#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3j s SER 2 N 0.00 5.97 -0.42 7.83 0.01 -1.26 -4.74 113.70 121.10 2h3j s SER 2 Ca 0.00 -1.03 0.04 0.00 1.31 0.00 0.00 55.95 56.27 2h3j s SER 2 Cb 0.00 -2.56 0.46 0.00 0.21 0.00 0.00 66.02 64.13 2h3j s SER 2 CO 0.00 -1.98 1.49 0.00 0.41 0.00 0.00 173.24 173.16 2h3j n ALA 3 N 10.78 5.40 -2.82 1.44 0.00 -1.26 -5.03 120.51 129.02 2h3j n ALA 3 Ca 0.32 -3.63 -0.36 0.00 0.00 0.00 0.00 53.44 49.78 2h3j n ALA 3 Cb 0.50 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 19.04 2h3j n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h3j s LEU 4 N -3.64 4.12 -0.35 0.00 1.43 -1.26 -4.86 118.68 114.12 2h3j s LEU 4 Ca 0.55 0.33 0.05 0.00 -1.03 0.00 0.00 54.13 54.04 2h3j s LEU 4 Cb 0.44 -2.09 0.17 0.00 0.03 0.00 0.00 46.19 44.75 2h3j s LEU 4 CO 0.02 0.37 0.51 -1.58 0.23 0.00 0.00 176.35 175.90 2h3j s GLN 5 N -1.18 0.64 0.34 1.70 0.74 0.03 -5.05 119.66 116.89 2h3j s GLN 5 Ca 0.17 -0.20 -0.29 0.00 0.05 0.00 0.00 55.36 55.10 2h3j s GLN 5 Cb -0.12 -0.18 -0.11 0.00 1.10 0.00 0.00 33.01 33.71 2h3j s GLN 5 CO 0.06 -1.13 1.42 -2.14 -0.55 0.00 0.00 175.29 172.95 2h3j s PRO 6 N 2.06 4.22 0.00 1.67 0.02 -1.25 -4.58 135.00 137.14 2h3j s PRO 6 Ca 0.14 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.57 2h3j s PRO 6 Cb -0.10 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.40 2h3j s PRO 6 CO -0.14 -0.40 0.00 0.45 -0.33 0.00 0.00 177.00 176.58 2h3j n SER 7 N 0.84 0.00 -4.53 2.53 2.88 -1.03 -5.02 113.62 109.30 2h3j n SER 7 Ca 0.01 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.28 2h3j n SER 7 Cb 0.40 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.76 2h3j n SER 7 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2h3j s ARG 8 N 0.00 1.93 0.03 -1.46 0.52 -1.26 -4.94 118.95 113.76 2h3j s ARG 8 Ca 0.00 -1.26 0.07 0.00 -0.52 0.00 0.00 55.73 54.03 2h3j s ARG 8 Cb 0.00 -2.12 -0.03 0.00 0.52 0.00 0.00 34.95 33.32 2h3j s ARG 8 CO 0.00 0.45 -0.20 -1.12 0.02 0.00 0.00 175.30 174.45 2h3j s SER 9 N -2.58 3.62 -0.01 0.23 0.01 -1.26 -0.86 113.70 112.85 2h3j s SER 9 Ca 0.22 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 57.09 2h3j s SER 9 Cb -0.09 -0.54 -0.01 0.00 0.21 0.00 0.00 66.02 65.58 2h3j s SER 9 CO 0.13 0.27 -0.14 -0.31 0.41 0.00 0.00 173.24 173.60 2h3j s TYR 10 N -0.85 1.29 0.38 2.43 2.02 0.52 -2.87 117.35 120.28 2h3j s TYR 10 Ca 0.13 -0.25 -0.16 0.00 -0.37 0.00 0.00 57.07 56.42 2h3j s TYR 10 Cb -0.10 -0.83 -0.09 0.00 -0.40 0.00 0.00 41.96 40.53 2h3j s TYR 10 CO 0.03 -0.02 0.82 1.03 -1.57 0.00 0.00 175.55 175.84 2h3j s ARG 11 N -0.34 4.04 -0.35 -0.62 1.81 0.16 -0.88 118.95 122.76 2h3j s ARG 11 Ca 0.06 0.79 -0.11 0.00 -1.72 0.00 0.00 55.73 54.75 2h3j s ARG 11 Cb -0.06 -2.33 0.01 0.00 -0.45 0.00 0.00 34.95 32.12 2h3j s ARG 11 CO -0.01 0.05 0.20 0.42 -0.68 0.00 0.00 175.30 175.29 2h3j s ILE 12 N -2.14 4.79 -0.87 1.52 1.01 -1.16 -0.74 121.20 123.62 2h3j s ILE 12 Ca 0.56 -0.56 0.24 0.00 0.00 0.00 0.00 60.65 60.90 2h3j s ILE 12 Cb -0.10 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 2h3j s ILE 12 CO 0.19 -0.09 1.34 0.35 0.00 0.00 0.00 174.94 176.72 2h3j n THR 13 N 5.03 0.10 -3.28 2.92 -2.24 -0.43 -0.30 114.28 116.09 2h3j n THR 13 Ca -0.13 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2h3j n THR 13 Cb 0.48 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.45 -0.50 3.52 3.38 0.00 -1.22 -4.87 105.19 106.95 2h3j n GLY 14 Ca 0.05 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.17 2.61 0.25 1.61 1.51 -1.26 -0.77 117.35 118.13 2h3j s TYR 15 Ca 0.00 -0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 55.54 2h3j s TYR 15 Cb 0.00 -1.37 -0.09 0.00 -0.11 0.00 0.00 41.96 40.39 2h3j s TYR 15 CO 0.00 0.41 1.18 -1.12 -1.11 0.00 0.00 175.55 174.91 2h3j s SER 16 N -2.20 7.10 0.82 2.29 0.01 0.72 -4.69 113.70 117.75 2h3j s SER 16 Ca 0.19 2.34 -0.15 0.00 1.31 0.00 0.00 55.95 59.65 2h3j s SER 16 Cb -0.11 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.51 2h3j s SER 16 CO 0.12 -0.31 0.58 -2.65 0.41 0.00 0.00 173.24 171.38 2h3j n PRO 17 N 1.68 0.08 -1.04 12.44 -0.02 -1.26 -2.94 135.00 143.93 2h3j n PRO 17 Ca 0.01 0.08 -0.02 0.00 -2.02 0.00 0.00 63.50 61.56 2h3j n PRO 17 Cb 0.44 -1.93 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 2h3j n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2h3j n ALA 18 N -2.95 -0.02 -2.02 3.55 0.00 -1.26 -5.02 120.51 112.79 2h3j n ALA 18 Ca 0.09 0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.21 2h3j n ALA 18 Cb 0.51 -0.52 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.88 4.51 0.29 0.00 2.07 -1.15 -5.04 121.20 119.99 2h3j s ILE 19 Ca 0.00 1.32 -0.29 0.00 -1.41 0.00 0.00 60.65 60.27 2h3j s ILE 19 Cb 0.00 -3.78 -0.10 0.00 0.13 0.00 0.00 42.46 38.71 2h3j s ILE 19 CO 0.00 0.02 1.09 -0.55 -1.91 0.00 0.00 174.94 173.59 2h3j s SER 20 N -1.88 7.25 0.07 4.50 0.15 -1.26 -4.95 113.70 117.57 2h3j s SER 20 Ca 0.50 2.25 -0.23 0.00 0.70 0.00 0.00 55.95 59.17 2h3j s SER 20 Cb -0.14 -2.62 -0.16 0.00 -1.71 0.00 0.00 66.02 61.39 2h3j s SER 20 CO 0.19 -0.16 1.64 -1.13 1.20 0.00 0.00 173.24 174.99 2h3j h ASN 21 N 3.75 0.02 0.10 5.45 -1.24 -1.99 0.44 115.58 122.12 2h3j h ASN 21 Ca -0.47 -0.10 -0.05 0.00 0.71 0.00 0.00 56.30 56.39 2h3j h ASN 21 Cb 1.21 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.25 2h3j h ASN 21 CO 0.67 0.12 -0.17 1.23 -1.29 0.00 0.00 177.43 177.98 2h3j h GLY 22 N -0.08 0.16 1.38 1.57 0.00 -1.98 -0.03 103.07 104.09 2h3j h GLY 22 Ca 0.01 -0.10 -0.19 0.00 0.00 0.00 0.00 47.33 47.05 2h3j h GLY 22 CO -0.00 0.09 -0.67 -1.82 0.00 0.00 0.00 176.54 174.14 2h3j h TYR 23 N 0.14 0.82 -0.72 5.60 3.20 -1.88 0.15 116.97 124.28 2h3j h TYR 23 Ca 0.03 -0.33 0.02 0.00 3.14 0.00 0.00 58.73 61.58 2h3j h TYR 23 Cb 0.39 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 2h3j h TYR 23 CO 0.00 1.12 0.46 -0.09 -1.64 0.00 0.00 178.16 178.01 2h3j h ARG 24 N 0.45 0.89 -0.57 1.82 2.43 -0.22 0.18 114.38 119.36 2h3j h ARG 24 Ca -0.02 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 2h3j h ARG 24 Cb 1.26 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 2h3j h ARG 24 CO 0.13 0.59 -0.01 1.96 -1.51 0.00 0.00 179.97 181.13 2h3j h GLN 25 N 0.92 1.00 -0.74 0.20 4.20 -0.73 0.61 115.11 120.57 2h3j h GLN 25 Ca 0.28 -0.31 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2h3j h GLN 25 Cb -0.03 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 2h3j h GLN 25 CO -0.09 0.99 0.27 -0.09 -0.67 0.00 0.00 178.83 179.24 2h3j h ARG 26 N 0.92 1.11 -0.30 1.46 9.65 -0.07 0.18 114.38 127.34 2h3j h ARG 26 Ca 0.16 -0.21 -0.05 0.00 -1.10 0.00 0.00 59.98 58.78 2h3j h ARG 26 Cb 0.55 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2h3j h ARG 26 CO 0.03 0.92 -0.02 -0.07 2.80 0.00 0.00 179.97 183.63 2h3j h LEU 27 N 1.08 0.53 -0.38 3.80 3.38 -0.32 -1.46 115.31 121.94 2h3j h LEU 27 Ca 0.24 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2h3j h LEU 27 Cb 0.25 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2h3j h LEU 27 CO -0.02 0.73 0.10 0.15 0.09 0.00 0.00 178.44 179.50 2h3j h PHE 28 N 0.32 0.18 -0.50 1.13 3.04 -0.46 0.23 116.94 120.87 2h3j h PHE 28 Ca 0.08 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 2h3j h PHE 28 Cb 0.47 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.93 2h3j h PHE 28 CO 0.04 0.05 0.28 0.77 -2.02 0.00 0.00 178.31 177.43 2h3j h SER 29 N 0.24 0.61 1.42 0.41 0.02 -0.50 -1.70 113.55 114.06 2h3j h SER 29 Ca 0.18 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2h3j h SER 29 Cb 0.19 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2h3j h SER 29 CO -0.21 0.49 0.00 0.23 -1.14 0.00 0.00 176.83 176.20 2h3j n MET 30 N -4.41 0.27 0.00 3.45 2.81 -0.56 -4.89 117.12 113.78 2h3j n MET 30 Ca 0.04 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 2h3j n MET 30 Cb 0.09 -1.83 0.00 0.00 -0.71 0.00 0.00 33.22 30.78 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 1.17 1.17 3.33 3.03 0.00 -0.41 -5.06 105.19 108.42 2h3j n GLY 31 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 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 6.62 0.14 0.99 1.43 0.67 -4.94 118.68 123.59 2h3j s LEU 32 Ca 0.00 -2.96 0.06 0.00 -1.03 0.00 0.00 54.13 50.19 2h3j s LEU 32 Cb 0.00 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 2h3j s LEU 32 CO 0.00 -0.49 -0.12 -1.48 0.23 0.00 0.00 176.35 174.49 2h3j s LEU 33 N -0.25 2.48 0.09 1.79 2.34 -1.26 -3.25 118.68 120.62 2h3j s LEU 33 Ca 0.22 -0.92 -0.31 0.00 0.06 0.00 0.00 54.13 53.18 2h3j s LEU 33 Cb -0.10 -0.48 -0.10 0.00 -0.56 0.00 0.00 46.19 44.96 2h3j s LEU 33 CO -0.09 -0.23 1.84 -2.16 -1.06 0.00 0.00 176.35 174.66 2h3j s PRO 34 N -3.25 4.15 0.00 1.48 0.04 -1.26 -1.79 135.00 134.36 2h3j s PRO 34 Ca 0.14 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2h3j s PRO 34 Cb -0.01 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2h3j s PRO 34 CO 0.03 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.62 2h3j n GLY 35 N 4.28 2.26 3.53 0.56 0.00 0.60 -4.99 105.19 111.43 2h3j n GLY 35 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2h3j n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h3j s ALA 36 N -2.30 3.38 -0.12 4.61 0.00 -0.74 -4.84 121.76 121.75 2h3j s ALA 36 Ca 0.00 -1.12 -0.20 0.00 0.00 0.00 0.00 51.96 50.64 2h3j s ALA 36 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 2h3j s ALA 36 CO 0.00 -1.64 0.54 0.00 0.00 0.00 0.00 175.76 174.66 2h3j s ALA 37 N 2.75 3.45 -0.04 0.00 0.00 -1.26 -3.00 121.76 123.67 2h3j s ALA 37 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 2h3j s ALA 37 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2h3j s ALA 37 CO 0.18 -0.10 0.07 -0.51 0.00 0.00 0.00 175.76 175.40 2h3j s LEU 38 N 0.84 3.90 -0.22 0.00 2.01 -0.06 -4.80 118.68 120.36 2h3j s LEU 38 Ca 0.29 0.19 -0.07 0.00 0.01 0.00 0.00 54.13 54.55 2h3j s LEU 38 Cb -0.16 -2.15 -0.03 0.00 0.01 0.00 0.00 46.19 43.86 2h3j s LEU 38 CO 0.12 0.31 0.06 -0.60 1.01 0.00 0.00 176.35 177.26 2h3j s ARG 39 N -1.46 3.79 0.06 1.70 3.52 -0.58 -0.35 118.95 125.63 2h3j s ARG 39 Ca 0.20 -0.42 -0.31 0.00 -0.13 0.00 0.00 55.73 55.07 2h3j s ARG 39 Cb -0.12 -3.26 -0.08 0.00 -1.56 0.00 0.00 34.95 29.93 2h3j s ARG 39 CO 0.10 0.02 1.55 0.54 -0.81 0.00 0.00 175.30 176.70 2h3j s VAL 40 N 1.05 3.23 -0.19 7.11 0.11 -0.04 0.48 120.40 132.14 2h3j s VAL 40 Ca 0.04 0.70 0.02 0.00 -2.93 0.00 0.00 61.98 59.81 2h3j s VAL 40 Cb -0.14 -3.45 -0.13 0.00 -1.53 0.00 0.00 36.38 31.13 2h3j s VAL 40 CO 0.03 0.01 -0.16 0.52 -3.33 0.00 0.00 175.10 172.17 2h3j n VAL 41 N 4.59 1.12 -3.65 2.04 0.31 0.15 -2.46 118.33 120.41 2h3j n VAL 41 Ca 0.14 -0.44 -0.04 0.00 -0.01 0.00 0.00 64.34 64.00 2h3j n VAL 41 Cb 0.41 -1.16 -0.06 0.00 -0.91 0.00 0.00 33.84 32.13 2h3j n VAL 41 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2h3j s ARG 42 N -2.39 0.54 -0.17 5.55 3.52 -0.33 -0.79 118.95 124.88 2h3j s ARG 42 Ca -0.25 1.32 -0.12 0.00 -0.13 0.00 0.00 55.73 56.54 2h3j s ARG 42 Cb 0.07 0.64 -0.05 0.00 -1.56 0.00 0.00 34.95 34.05 2h3j s ARG 42 CO 0.46 -0.20 0.24 0.42 -0.81 0.00 0.00 175.30 175.41 2h3j s ILE 43 N 2.62 5.34 0.15 4.11 1.09 -1.26 -0.14 121.20 133.11 2h3j s ILE 43 Ca -0.06 0.43 -0.30 0.00 -1.10 0.00 0.00 60.65 59.62 2h3j s ILE 43 Cb -0.11 -3.58 -0.07 0.00 -1.06 0.00 0.00 42.46 37.64 2h3j s ILE 43 CO -0.18 0.41 1.11 0.00 -0.10 0.00 0.00 174.94 176.18 2h3j s ALA 44 N 0.39 3.36 -1.57 9.38 0.00 -1.25 -4.91 121.76 127.16 2h3j s ALA 44 Ca 0.14 0.80 0.06 0.00 0.00 0.00 0.00 51.96 52.97 2h3j s ALA 44 Cb -0.12 -3.36 0.34 0.00 0.00 0.00 0.00 23.12 19.97 2h3j s ALA 44 CO 0.02 -0.24 1.00 -2.30 0.00 0.00 0.00 175.76 174.24 2h3j n PRO 45 N 2.67 0.12 0.06 0.00 -0.02 -1.26 -1.40 135.00 135.17 2h3j n PRO 45 Ca 0.04 0.17 0.10 0.00 -2.02 0.00 0.00 63.50 61.79 2h3j n PRO 45 Cb 0.46 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.38 2h3j n PRO 45 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2h3j n LEU 46 N -1.22 0.57 0.00 2.45 4.32 -1.26 -4.95 117.00 116.92 2h3j n LEU 46 Ca 0.03 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 2h3j n LEU 46 Cb 0.04 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 2h3j n LEU 46 CO 0.05 -0.08 0.00 0.61 -1.22 0.00 0.00 177.39 176.75 2h3j n GLY 47 N 1.24 2.55 3.66 -0.72 0.00 -0.49 -5.06 105.19 106.38 2h3j n GLY 47 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2h3j n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2h3j s ASP 48 N -1.44 2.41 0.31 1.61 1.01 -1.26 -4.55 116.67 114.76 2h3j s ASP 48 Ca 0.00 1.16 -0.11 0.00 0.71 0.00 0.00 52.55 54.31 2h3j s ASP 48 Cb 0.00 -1.83 -0.09 0.00 1.01 0.00 0.00 42.92 42.01 2h3j s ASP 48 CO 0.00 -3.26 -0.07 -2.65 0.21 0.00 0.00 175.17 169.39 2h3j n PRO 49 N -4.26 0.00 -4.96 8.23 -0.01 -1.25 -4.15 135.00 128.60 2h3j n PRO 49 Ca 0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 63.50 63.26 2h3j n PRO 49 Cb 0.57 -0.62 -0.16 0.00 -0.01 0.00 0.00 33.50 33.28 2h3j n PRO 49 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 2h3j s ILE 50 N -1.24 1.63 -0.20 4.25 1.01 -1.17 -3.85 121.20 121.64 2h3j s ILE 50 Ca 0.35 -0.82 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 2h3j s ILE 50 Cb -0.31 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.76 2h3j s ILE 50 CO 0.41 0.46 1.09 -1.10 0.00 0.00 0.00 174.94 175.80 2h3j s GLN 51 N 0.08 4.27 0.18 2.79 1.11 0.80 -3.78 119.66 125.12 2h3j s GLN 51 Ca -0.06 1.44 0.07 0.00 0.01 0.00 0.00 55.36 56.81 2h3j s GLN 51 Cb -0.13 -3.66 -0.05 0.00 -1.01 0.00 0.00 33.01 28.17 2h3j s GLN 51 CO 0.03 -0.61 -0.13 0.14 0.01 0.00 0.00 175.29 174.73 2h3j s VAL 52 N 3.12 1.53 -0.13 1.09 -7.23 0.28 0.29 120.40 119.36 2h3j s VAL 52 Ca 0.47 -2.16 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 2h3j s VAL 52 Cb -0.17 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2h3j s VAL 52 CO 0.10 -0.65 -0.10 -0.70 -0.31 0.00 0.00 175.10 173.44 2h3j s GLU 53 N -3.68 3.41 -0.18 4.82 2.12 0.18 0.38 118.70 125.75 2h3j s GLU 53 Ca 0.20 -0.63 0.09 0.00 0.36 0.00 0.00 54.97 54.99 2h3j s GLU 53 Cb 0.00 -2.71 -0.17 0.00 0.26 0.00 0.00 34.13 31.52 2h3j s GLU 53 CO 0.05 0.26 -0.05 -2.37 -0.54 0.00 0.00 175.26 172.60 2h3j n THR 54 N 3.42 1.14 0.00 -1.70 5.66 -1.15 -1.52 114.28 120.13 2h3j n THR 54 Ca -0.18 -0.58 0.00 0.00 -3.05 0.00 0.00 64.05 60.24 2h3j n THR 54 Cb 0.53 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 68.44 2h3j n THR 54 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2h3j n ARG 55 N -2.82 0.00 -0.01 1.09 1.74 -1.26 -4.99 116.66 110.41 2h3j n ARG 55 Ca -0.31 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.81 2h3j n ARG 55 Cb 0.96 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.45 2h3j n ARG 55 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2h3j n GLN 56 N -0.07 0.40 -4.17 5.56 3.00 -1.26 -5.01 117.38 115.83 2h3j n GLN 56 Ca 0.00 -1.08 -0.15 0.00 -0.01 0.00 0.00 57.00 55.76 2h3j n GLN 56 Cb 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 30.24 28.96 2h3j n GLN 56 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2h3j s THR 57 N -0.73 0.93 -0.10 5.09 -1.32 -1.26 -5.15 115.64 113.10 2h3j s THR 57 Ca 0.11 -1.59 -0.04 0.00 -1.21 0.00 0.00 61.69 58.96 2h3j s THR 57 Cb 0.07 -1.30 -0.04 0.00 -1.51 0.00 0.00 72.50 69.72 2h3j s THR 57 CO 0.11 -0.53 0.04 -0.44 -2.21 0.00 0.00 174.62 171.59 2h3j s SER 58 N -2.35 5.56 0.45 8.08 0.01 -1.26 -2.92 113.70 121.27 2h3j s SER 58 Ca 0.04 0.22 0.05 0.00 1.31 0.00 0.00 55.95 57.58 2h3j s SER 58 Cb -0.04 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 2h3j s SER 58 CO 0.00 0.37 0.07 -0.76 0.41 0.00 0.00 173.24 173.33 2h3j s LEU 59 N -0.83 2.73 -0.03 2.44 1.02 0.16 -4.87 118.68 119.31 2h3j s LEU 59 Ca 0.13 -1.39 -0.03 0.00 0.02 0.00 0.00 54.13 52.86 2h3j s LEU 59 Cb -0.12 -0.98 0.01 0.00 0.02 0.00 0.00 46.19 45.12 2h3j s LEU 59 CO 0.03 -0.64 0.09 0.00 0.02 0.00 0.00 176.35 175.84 2h3j s ALA 60 N -2.74 -0.21 0.01 4.21 0.00 -1.26 -0.55 121.76 121.22 2h3j s ALA 60 Ca 0.27 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.32 2h3j s ALA 60 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 2h3j s ALA 60 CO 0.14 -0.07 0.11 -0.48 0.00 0.00 0.00 175.76 175.47 2h3j s LEU 61 N -0.21 1.69 1.03 0.00 0.05 -1.25 -4.95 118.68 115.03 2h3j s LEU 61 Ca -0.03 -0.31 -0.15 0.00 0.05 0.00 0.00 54.13 53.69 2h3j s LEU 61 Cb -0.02 0.59 0.21 0.00 -2.05 0.00 0.00 46.19 44.92 2h3j s LEU 61 CO 0.00 -0.39 1.16 -0.13 -0.55 0.00 0.00 176.35 176.44 2h3j s ARG 62 N -1.65 0.18 0.25 1.48 1.81 -1.26 -3.04 118.95 116.72 2h3j s ARG 62 Ca -0.13 0.05 0.03 0.00 -1.72 0.00 0.00 55.73 53.96 2h3j s ARG 62 Cb -0.07 -1.75 0.30 0.00 -0.45 0.00 0.00 34.95 32.98 2h3j s ARG 62 CO 0.00 -2.80 1.61 0.07 -0.68 0.00 0.00 175.30 173.50 2h3j h ARG 63 N -1.93 0.34 -0.36 3.54 0.11 -1.90 -0.75 114.38 113.43 2h3j h ARG 63 Ca -0.48 -0.19 0.04 0.00 0.10 0.00 0.00 59.98 59.44 2h3j h ARG 63 Cb 1.30 0.01 -0.04 0.00 1.11 0.00 0.00 29.97 32.36 2h3j h ARG 63 CO 0.48 0.76 0.15 -0.22 0.10 0.00 0.00 179.97 181.23 2h3j h LYS 64 N 0.27 0.30 -0.37 0.08 3.11 -1.95 -1.01 116.57 117.00 2h3j h LYS 64 Ca 0.01 -0.02 -0.12 0.00 -2.81 0.00 0.00 60.65 57.71 2h3j h LYS 64 Cb 0.97 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.12 2h3j h LYS 64 CO 0.08 0.20 -0.27 -0.44 -2.81 0.00 0.00 179.45 176.21 2h3j h ASP 65 N 0.31 0.80 -0.91 4.20 3.32 -1.82 -2.52 116.42 119.80 2h3j h ASP 65 Ca 0.16 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 56.93 2h3j h ASP 65 Cb 0.11 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 2h3j h ASP 65 CO -0.14 1.02 0.60 0.25 -1.72 0.00 0.00 179.24 179.25 2h3j h LEU 66 N 0.67 1.01 -1.23 1.55 5.85 -0.82 -1.69 115.31 120.65 2h3j h LEU 66 Ca 0.08 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 2h3j h LEU 66 Cb 0.79 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2h3j h LEU 66 CO 0.07 0.71 -0.28 0.00 -0.34 0.00 0.00 178.44 178.60 2h3j h ALA 67 N 1.45 1.10 -0.00 1.25 0.00 -0.76 -2.61 119.26 119.69 2h3j h ALA 67 Ca 0.35 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2h3j h ALA 67 Cb -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2h3j h ALA 67 CO -0.09 0.35 -0.17 1.28 0.00 0.00 0.00 179.25 180.62 2h3j n LEU 68 N -3.57 0.25 -4.67 0.00 4.77 -0.66 -4.65 117.00 108.47 2h3j n LEU 68 Ca -0.01 0.23 -0.35 0.00 -0.03 0.00 0.00 56.01 55.86 2h3j n LEU 68 Cb 0.42 -0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 2h3j n LEU 68 CO 0.35 0.06 -0.25 -0.76 -1.33 0.00 0.00 177.39 175.45 2h3j s LEU 69 N -2.86 3.84 -0.37 2.23 1.43 -0.98 -0.20 118.68 121.77 2h3j s LEU 69 Ca 0.17 0.13 -0.22 0.00 -1.03 0.00 0.00 54.13 53.19 2h3j s LEU 69 Cb 0.19 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2h3j s LEU 69 CO 0.56 0.23 0.70 -0.89 0.23 0.00 0.00 176.35 177.19 2h3j s THR 70 N 0.00 4.82 -0.09 5.49 2.01 0.05 -4.72 115.64 123.20 2h3j s THR 70 Ca 0.06 0.68 0.04 0.00 0.31 0.00 0.00 61.69 62.77 2h3j s THR 70 Cb -0.12 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2h3j s THR 70 CO 0.01 -0.39 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.57 2h3j s LEU 71 N 2.89 2.22 -0.07 4.42 1.43 -1.26 -1.31 118.68 127.00 2h3j s LEU 71 Ca 0.27 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 2h3j s LEU 71 Cb -0.14 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 2h3j s LEU 71 CO 0.16 0.20 -0.22 0.68 0.23 0.00 0.00 176.35 177.40 2h3j s VAL 72 N 0.12 1.84 0.86 -1.59 -7.23 0.08 -4.95 120.40 109.54 2h3j s VAL 72 Ca -0.11 -0.92 -0.11 0.00 -1.81 0.00 0.00 61.98 59.03 2h3j s VAL 72 Cb -0.16 -1.58 0.11 0.00 0.56 0.00 0.00 36.38 35.31 2h3j s VAL 72 CO 0.06 0.51 1.09 -2.16 -0.31 0.00 0.00 175.10 174.30 2h3j s PRO 73 N 0.15 1.54 0.29 4.82 0.04 -1.26 0.35 135.00 140.93 2h3j s PRO 73 Ca -0.11 0.95 0.24 0.00 0.04 0.00 0.00 61.00 62.12 2h3j s PRO 73 Cb -0.15 -1.83 1.07 0.00 0.04 0.00 0.00 34.50 33.63 2h3j s PRO 73 CO 0.05 -2.08 1.72 1.28 0.04 0.00 0.00 177.00 178.01 2h3j n LEU 74 N -3.79 0.68 0.00 -3.56 4.77 -1.14 -4.71 117.00 109.24 2h3j n LEU 74 Ca 0.08 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 2h3j n LEU 74 Cb 0.54 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2h3j n LEU 74 CO 0.55 -0.70 0.00 -0.67 -1.33 0.00 0.00 177.39 175.24