#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3j n SER 2 N 0.00 -3.82 -4.57 6.12 2.88 -1.26 -4.84 113.62 108.14 2h3j n SER 2 Ca 0.00 0.89 -0.39 0.00 -1.33 0.00 0.00 58.87 58.03 2h3j n SER 2 Cb 0.00 -3.31 -0.03 0.00 -0.75 0.00 0.00 64.21 60.12 2h3j n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2h3j s ALA 3 N -0.34 2.23 -0.64 -1.46 0.00 -1.26 -4.91 121.76 115.38 2h3j s ALA 3 Ca -0.07 0.09 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 2h3j s ALA 3 Cb 0.00 -4.21 0.01 0.00 0.00 0.00 0.00 23.12 18.92 2h3j s ALA 3 CO 0.20 -3.61 1.54 -0.51 0.00 0.00 0.00 175.76 173.38 2h3j s LEU 4 N 9.61 3.27 -0.16 0.00 1.43 -1.26 -4.97 118.68 126.60 2h3j s LEU 4 Ca 0.88 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2h3j s LEU 4 Cb -0.21 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.36 2h3j s LEU 4 CO 0.28 -2.01 -0.11 0.00 0.23 0.00 0.00 176.35 174.74 2h3j s GLN 5 N 6.17 2.03 -0.34 1.70 -2.07 -1.26 -5.07 119.66 120.82 2h3j s GLN 5 Ca 0.52 -0.62 -0.27 0.00 -1.82 0.00 0.00 55.36 53.16 2h3j s GLN 5 Cb -0.11 -2.15 -0.05 0.00 -1.09 0.00 0.00 33.01 29.62 2h3j s GLN 5 CO 0.20 -0.33 2.16 -1.25 -1.32 0.00 0.00 175.29 174.75 2h3j s PRO 6 N 1.50 2.86 0.00 9.60 0.04 -1.24 -4.78 135.00 142.98 2h3j s PRO 6 Ca 0.02 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2h3j s PRO 6 Cb -0.14 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.00 2h3j s PRO 6 CO -0.09 -2.41 0.00 0.43 0.04 0.00 0.00 177.00 174.96 2h3j n SER 7 N 12.61 0.00 -4.91 6.66 7.64 0.54 -4.92 113.62 131.24 2h3j n SER 7 Ca 0.30 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.90 2h3j n SER 7 Cb 0.48 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 2h3j n SER 7 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2h3j s ARG 8 N 0.03 3.34 -0.16 1.43 3.00 -1.26 -4.83 118.95 120.50 2h3j s ARG 8 Ca 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 55.73 55.07 2h3j s ARG 8 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 34.95 31.98 2h3j s ARG 8 CO 0.00 0.54 0.04 -1.12 0.00 0.00 0.00 175.30 174.76 2h3j s SER 9 N -2.99 5.46 -0.11 0.23 0.01 -1.26 -0.47 113.70 114.57 2h3j s SER 9 Ca 0.34 0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.68 2h3j s SER 9 Cb -0.11 -1.87 -0.01 0.00 0.21 0.00 0.00 66.02 64.23 2h3j s SER 9 CO 0.27 0.21 -0.15 -0.31 0.41 0.00 0.00 173.24 173.67 2h3j s TYR 10 N 0.12 2.73 -0.00 2.43 2.02 0.12 -2.23 117.35 122.54 2h3j s TYR 10 Ca 0.04 -0.60 -0.03 0.00 -0.37 0.00 0.00 57.07 56.10 2h3j s TYR 10 Cb -0.13 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 2h3j s TYR 10 CO 0.01 -0.16 0.20 -0.98 -1.57 0.00 0.00 175.55 173.05 2h3j s ARG 11 N 0.10 3.46 -0.28 -0.62 1.70 0.12 -0.14 118.95 123.30 2h3j s ARG 11 Ca -0.07 -0.28 -0.17 0.00 -0.47 0.00 0.00 55.73 54.74 2h3j s ARG 11 Cb -0.15 -3.09 -0.03 0.00 -0.57 0.00 0.00 34.95 31.11 2h3j s ARG 11 CO 0.05 0.67 0.47 0.42 -1.08 0.00 0.00 175.30 175.83 2h3j s ILE 12 N -1.33 5.09 -0.25 4.99 1.01 0.67 -0.72 121.20 130.66 2h3j s ILE 12 Ca 0.28 0.71 0.23 0.00 0.00 0.00 0.00 60.65 61.86 2h3j s ILE 12 Cb -0.13 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 2h3j s ILE 12 CO 0.18 0.06 0.92 0.35 0.00 0.00 0.00 174.94 176.46 2h3j n THR 13 N 5.19 0.41 -0.69 2.92 -2.24 -0.45 -0.44 114.28 118.97 2h3j n THR 13 Ca -0.05 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2h3j n THR 13 Cb 0.50 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2h3j n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h3j n GLY 14 N 1.23 -0.56 3.53 3.38 0.00 -1.21 -4.74 105.19 106.82 2h3j n GLY 14 Ca -0.01 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 2h3j n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2h3j s TYR 15 N -3.82 2.57 0.46 1.61 1.51 -1.26 -0.16 117.35 118.26 2h3j s TYR 15 Ca 0.00 -0.25 -0.20 0.00 -1.01 0.00 0.00 57.07 55.61 2h3j s TYR 15 Cb 0.00 -1.29 -0.10 0.00 -0.11 0.00 0.00 41.96 40.46 2h3j s TYR 15 CO 0.00 0.47 0.98 -1.12 -1.11 0.00 0.00 175.55 174.77 2h3j s SER 16 N -2.57 6.74 0.00 2.29 0.01 0.26 -4.60 113.70 115.83 2h3j s SER 16 Ca 0.22 1.72 0.00 0.00 1.31 0.00 0.00 55.95 59.21 2h3j s SER 16 Cb -0.09 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2h3j s SER 16 CO 0.13 -0.50 0.49 -0.81 0.41 0.00 0.00 173.24 172.96 2h3j n PRO 17 N -0.88 0.52 -0.05 12.44 -0.04 -1.26 -2.08 135.00 143.66 2h3j n PRO 17 Ca 0.07 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 2h3j n PRO 17 Cb 0.54 -1.03 0.10 0.00 -0.04 0.00 0.00 33.50 33.06 2h3j n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h3j n ALA 18 N -0.41 2.43 -2.29 0.55 0.00 -1.26 -4.98 120.51 114.55 2h3j n ALA 18 Ca 0.00 -0.74 -0.37 0.00 0.00 0.00 0.00 53.44 52.34 2h3j n ALA 18 Cb 0.02 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 2h3j n ALA 18 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2h3j s ILE 19 N -1.31 4.78 0.19 0.00 2.07 -0.88 -5.06 121.20 120.98 2h3j s ILE 19 Ca 0.22 1.03 -0.05 0.00 -1.41 0.00 0.00 60.65 60.43 2h3j s ILE 19 Cb 0.15 -3.81 0.02 0.00 0.13 0.00 0.00 42.46 38.95 2h3j s ILE 19 CO 0.21 0.34 0.34 -0.24 -1.91 0.00 0.00 174.94 173.69 2h3j n SER 20 N 1.10 -0.99 0.00 4.50 2.88 -1.26 -5.05 113.62 114.80 2h3j n SER 20 Ca -0.07 -1.84 0.00 0.00 -1.33 0.00 0.00 58.87 55.63 2h3j n SER 20 Cb 0.51 1.70 0.00 0.00 -0.75 0.00 0.00 64.21 65.67 2h3j n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2h3j n ASN 21 N -1.46 -1.64 -1.37 -3.46 2.85 -1.26 -2.90 115.26 106.03 2h3j n ASN 21 Ca -0.03 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.42 2h3j n ASN 21 Cb 0.29 0.00 0.17 0.00 1.24 0.00 0.00 39.78 41.48 2h3j n ASN 21 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2h3j n GLY 22 N 0.00 2.63 0.26 8.20 0.00 -1.26 -4.31 105.19 110.71 2h3j n GLY 22 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 2h3j n GLY 22 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2h3j h TYR 23 N 1.49 0.93 -0.64 1.61 5.03 -1.96 -0.96 116.97 122.46 2h3j h TYR 23 Ca 0.12 -0.23 -0.07 0.00 2.58 0.00 0.00 58.73 61.13 2h3j h TYR 23 Cb 1.52 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 39.56 2h3j h TYR 23 CO 0.66 0.99 0.13 -0.09 -1.32 0.00 0.00 178.16 178.52 2h3j h ARG 24 N 0.68 1.03 -0.09 1.82 2.43 -1.77 -0.43 114.38 118.06 2h3j h ARG 24 Ca 0.08 -0.25 -0.11 0.00 -0.81 0.00 0.00 59.98 58.89 2h3j h ARG 24 Cb 0.81 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2h3j h ARG 24 CO 0.07 0.93 -0.46 1.96 -1.51 0.00 0.00 179.97 180.96 2h3j h GLN 25 N 0.97 0.21 -0.38 0.20 4.20 -1.78 0.30 115.11 118.83 2h3j h GLN 25 Ca 0.20 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2h3j h GLN 25 Cb 0.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2h3j h GLN 25 CO 0.01 0.63 0.04 -0.09 -0.67 0.00 0.00 178.83 178.75 2h3j h ARG 26 N 0.17 0.65 -0.46 1.46 9.65 -0.57 -1.25 114.38 124.02 2h3j h ARG 26 Ca 0.01 -0.19 -0.09 0.00 -1.10 0.00 0.00 59.98 58.62 2h3j h ARG 26 Cb 0.89 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.38 2h3j h ARG 26 CO 0.07 0.72 -0.06 -0.07 2.80 0.00 0.00 179.97 183.44 2h3j h LEU 27 N 0.48 0.85 -0.62 3.80 3.38 -0.72 -2.26 115.31 120.23 2h3j h LEU 27 Ca 0.11 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.81 2h3j h LEU 27 Cb 0.40 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 2h3j h LEU 27 CO 0.01 0.98 0.32 0.15 0.09 0.00 0.00 178.44 179.99 2h3j h PHE 28 N 0.70 0.58 -0.30 1.13 3.57 -0.32 0.28 116.94 122.57 2h3j h PHE 28 Ca 0.12 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2h3j h PHE 28 Cb 0.58 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2h3j h PHE 28 CO 0.04 0.26 0.11 0.77 -2.23 0.00 0.00 178.31 177.26 2h3j h SER 29 N 0.58 0.38 1.03 0.41 0.02 -1.00 -1.55 113.55 113.43 2h3j h SER 29 Ca 0.28 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2h3j h SER 29 Cb 0.21 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2h3j h SER 29 CO -0.20 0.36 -0.15 0.23 -1.14 0.00 0.00 176.83 175.93 2h3j n MET 30 N -4.41 0.10 -0.27 3.45 2.81 -0.27 -4.90 117.12 113.63 2h3j n MET 30 Ca 0.01 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2h3j n MET 30 Cb 0.14 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 2h3j n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2h3j n GLY 31 N 1.43 0.86 3.42 3.03 0.00 -0.19 -5.02 105.19 108.73 2h3j n GLY 31 Ca 0.06 -0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 2h3j n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h3j s LEU 32 N 0.00 5.49 0.09 0.99 1.43 0.81 -4.90 118.68 122.60 2h3j s LEU 32 Ca 0.00 -2.20 -0.07 0.00 -1.03 0.00 0.00 54.13 50.83 2h3j s LEU 32 Cb 0.00 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 2h3j s LEU 32 CO 0.00 -0.94 0.15 -1.48 0.23 0.00 0.00 176.35 174.31 2h3j s LEU 33 N 2.04 1.58 0.15 1.79 0.05 -1.26 -3.87 118.68 119.17 2h3j s LEU 33 Ca 0.29 -0.78 -0.33 0.00 0.05 0.00 0.00 54.13 53.36 2h3j s LEU 33 Cb -0.06 0.86 -0.12 0.00 -2.05 0.00 0.00 46.19 44.81 2h3j s LEU 33 CO -0.09 -0.73 1.72 -0.81 -0.55 0.00 0.00 176.35 175.89 2h3j n PRO 34 N -0.05 2.54 0.00 1.48 -0.04 -1.26 -2.11 135.00 135.56 2h3j n PRO 34 Ca -0.13 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 2h3j n PRO 34 Cb 0.62 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 2h3j n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h3j n GLY 35 N 3.89 1.67 3.95 0.55 0.00 0.42 -4.96 105.19 110.71 2h3j n GLY 35 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2h3j n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h3j n ALA 36 N -0.80 0.30 -3.40 4.61 0.00 -0.90 -4.88 120.51 115.43 2h3j n ALA 36 Ca 0.00 -2.00 -0.15 0.00 0.00 0.00 0.00 53.44 51.29 2h3j n ALA 36 Cb 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 2h3j n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3j s ALA 37 N -3.14 -1.31 -0.04 0.00 0.00 -1.26 -0.24 121.76 115.77 2h3j s ALA 37 Ca 0.67 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.73 2h3j s ALA 37 Cb -0.04 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.81 2h3j s ALA 37 CO 0.44 -0.30 -0.10 -0.51 0.00 0.00 0.00 175.76 175.30 2h3j s LEU 38 N -0.72 1.67 -0.22 0.00 1.43 0.80 -4.56 118.68 117.08 2h3j s LEU 38 Ca -0.08 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 2h3j s LEU 38 Cb -0.03 -0.66 -0.05 0.00 0.03 0.00 0.00 46.19 45.48 2h3j s LEU 38 CO 0.05 0.04 0.14 -0.60 0.23 0.00 0.00 176.35 176.22 2h3j s ARG 39 N 0.46 4.13 -0.03 1.70 3.52 -0.02 0.13 118.95 128.83 2h3j s ARG 39 Ca -0.09 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 54.97 2h3j s ARG 39 Cb -0.12 -3.48 -0.06 0.00 -1.56 0.00 0.00 34.95 29.73 2h3j s ARG 39 CO 0.02 0.18 1.66 0.54 -0.81 0.00 0.00 175.30 176.88 2h3j s VAL 40 N 0.72 3.50 -0.15 7.11 0.11 0.37 -0.17 120.40 131.88 2h3j s VAL 40 Ca 0.08 0.66 -0.12 0.00 -2.93 0.00 0.00 61.98 59.67 2h3j s VAL 40 Cb -0.12 -3.43 -0.05 0.00 -1.53 0.00 0.00 36.38 31.25 2h3j s VAL 40 CO 0.01 -0.05 -0.20 0.52 -3.33 0.00 0.00 175.10 172.05 2h3j n VAL 41 N 5.35 1.44 -3.56 2.04 0.31 0.18 -0.34 118.33 123.75 2h3j n VAL 41 Ca 0.17 0.18 -0.11 0.00 -0.01 0.00 0.00 64.34 64.57 2h3j n VAL 41 Cb 0.42 -2.36 -0.04 0.00 -0.91 0.00 0.00 33.84 30.96 2h3j n VAL 41 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2h3j s ARG 42 N -2.41 1.17 -0.04 5.55 0.52 -0.93 -3.69 118.95 119.13 2h3j s ARG 42 Ca -0.19 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 54.42 2h3j s ARG 42 Cb 0.03 0.52 0.00 0.00 0.52 0.00 0.00 34.95 36.02 2h3j s ARG 42 CO 0.29 -0.49 -0.12 0.42 0.02 0.00 0.00 175.30 175.42 2h3j s ILE 43 N -3.79 1.05 0.60 1.52 1.01 -1.26 -0.71 121.20 119.63 2h3j s ILE 43 Ca 0.03 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 2h3j s ILE 43 Cb 0.01 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 2h3j s ILE 43 CO -0.12 0.32 1.09 0.00 0.00 0.00 0.00 174.94 176.23 2h3j s ALA 44 N 0.18 2.64 0.12 9.38 0.00 -1.26 -4.93 121.76 127.89 2h3j s ALA 44 Ca -0.04 0.53 0.33 0.00 0.00 0.00 0.00 51.96 52.78 2h3j s ALA 44 Cb -0.10 -3.29 1.64 0.00 0.00 0.00 0.00 23.12 21.37 2h3j s ALA 44 CO 0.01 -0.95 1.99 -1.35 0.00 0.00 0.00 175.76 175.46 2h3j h PRO 45 N 0.47 0.00 -0.64 0.00 0.11 -2.00 -2.84 132.00 127.10 2h3j h PRO 45 Ca -0.47 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.76 2h3j h PRO 45 Cb 1.24 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.23 2h3j h PRO 45 CO 0.56 0.00 -0.18 1.25 -0.21 0.00 0.00 178.00 179.42 2h3j h LEU 46 N 0.00 -0.65 0.00 2.35 6.46 -2.02 -3.46 115.31 117.99 2h3j h LEU 46 Ca 0.00 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2h3j h LEU 46 Cb 0.16 0.42 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2h3j h LEU 46 CO 0.00 -0.22 0.00 0.61 -0.62 0.00 0.00 178.44 178.21 2h3j n GLY 47 N -1.44 2.46 3.25 3.75 0.00 -1.07 -5.09 105.19 107.05 2h3j n GLY 47 Ca 0.07 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.85 2h3j n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h3j s ASP 48 N 0.00 -0.34 0.16 1.61 -1.08 -1.26 -4.89 116.67 110.87 2h3j s ASP 48 Ca 0.00 0.39 0.01 0.00 -0.52 0.00 0.00 52.55 52.43 2h3j s ASP 48 Cb 0.00 1.35 0.01 0.00 -1.46 0.00 0.00 42.92 42.82 2h3j s ASP 48 CO 0.00 -0.06 0.05 -0.81 0.52 0.00 0.00 175.17 174.87 2h3j n PRO 49 N 4.95 1.47 -3.65 4.34 -0.04 -1.26 -4.74 135.00 136.08 2h3j n PRO 49 Ca -0.08 -1.07 -0.21 0.00 -0.04 0.00 0.00 63.50 62.11 2h3j n PRO 49 Cb 0.54 0.22 -0.17 0.00 -0.04 0.00 0.00 33.50 34.04 2h3j n PRO 49 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2h3j s ILE 50 N -1.23 -0.14 -0.30 0.52 1.01 0.03 -4.37 121.20 116.72 2h3j s ILE 50 Ca 0.04 0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.79 2h3j s ILE 50 Cb -0.00 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 2h3j s ILE 50 CO 0.02 0.05 0.35 -1.58 0.00 0.00 0.00 174.94 173.79 2h3j s GLN 51 N 2.19 3.85 0.18 2.79 0.74 0.11 -2.43 119.66 127.10 2h3j s GLN 51 Ca 0.04 -0.15 0.01 0.00 0.05 0.00 0.00 55.36 55.31 2h3j s GLN 51 Cb -0.13 -3.71 -0.05 0.00 1.10 0.00 0.00 33.01 30.22 2h3j s GLN 51 CO -0.05 -0.36 0.03 0.14 -0.55 0.00 0.00 175.29 174.50 2h3j s VAL 52 N 2.03 0.53 -0.17 1.34 -7.23 -0.70 0.48 120.40 116.69 2h3j s VAL 52 Ca 0.13 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.31 2h3j s VAL 52 Cb -0.16 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 2h3j s VAL 52 CO 0.11 -0.36 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.75 2h3j s GLU 53 N -3.97 3.41 0.12 4.82 2.12 0.76 -0.41 118.70 125.55 2h3j s GLU 53 Ca 0.27 -0.65 0.11 0.00 0.36 0.00 0.00 54.97 55.07 2h3j s GLU 53 Cb 0.07 -2.80 -0.14 0.00 0.26 0.00 0.00 34.13 31.52 2h3j s GLU 53 CO 0.06 0.06 1.16 0.00 -0.54 0.00 0.00 175.26 176.00 2h3j h THR 54 N 5.49 1.23 0.00 -1.70 1.03 -1.63 -0.01 112.91 117.32 2h3j h THR 54 Ca -0.33 -2.85 0.00 0.00 -0.01 0.00 0.00 66.41 63.22 2h3j h THR 54 Cb 1.19 2.58 0.00 0.00 -1.07 0.00 0.00 68.15 70.85 2h3j h THR 54 CO 0.59 0.70 0.00 -1.14 -0.01 0.00 0.00 175.52 175.66 2h3j n ARG 55 N -3.22 0.00 0.00 0.00 0.00 -1.26 -4.75 116.66 107.44 2h3j n ARG 55 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 2h3j n ARG 55 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.36 2h3j n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2h3j n GLN 56 N 0.00 0.57 -4.13 -0.14 10.64 -1.26 -5.10 117.38 117.96 2h3j n GLN 56 Ca 0.00 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.94 2h3j n GLN 56 Cb 0.00 -0.74 -0.05 0.00 -0.86 0.00 0.00 30.24 28.59 2h3j n GLN 56 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2h3j s THR 57 N -1.49 4.31 0.20 -0.39 -1.32 -1.26 -5.10 115.64 110.59 2h3j s THR 57 Ca 0.00 -1.40 0.04 0.00 -1.21 0.00 0.00 61.69 59.13 2h3j s THR 57 Cb 0.00 -3.30 -0.03 0.00 -1.51 0.00 0.00 72.50 67.66 2h3j s THR 57 CO 0.00 -0.29 0.27 -0.44 -2.21 0.00 0.00 174.62 171.95 2h3j s SER 58 N -3.64 6.07 0.16 8.08 0.01 -1.26 -1.95 113.70 121.18 2h3j s SER 58 Ca 0.32 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.62 2h3j s SER 58 Cb -0.08 -1.74 -0.04 0.00 0.21 0.00 0.00 66.02 64.37 2h3j s SER 58 CO 0.24 -0.00 -0.00 -0.76 0.41 0.00 0.00 173.24 173.12 2h3j s LEU 59 N -3.57 2.13 -0.02 2.44 1.43 0.45 -4.95 118.68 116.59 2h3j s LEU 59 Ca 0.33 -1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.28 2h3j s LEU 59 Cb -0.10 -0.01 0.02 0.00 0.03 0.00 0.00 46.19 46.13 2h3j s LEU 59 CO 0.27 -0.57 0.04 0.00 0.23 0.00 0.00 176.35 176.32 2h3j s ALA 60 N -3.71 -0.03 0.38 4.21 0.00 -1.24 -1.72 121.76 119.66 2h3j s ALA 60 Ca 0.22 0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 2h3j s ALA 60 Cb 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.08 2h3j s ALA 60 CO 0.02 -0.06 0.78 -0.48 0.00 0.00 0.00 175.76 176.02 2h3j s LEU 61 N 0.50 0.04 0.40 0.00 2.34 -1.02 -4.92 118.68 116.03 2h3j s LEU 61 Ca -0.04 -1.15 0.08 0.00 0.06 0.00 0.00 54.13 53.07 2h3j s LEU 61 Cb -0.06 2.79 -0.03 0.00 -0.56 0.00 0.00 46.19 48.33 2h3j s LEU 61 CO -0.02 -1.67 0.29 -0.13 -1.06 0.00 0.00 176.35 173.76 2h3j s ARG 62 N -2.37 2.44 0.31 1.48 1.81 -1.26 -0.79 118.95 120.56 2h3j s ARG 62 Ca 0.16 -1.61 -0.01 0.00 -1.72 0.00 0.00 55.73 52.55 2h3j s ARG 62 Cb -0.05 -2.24 0.47 0.00 -0.45 0.00 0.00 34.95 32.68 2h3j s ARG 62 CO 0.12 -0.12 1.95 0.07 -0.68 0.00 0.00 175.30 176.64 2h3j h ARG 63 N 1.22 0.98 -0.35 3.54 0.11 -1.93 -1.95 114.38 116.00 2h3j h ARG 63 Ca -0.42 -0.09 0.01 0.00 0.10 0.00 0.00 59.98 59.58 2h3j h ARG 63 Cb 1.26 -0.21 -0.02 0.00 1.11 0.00 0.00 29.97 32.11 2h3j h ARG 63 CO 0.62 0.69 0.23 -0.22 0.10 0.00 0.00 179.97 181.39 2h3j h LYS 64 N 1.00 0.45 -0.42 0.08 3.64 -1.97 0.35 116.57 119.69 2h3j h LYS 64 Ca 0.26 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 2h3j h LYS 64 Cb -0.03 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2h3j h LYS 64 CO -0.05 0.30 -0.12 0.22 -2.27 0.00 0.00 179.45 177.54 2h3j h ASP 65 N 0.47 0.75 -0.18 4.20 3.58 -1.83 -2.26 116.42 121.15 2h3j h ASP 65 Ca 0.13 -0.23 -0.18 0.00 0.42 0.00 0.00 57.03 57.18 2h3j h ASP 65 Cb -0.04 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.80 2h3j h ASP 65 CO -0.04 0.89 -0.56 0.25 -2.88 0.00 0.00 179.24 176.90 2h3j h LEU 66 N 0.69 0.86 -1.81 2.28 5.85 -1.10 -3.22 115.31 118.87 2h3j h LEU 66 Ca 0.12 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2h3j h LEU 66 Cb 0.59 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2h3j h LEU 66 CO 0.04 1.24 -0.07 0.00 -0.34 0.00 0.00 178.44 179.31 2h3j h ALA 67 N 0.77 1.08 0.00 1.25 0.00 0.24 -0.20 119.26 122.41 2h3j h ALA 67 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2h3j h ALA 67 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2h3j h ALA 67 CO 0.12 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.73 2h3j n LEU 68 N -3.29 0.46 -4.83 0.00 4.77 -0.90 -4.60 117.00 108.61 2h3j n LEU 68 Ca -0.01 0.55 -0.37 0.00 -0.03 0.00 0.00 56.01 56.15 2h3j n LEU 68 Cb 0.26 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 2h3j n LEU 68 CO 0.28 -0.13 -0.05 -0.76 -1.33 0.00 0.00 177.39 175.40 2h3j s LEU 69 N -3.87 4.39 -0.37 2.23 1.43 -0.09 -0.58 118.68 121.82 2h3j s LEU 69 Ca 0.12 0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 53.63 2h3j s LEU 69 Cb 0.15 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 44.08 2h3j s LEU 69 CO 0.55 0.32 0.75 -0.89 0.23 0.00 0.00 176.35 177.31 2h3j s THR 70 N -0.76 4.76 -0.08 5.49 2.01 0.77 -4.63 115.64 123.20 2h3j s THR 70 Ca 0.18 0.75 0.03 0.00 0.31 0.00 0.00 61.69 62.96 2h3j s THR 70 Cb -0.14 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.17 2h3j s THR 70 CO 0.07 -0.44 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.61 2h3j s LEU 71 N 3.03 2.42 -0.02 4.42 1.43 -1.26 -1.34 118.68 127.35 2h3j s LEU 71 Ca 0.29 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2h3j s LEU 71 Cb -0.13 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 2h3j s LEU 71 CO 0.17 0.23 -0.19 0.68 0.23 0.00 0.00 176.35 177.48 2h3j s VAL 72 N -0.07 1.48 0.98 -1.59 -7.23 0.10 -4.96 120.40 109.11 2h3j s VAL 72 Ca -0.04 -0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 59.22 2h3j s VAL 72 Cb -0.14 -1.24 0.18 0.00 0.56 0.00 0.00 36.38 35.73 2h3j s VAL 72 CO 0.04 0.42 1.09 -2.16 -0.31 0.00 0.00 175.10 174.18 2h3j s PRO 73 N -0.34 0.57 0.50 4.82 0.04 -1.26 0.14 135.00 139.48 2h3j s PRO 73 Ca 0.05 1.00 0.26 0.00 0.04 0.00 0.00 61.00 62.35 2h3j s PRO 73 Cb -0.08 -1.72 1.34 0.00 0.04 0.00 0.00 34.50 34.09 2h3j s PRO 73 CO -0.00 -2.76 1.90 -0.07 0.04 0.00 0.00 177.00 176.10 2h3j h LEU 74 N -1.94 0.13 -0.39 -3.56 3.38 -1.82 -3.43 115.31 107.68 2h3j h LEU 74 Ca -0.51 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2h3j h LEU 74 Cb 1.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2h3j h LEU 74 CO 0.50 0.05 0.00 -0.67 0.09 0.00 0.00 178.44 178.41