1.58 4.97 1.02 -1.26 -2.13 120.64 126.88 2p47 n GLU 102 Ca -0.05 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.74 2p47 n GLU 102 Cb 0.50 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.98 2p47 n GLU 102 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2p47 n LEU 103 N 0.00 7.28 -4.36 -4.62 4.77 -1.26 -4.86 117.00 113.96 2p47 n LEU 103 Ca 0.00 -4.50 -0.45 0.00 -0.03 0.00 0.00 56.01 51.03 2p47 n LEU 103 Cb 0.00 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.13 2p47 n LEU 103 CO 0.00 1.63 0.33 -0.13 -1.33 0.00 0.00 177.39 177.90 2p47 s ARG 104 N -3.86 3.03 0.16 3.23 0.52 -0.91 -4.78 118.95 116.34 2p47 s ARG 104 Ca 0.60 -1.43 -0.22 0.00 -0.52 0.00 0.00 55.73 54.16 2p47 s ARG 104 Cb 0.48 -4.28 0.04 0.00 0.52 0.00 0.00 34.95 31.72 2p47 s ARG 104 CO -0.11 -1.48 1.62 0.22 0.02 0.00 0.00 175.30 175.57 2p47 h ASP 105 N 9.10 -0.86 0.00 0.23 1.82 -1.91 -0.89 116.42 123.91 2p47 h ASP 105 Ca -0.30 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2p47 h ASP 105 Cb 1.09 0.41 0.00 0.00 0.68 0.00 0.00 39.33 41.51 2p47 h ASP 105 CO 1.08 -0.29 0.00 0.08 -1.61 0.00 0.00 179.24 178.51 2p47 h ARG 106 N -0.25 0.00 0.00 0.28 0.11 -1.98 -3.10 114.38 109.44 2p47 h ARG 106 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 2p47 h ARG 106 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 2p47 h ARG 106 CO -0.44 0.00 -0.62 0.25 0.10 0.00 0.00 179.97 179.26 2p47 n THR 107 N -2.29 0.11 -3.50 0.08 -2.24 -0.34 -4.84 114.28 101.25 2p47 n THR 107 Ca -0.01 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.29 2p47 n THR 107 Cb 0.04 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 2p47 n THR 107 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2p47 s TYR 108 N -3.07 3.58 -0.93 4.78 1.51 -1.18 -3.43 117.35 118.62 2p47 s TYR 108 Ca 0.09 0.80 0.08 0.00 -1.01 0.00 0.00 57.07 57.03 2p47 s TYR 108 Cb 0.16 -2.33 0.09 0.00 -0.11 0.00 0.00 41.96 39.77 2p47 s TYR 108 CO 0.73 0.42 0.82 0.41 -1.11 0.00 0.00 175.55 176.81 2p47 n GLY 109 N 2.66 -0.08 3.18 0.71 0.00 -1.24 -4.93 105.19 105.50 2p47 n GLY 109 Ca -0.12 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 2p47 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p47 s GLN 110 N -0.72 3.09 -0.03 1.61 -1.52 -1.17 -5.02 119.66 115.91 2p47 s GLN 110 Ca 0.10 -0.79 0.03 0.00 -1.95 0.00 0.00 55.36 52.76 2p47 s GLN 110 Cb 0.07 -2.62 -0.00 0.00 -0.22 0.00 0.00 33.01 30.23 2p47 s GLN 110 CO 0.10 -0.14 -0.13 -1.58 -0.25 0.00 0.00 175.29 173.30 2p47 s TRP 111 N 1.15 1.26 0.94 0.91 0.52 -1.26 -1.39 118.94 121.07 2p47 s TRP 111 Ca 0.01 -0.31 -0.14 0.00 0.02 0.00 0.00 56.10 55.67 2p47 s TRP 111 Cb -0.14 -0.86 0.16 0.00 -1.15 0.00 0.00 33.47 31.49 2p47 s TRP 111 CO -0.07 -0.10 1.22 0.20 0.02 0.00 0.00 176.95 178.21 2p47 s GLY 112 N 0.02 1.66 0.42 0.98 0.00 -0.19 -4.98 107.32 105.24 2p47 s GLY 112 Ca -0.01 -0.87 0.22 0.00 0.00 0.00 0.00 44.72 44.06 2p47 s GLY 112 CO 0.01 -0.21 1.82 1.46 0.00 0.00 0.00 173.10 176.17 2p47 h GLN 113 N -1.55 0.00 0.00 2.90 4.20 -1.95 -3.44 115.11 115.27 2p47 h GLN 113 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2p47 h GLN 113 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2p47 h GLN 113 CO 0.51 0.27 0.00 0.41 -0.67 0.00 0.00 178.83 179.35 2p47 n GLY 114 N 0.08 2.93 3.19 3.46 0.00 -1.26 -5.02 105.19 108.57 2p47 n GLY 114 Ca -0.00 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 2p47 n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p47 s THR 115 N -0.79 2.65 0.05 2.61 2.01 0.41 -4.89 115.64 117.69 2p47 s THR 115 Ca 0.00 -0.89 -0.31 0.00 0.31 0.00 0.00 61.69 60.81 2p47 s THR 115 Cb 0.00 -2.24 -0.06 0.00 0.01 0.00 0.00 72.50 70.21 2p47 s THR 115 CO 0.00 0.37 1.32 -1.58 -0.69 0.00 0.00 174.62 174.05 2p47 s GLN 116 N 1.34 4.34 -0.13 4.92 2.00 -1.26 -0.62 119.66 130.26 2p47 s GLN 116 Ca 0.03 1.92 0.03 0.00 -2.00 0.00 0.00 55.36 55.34 2p47 s GLN 116 Cb -0.15 -3.41 0.01 0.00 0.80 0.00 0.00 33.01 30.26 2p47 s GLN 116 CO -0.07 -0.43 -0.22 0.08 -0.50 0.00 0.00 175.29 174.15 2p47 s VAL 117 N 1.61 1.99 -0.12 1.34 1.01 -0.56 -1.10 120.40 124.58 2p47 s VAL 117 Ca 0.62 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2p47 s VAL 117 Cb -0.32 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.32 2p47 s VAL 117 CO 0.28 0.54 -0.14 -0.89 0.00 0.00 0.00 175.10 174.89 2p47 s THR 118 N 0.73 1.47 -0.52 3.92 2.01 -0.70 -1.80 115.64 120.75 2p47 s THR 118 Ca -0.10 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.32 2p47 s THR 118 Cb -0.16 -1.36 0.13 0.00 0.01 0.00 0.00 72.50 71.12 2p47 s THR 118 CO 0.00 0.44 0.28 -0.69 -0.69 0.00 0.00 174.62 173.96 2p47 s VAL 119 N 1.17 2.83 0.54 3.82 1.01 -1.26 -2.14 120.40 126.37 2p47 s VAL 119 Ca -0.03 -3.10 -0.21 0.00 0.00 0.00 0.00 61.98 58.64 2p47 s VAL 119 Cb -0.14 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2p47 s VAL 119 CO -0.04 -0.79 1.23 -0.94 0.00 0.00 0.00 175.10 174.55 2p47 s SER 120 N 0.12 5.49 0.00 3.32 1.04 -1.15 -3.89 113.70 118.63 2p47 s SER 120 Ca 0.16 2.45 0.28 0.00 0.48 0.00 0.00 55.95 59.32 2p47 s SER 120 Cb -0.24 -2.61 1.05 0.00 0.10 0.00 0.00 66.02 64.33 2p47 s SER 120 CO -0.02 -1.39 1.75 -1.54 0.98 0.00 0.00 173.24 173.02