#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 5.76 -0.60 6.12 0.15 -1.26 -5.04 113.70 118.82 2h3j s SER 2 Ca 0.00 -0.97 -0.18 0.00 0.70 0.00 0.00 55.95 55.50 2h3j s SER 2 Cb 0.00 -2.03 0.12 0.00 -1.71 0.00 0.00 66.02 62.39 2h3j s SER 2 CO 0.00 -0.38 0.68 0.00 1.20 0.00 0.00 173.24 174.73 2h3j s ALA 3 N 1.57 3.50 -0.25 5.45 0.00 -1.26 -5.03 121.76 125.73 2h3j s ALA 3 Ca 0.02 -2.37 -0.13 0.00 0.00 0.00 0.00 51.96 49.48 2h3j s ALA 3 Cb -0.19 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2h3j s ALA 3 CO 0.07 -2.30 0.28 -0.51 0.00 0.00 0.00 175.76 173.30 2h3j s LEU 4 N 2.33 4.08 -0.59 0.00 1.02 -1.26 -4.72 118.68 119.54 2h3j s LEU 4 Ca 0.11 0.22 0.04 0.00 0.02 0.00 0.00 54.13 54.52 2h3j s LEU 4 Cb -0.24 -2.29 0.15 0.00 0.02 0.00 0.00 46.19 43.83 2h3j s LEU 4 CO 0.04 -0.07 0.37 -1.58 0.02 0.00 0.00 176.35 175.13 2h3j s GLN 5 N 1.58 2.06 -0.46 1.70 0.74 0.42 -5.04 119.66 120.65 2h3j s GLN 5 Ca 0.12 -2.85 -0.28 0.00 0.05 0.00 0.00 55.36 52.40 2h3j s GLN 5 Cb -0.15 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 30.80 2h3j s GLN 5 CO 0.08 -1.21 1.80 -1.25 -0.55 0.00 0.00 175.29 174.16 2h3j s PRO 6 N -0.72 3.02 -0.14 1.67 0.04 -1.24 -4.62 135.00 133.01 2h3j s PRO 6 Ca 0.21 1.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.12 2h3j s PRO 6 Cb -0.14 -4.27 -0.13 0.00 0.04 0.00 0.00 34.50 29.99 2h3j s PRO 6 CO -0.09 -2.24 0.30 1.03 0.04 0.00 0.00 177.00 176.04 2h3j h SER 7 N 13.72 0.00 -4.45 6.66 0.87 -1.90 -3.49 113.55 124.97 2h3j h SER 7 Ca -0.29 -0.45 -0.08 0.00 -1.23 0.00 0.00 61.79 59.73 2h3j h SER 7 Cb 1.16 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.91 2h3j h SER 7 CO 1.12 0.88 -0.02 -0.60 -0.53 0.00 0.00 176.83 177.68 2h3j s ARG 8 N -2.03 0.78 0.06 2.24 3.52 -1.26 -5.13 118.95 117.13 2h3j s ARG 8 Ca -0.14 0.45 -0.17 0.00 -0.13 0.00 0.00 55.73 55.74 2h3j s ARG 8 Cb 0.00 0.37 -0.06 0.00 -1.56 0.00 0.00 34.95 33.70 2h3j s ARG 8 CO 0.38 -0.17 0.51 -1.12 -0.81 0.00 0.00 175.30 174.09 2h3j s SER 9 N -0.44 6.94 0.01 -2.12 0.01 -1.26 -4.13 113.70 112.71 2h3j s SER 9 Ca -0.06 1.12 0.07 0.00 1.31 0.00 0.00 55.95 58.40 2h3j s SER 9 Cb -0.03 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 2h3j s SER 9 CO 0.04 0.27 -0.21 -0.31 0.41 0.00 0.00 173.24 173.44 2h3j s TYR 10 N -1.15 1.84 0.21 2.43 2.02 -0.67 -2.25 117.35 119.78 2h3j s TYR 10 Ca 0.28 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.65 2h3j s TYR 10 Cb -0.18 -1.14 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 2h3j s TYR 10 CO 0.17 0.03 0.35 1.03 -1.57 0.00 0.00 175.55 175.56 2h3j s ARG 11 N -0.80 3.46 -0.38 -0.62 0.52 0.20 0.44 118.95 121.76 2h3j s ARG 11 Ca 0.08 -0.60 -0.18 0.00 -0.52 0.00 0.00 55.73 54.51 2h3j s ARG 11 Cb -0.08 -2.89 0.01 0.00 0.52 0.00 0.00 34.95 32.50 2h3j s ARG 11 CO 0.00 0.44 0.52 0.42 0.02 0.00 0.00 175.30 176.70 2h3j s ILE 12 N -1.90 5.00 0.24 1.52 1.01 0.15 -1.02 121.20 126.20 2h3j s ILE 12 Ca 0.35 0.14 0.04 0.00 0.00 0.00 0.00 60.65 61.18 2h3j s ILE 12 Cb -0.10 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 2h3j s ILE 12 CO 0.29 -0.33 1.59 0.74 0.00 0.00 0.00 174.94 177.23 2h3j h THR 13 N 5.69 1.35 0.00 2.92 2.02 -0.94 0.21 112.91 124.16 2h3j h THR 13 Ca -0.27 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.09 2h3j h THR 13 Cb 1.12 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 2h3j h THR 13 CO 0.80 0.54 0.00 0.61 0.37 0.00 0.00 175.52 177.84 2h3j n GLY 14 N 0.14 -0.14 3.64 2.16 0.00 -0.76 -4.60 105.19 105.62 2h3j n GLY 14 Ca -0.02 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 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 -4.00 2.66 0.23 1.61 1.51 -1.26 -0.77 117.35 117.33 2h3j s TYR 15 Ca 0.00 -0.25 -0.31 0.00 -1.01 0.00 0.00 57.07 55.50 2h3j s TYR 15 Cb 0.00 -1.22 -0.11 0.00 -0.11 0.00 0.00 41.96 40.52 2h3j s TYR 15 CO 0.00 0.60 1.56 0.45 -1.11 0.00 0.00 175.55 177.06 2h3j s SER 16 N -3.67 6.51 0.44 2.29 0.15 0.39 -4.55 113.70 115.24 2h3j s SER 16 Ca 0.32 2.77 0.29 0.00 0.70 0.00 0.00 55.95 60.04 2h3j s SER 16 Cb -0.06 -2.62 1.60 0.00 -1.71 0.00 0.00 66.02 63.23 2h3j s SER 16 CO 0.20 -0.84 1.90 -0.65 1.20 0.00 0.00 173.24 175.05 2h3j h PRO 17 N 5.70 0.00 -0.62 5.44 0.11 -1.95 -1.25 132.00 139.42 2h3j h PRO 17 Ca -0.45 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 2h3j h PRO 17 Cb 1.21 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 2h3j h PRO 17 CO 0.84 0.00 0.20 0.00 -0.21 0.00 0.00 178.00 178.83 2h3j n ALA 18 N -1.88 4.33 -1.56 -0.75 0.00 -1.26 -4.98 120.51 114.41 2h3j n ALA 18 Ca -0.02 -2.45 -0.33 0.00 0.00 0.00 0.00 53.44 50.64 2h3j n ALA 18 Cb 0.05 -1.11 0.04 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.01 3.43 -0.10 0.00 2.07 -0.48 -5.04 121.20 118.07 2h3j s ILE 19 Ca 0.52 0.66 0.02 0.00 -1.41 0.00 0.00 60.65 60.45 2h3j s ILE 19 Cb 0.42 -3.19 0.01 0.00 0.13 0.00 0.00 42.46 39.83 2h3j s ILE 19 CO 0.11 -0.41 -0.17 -0.94 -1.91 0.00 0.00 174.94 171.62 2h3j s SER 20 N -2.67 2.52 0.75 4.50 1.04 -1.26 -5.06 113.70 113.53 2h3j s SER 20 Ca 0.66 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2h3j s SER 20 Cb -0.19 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.78 2h3j s SER 20 CO 0.40 0.06 0.00 0.59 0.98 0.00 0.00 173.24 175.27 2h3j n ASN 21 N 3.98 -1.43 -0.25 7.02 4.13 -1.26 -3.11 115.26 124.33 2h3j n ASN 21 Ca -0.20 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.06 2h3j n ASN 21 Cb 0.52 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 2h3j n ASN 21 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2h3j n GLY 22 N 0.00 0.21 0.31 7.41 0.00 -1.26 -3.26 105.19 108.60 2h3j n GLY 22 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.12 0.76 -0.70 1.61 3.20 -1.97 0.11 116.97 120.10 2h3j h TYR 23 Ca 0.00 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 2h3j h TYR 23 Cb 0.19 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 2h3j h TYR 23 CO 0.00 0.57 0.16 -0.09 -1.64 0.00 0.00 178.16 177.16 2h3j h ARG 24 N 0.76 1.12 -0.25 1.82 1.12 -1.78 -1.16 114.38 116.02 2h3j h ARG 24 Ca 0.19 -0.27 -0.12 0.00 -1.11 0.00 0.00 59.98 58.67 2h3j h ARG 24 Cb 0.11 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 29.91 2h3j h ARG 24 CO -0.02 0.99 -0.34 1.96 -3.11 0.00 0.00 179.97 179.45 2h3j h GLN 25 N 1.06 0.53 -0.63 0.20 4.20 -1.51 0.28 115.11 119.25 2h3j h GLN 25 Ca 0.22 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 2h3j h GLN 25 Cb 0.38 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 2h3j h GLN 25 CO 0.00 0.80 0.17 -0.09 -0.67 0.00 0.00 178.83 179.04 2h3j h ARG 26 N 0.45 0.99 -0.35 1.46 2.43 -0.51 0.22 114.38 119.07 2h3j h ARG 26 Ca 0.05 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 2h3j h ARG 26 Cb 0.80 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2h3j h ARG 26 CO 0.07 0.89 -0.07 -0.07 -1.51 0.00 0.00 179.97 179.28 2h3j h LEU 27 N 0.91 0.67 -0.56 3.80 3.38 -0.81 -1.73 115.31 120.96 2h3j h LEU 27 Ca 0.20 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2h3j h LEU 27 Cb 0.34 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2h3j h LEU 27 CO -0.00 0.86 0.36 0.15 0.09 0.00 0.00 178.44 179.90 2h3j h PHE 28 N 0.46 0.68 -0.28 1.13 3.57 -0.20 0.10 116.94 122.40 2h3j h PHE 28 Ca 0.09 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2h3j h PHE 28 Cb 0.56 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2h3j h PHE 28 CO 0.05 0.41 -0.05 0.77 -2.23 0.00 0.00 178.31 177.26 2h3j h SER 29 N 0.72 0.41 1.49 0.41 0.02 -0.48 -2.25 113.55 113.89 2h3j h SER 29 Ca 0.21 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2h3j h SER 29 Cb -0.05 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2h3j h SER 29 CO -0.06 0.52 0.00 0.24 -1.14 0.00 0.00 176.83 176.38 2h3j h MET 30 N 0.42 0.00 0.00 3.45 2.86 -0.52 -3.46 114.93 117.68 2h3j h MET 30 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2h3j h MET 30 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2h3j h MET 30 CO 0.02 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.40 2h3j n GLY 31 N 1.01 1.38 3.31 8.32 0.00 -0.55 -5.07 105.19 113.58 2h3j n GLY 31 Ca 0.04 0.00 -0.46 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 6.37 0.08 0.99 1.43 0.24 -4.99 118.68 122.80 2h3j s LEU 32 Ca 0.00 -2.17 0.04 0.00 -1.03 0.00 0.00 54.13 50.97 2h3j s LEU 32 Cb 0.00 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2h3j s LEU 32 CO 0.00 -0.73 -0.11 -1.48 0.23 0.00 0.00 176.35 174.26 2h3j s LEU 33 N 0.99 2.34 0.35 1.79 2.34 -1.26 -3.65 118.68 121.58 2h3j s LEU 33 Ca 0.09 -0.71 -0.29 0.00 0.06 0.00 0.00 54.13 53.29 2h3j s LEU 33 Cb -0.22 -0.36 -0.11 0.00 -0.56 0.00 0.00 46.19 44.94 2h3j s LEU 33 CO -0.02 -0.19 1.45 -2.16 -1.06 0.00 0.00 176.35 174.37 2h3j s PRO 34 N -2.27 4.18 0.00 1.48 0.04 -1.26 -3.12 135.00 134.05 2h3j s PRO 34 Ca 0.01 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2h3j s PRO 34 Cb -0.06 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.47 2h3j s PRO 34 CO 0.01 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2h3j n GLY 35 N 0.84 2.41 0.98 0.56 0.00 0.74 -4.97 105.19 105.75 2h3j n GLY 35 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.46 -0.28 -3.09 4.61 0.00 -1.18 -4.79 120.51 115.32 2h3j n ALA 36 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 2h3j n ALA 36 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.71 -0.43 -0.05 0.00 0.00 -1.26 -0.68 121.76 115.63 2h3j s ALA 37 Ca 0.19 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.49 2h3j s ALA 37 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 2h3j s ALA 37 CO 0.13 -0.14 -0.23 -0.51 0.00 0.00 0.00 175.76 175.01 2h3j s LEU 38 N -0.50 2.23 -0.30 0.00 1.43 0.17 -4.68 118.68 117.03 2h3j s LEU 38 Ca -0.06 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 2h3j s LEU 38 Cb -0.04 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 2h3j s LEU 38 CO 0.01 0.29 0.18 -0.60 0.23 0.00 0.00 176.35 176.46 2h3j s ARG 39 N -0.43 3.64 0.13 1.70 3.52 0.25 -1.67 118.95 126.09 2h3j s ARG 39 Ca 0.04 -0.53 -0.31 0.00 -0.13 0.00 0.00 55.73 54.81 2h3j s ARG 39 Cb -0.12 -3.64 -0.10 0.00 -1.56 0.00 0.00 34.95 29.53 2h3j s ARG 39 CO 0.01 -0.31 1.70 0.54 -0.81 0.00 0.00 175.30 176.43 2h3j s VAL 40 N 1.70 2.60 -0.12 7.11 0.11 -1.26 -0.94 120.40 129.60 2h3j s VAL 40 Ca 0.06 0.25 -0.08 0.00 -2.93 0.00 0.00 61.98 59.28 2h3j s VAL 40 Cb -0.17 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.49 2h3j s VAL 40 CO 0.09 0.01 -0.16 0.52 -3.33 0.00 0.00 175.10 172.23 2h3j n VAL 41 N 4.43 1.24 -3.53 2.04 0.31 0.16 -3.69 118.33 119.29 2h3j n VAL 41 Ca 0.16 0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.64 2h3j n VAL 41 Cb 0.38 -2.28 -0.04 0.00 -0.91 0.00 0.00 33.84 31.00 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 -2.10 0.76 -0.22 5.55 0.52 -0.86 -0.43 118.95 122.17 2h3j s ARG 42 Ca -0.13 -0.09 -0.00 0.00 -0.52 0.00 0.00 55.73 54.99 2h3j s ARG 42 Cb 0.02 0.35 0.02 0.00 0.52 0.00 0.00 34.95 35.87 2h3j s ARG 42 CO 0.20 -0.29 -0.11 0.42 0.02 0.00 0.00 175.30 175.53 2h3j s ILE 43 N -2.21 2.55 0.24 1.52 1.09 -1.26 -0.69 121.20 122.43 2h3j s ILE 43 Ca 0.01 -1.02 -0.31 0.00 -1.10 0.00 0.00 60.65 58.23 2h3j s ILE 43 Cb -0.01 -2.24 -0.14 0.00 -1.06 0.00 0.00 42.46 39.02 2h3j s ILE 43 CO -0.03 0.31 1.37 0.00 -0.10 0.00 0.00 174.94 176.49 2h3j n ALA 44 N 4.63 0.92 0.72 9.38 0.00 -1.26 -4.84 120.51 130.07 2h3j n ALA 44 Ca -0.18 0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.74 2h3j n ALA 44 Cb 0.48 -2.25 0.35 0.00 0.00 0.00 0.00 19.45 18.03 2h3j n ALA 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2h3j n PRO 45 N 1.92 0.33 0.23 0.00 -0.04 -1.26 -2.04 135.00 134.15 2h3j n PRO 45 Ca 0.12 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2h3j n PRO 45 Cb 0.31 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.83 2h3j n PRO 45 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2h3j h LEU 46 N 0.00 0.00 0.00 1.53 -0.00 -2.03 -3.47 115.31 111.34 2h3j h LEU 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2h3j h LEU 46 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 2h3j h LEU 46 CO 0.00 0.17 0.00 0.61 -0.00 0.00 0.00 178.44 179.22 2h3j n GLY 47 N -0.95 -0.70 3.46 0.83 0.00 -0.87 -5.10 105.19 101.86 2h3j n GLY 47 Ca -0.02 0.29 0.01 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.63 -0.70 0.00 1.61 -1.08 -1.25 -4.84 116.67 107.77 2h3j s ASP 48 Ca 0.00 0.97 0.00 0.00 -0.52 0.00 0.00 52.55 53.00 2h3j s ASP 48 Cb 0.00 1.80 0.00 0.00 -1.46 0.00 0.00 42.92 43.26 2h3j s ASP 48 CO 0.00 -0.13 0.00 -0.81 0.52 0.00 0.00 175.17 174.75 2h3j n PRO 49 N 5.08 2.19 -3.53 4.34 -0.04 -1.26 -4.67 135.00 137.10 2h3j n PRO 49 Ca -0.10 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.09 2h3j n PRO 49 Cb 0.52 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.83 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 -0.62 -0.10 -0.32 0.52 1.01 -0.35 -4.54 121.20 116.80 2h3j s ILE 50 Ca 0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 2h3j s ILE 50 Cb 0.00 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.52 2h3j s ILE 50 CO 0.00 -0.68 0.78 -1.58 0.00 0.00 0.00 174.94 173.46 2h3j s GLN 51 N 2.13 3.91 0.32 2.79 2.00 0.13 -2.63 119.66 128.31 2h3j s GLN 51 Ca 0.09 0.51 0.04 0.00 -2.00 0.00 0.00 55.36 54.00 2h3j s GLN 51 Cb -0.16 -3.75 -0.03 0.00 0.80 0.00 0.00 33.01 29.87 2h3j s GLN 51 CO -0.35 -0.72 0.19 0.14 -0.50 0.00 0.00 175.29 174.05 2h3j s VAL 52 N 2.98 0.23 -0.10 1.34 -7.23 0.63 0.39 120.40 118.64 2h3j s VAL 52 Ca 0.32 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.40 2h3j s VAL 52 Cb -0.14 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.34 2h3j s VAL 52 CO 0.14 0.00 0.26 -0.70 -0.31 0.00 0.00 175.10 174.48 2h3j s GLU 53 N -3.72 0.29 -0.12 4.82 2.12 -0.12 0.42 118.70 122.39 2h3j s GLU 53 Ca 0.36 0.38 0.02 0.00 0.36 0.00 0.00 54.97 56.09 2h3j s GLU 53 Cb 0.04 0.12 0.22 0.00 0.26 0.00 0.00 34.13 34.77 2h3j s GLU 53 CO 0.20 -0.05 1.17 2.41 -0.54 0.00 0.00 175.26 178.45 2h3j n THR 54 N 3.09 1.45 -1.24 -1.70 -1.04 -0.94 -0.58 114.28 113.32 2h3j n THR 54 Ca -0.14 -0.55 -0.08 0.00 -2.04 0.00 0.00 64.05 61.24 2h3j n THR 54 Cb 0.58 -0.72 -0.03 0.00 -1.82 0.00 0.00 70.33 68.33 2h3j n THR 54 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2h3j n ARG 55 N 0.05 -1.08 0.00 -2.82 0.63 -1.26 -4.71 116.66 107.47 2h3j n ARG 55 Ca 0.16 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 2h3j n ARG 55 Cb 0.78 -4.75 0.00 0.00 0.45 0.00 0.00 32.46 28.94 2h3j n ARG 55 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2h3j n GLN 56 N -1.73 0.00 -4.82 -0.14 7.27 -1.26 -5.11 117.38 111.59 2h3j n GLN 56 Ca -0.08 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.67 2h3j n GLN 56 Cb 0.40 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.92 2h3j n GLN 56 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2h3j s THR 57 N -0.94 3.00 0.27 1.69 2.01 -1.26 -5.12 115.64 115.29 2h3j s THR 57 Ca 0.00 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 60.96 2h3j s THR 57 Cb 0.00 -2.20 -0.09 0.00 0.01 0.00 0.00 72.50 70.22 2h3j s THR 57 CO 0.00 0.51 0.75 -0.94 -0.69 0.00 0.00 174.62 174.25 2h3j s SER 58 N -0.96 6.95 0.17 3.53 1.04 -1.26 -2.22 113.70 120.93 2h3j s SER 58 Ca 0.13 1.39 -0.02 0.00 0.48 0.00 0.00 55.95 57.92 2h3j s SER 58 Cb -0.11 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 2h3j s SER 58 CO 0.02 -0.08 0.12 -0.76 0.98 0.00 0.00 173.24 173.52 2h3j s LEU 59 N -2.44 1.39 0.05 2.42 1.43 0.17 -4.95 118.68 116.75 2h3j s LEU 59 Ca 0.49 -1.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 2h3j s LEU 59 Cb -0.14 0.47 -0.03 0.00 0.03 0.00 0.00 46.19 46.52 2h3j s LEU 59 CO 0.19 -0.80 -0.05 0.00 0.23 0.00 0.00 176.35 175.92 2h3j s ALA 60 N -4.08 0.54 0.25 4.21 0.00 -1.25 -0.27 121.76 121.16 2h3j s ALA 60 Ca 0.29 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 51.10 2h3j s ALA 60 Cb 0.07 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.36 2h3j s ALA 60 CO 0.06 -0.19 0.62 -0.48 0.00 0.00 0.00 175.76 175.77 2h3j s LEU 61 N -2.22 -0.09 0.46 0.00 0.05 -1.08 -4.92 118.68 110.88 2h3j s LEU 61 Ca -0.02 -0.62 0.07 0.00 0.05 0.00 0.00 54.13 53.61 2h3j s LEU 61 Cb -0.02 2.39 -0.00 0.00 -2.05 0.00 0.00 46.19 46.51 2h3j s LEU 61 CO -0.04 -1.22 0.40 -0.13 -0.55 0.00 0.00 176.35 174.81 2h3j s ARG 62 N -3.92 2.43 0.41 1.48 3.00 -1.26 -1.21 118.95 119.88 2h3j s ARG 62 Ca 0.13 -1.68 0.07 0.00 0.00 0.00 0.00 55.73 54.25 2h3j s ARG 62 Cb -0.03 -2.30 0.86 0.00 0.00 0.00 0.00 34.95 33.48 2h3j s ARG 62 CO 0.04 -0.33 2.06 0.07 0.00 0.00 0.00 175.30 177.15 2h3j h ARG 63 N 0.94 0.54 -0.77 3.54 0.11 -1.93 -0.22 114.38 116.59 2h3j h ARG 63 Ca -0.40 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 59.62 2h3j h ARG 63 Cb 1.27 -0.12 -0.04 0.00 1.11 0.00 0.00 29.97 32.20 2h3j h ARG 63 CO 0.57 0.35 0.36 -0.22 0.10 0.00 0.00 179.97 181.14 2h3j h LYS 64 N 0.55 1.12 -0.15 0.08 3.11 -1.98 -0.19 116.57 119.11 2h3j h LYS 64 Ca 0.15 -0.17 -0.20 0.00 -2.81 0.00 0.00 60.65 57.62 2h3j h LYS 64 Cb -0.06 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 30.97 2h3j h LYS 64 CO -0.03 0.88 -0.71 -0.44 -2.81 0.00 0.00 179.45 176.33 2h3j h ASP 65 N 1.10 0.76 -0.10 4.20 3.32 -1.72 -2.93 116.42 121.05 2h3j h ASP 65 Ca 0.26 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2h3j h ASP 65 Cb 0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2h3j h ASP 65 CO -0.03 1.25 0.03 0.25 -1.72 0.00 0.00 179.24 179.02 2h3j h LEU 66 N 0.46 0.19 -0.11 1.55 5.85 -0.66 0.36 115.31 122.95 2h3j h LEU 66 Ca -0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2h3j h LEU 66 Cb 1.31 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2h3j h LEU 66 CO 0.14 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.44 2h3j n ALA 67 N -2.51 1.80 0.47 1.25 0.00 -0.12 -2.29 120.51 119.12 2h3j n ALA 67 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.45 2h3j n ALA 67 Cb 0.13 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 2h3j n ALA 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2h3j n LEU 68 N -1.64 1.16 -4.09 0.00 4.77 0.03 -4.77 117.00 112.45 2h3j n LEU 68 Ca 0.04 -0.74 -0.30 0.00 -0.03 0.00 0.00 56.01 54.99 2h3j n LEU 68 Cb 0.22 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.14 2h3j n LEU 68 CO 0.17 0.24 -0.51 -0.76 -1.33 0.00 0.00 177.39 175.20 2h3j s LEU 69 N -1.75 1.85 -0.36 2.23 1.43 -0.68 -0.46 118.68 120.94 2h3j s LEU 69 Ca 0.08 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 2h3j s LEU 69 Cb 0.08 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 45.10 2h3j s LEU 69 CO 0.28 0.04 0.61 -0.89 0.23 0.00 0.00 176.35 176.62 2h3j s THR 70 N 0.93 4.91 0.03 5.49 2.01 0.05 -4.78 115.64 124.28 2h3j s THR 70 Ca -0.07 0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.48 2h3j s THR 70 Cb -0.15 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 2h3j s THR 70 CO -0.02 -0.32 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.64 2h3j s LEU 71 N 2.65 2.13 0.08 4.42 1.02 -1.26 -0.25 118.68 127.47 2h3j s LEU 71 Ca 0.23 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.93 2h3j s LEU 71 Cb -0.15 -0.92 -0.04 0.00 0.02 0.00 0.00 46.19 45.10 2h3j s LEU 71 CO 0.15 0.16 -0.05 0.68 0.02 0.00 0.00 176.35 177.31 2h3j s VAL 72 N -0.70 0.52 1.12 -1.59 -7.23 -0.19 -4.87 120.40 107.47 2h3j s VAL 72 Ca 0.07 -1.82 -0.12 0.00 -1.81 0.00 0.00 61.98 58.29 2h3j s VAL 72 Cb -0.08 -1.53 0.26 0.00 0.56 0.00 0.00 36.38 35.58 2h3j s VAL 72 CO 0.01 -0.87 1.05 -2.84 -0.31 0.00 0.00 175.10 172.14 2h3j s PRO 73 N -3.67 -0.56 0.11 4.82 0.02 -1.26 0.62 135.00 135.08 2h3j s PRO 73 Ca 0.08 0.96 -0.30 0.00 0.02 0.00 0.00 61.00 61.76 2h3j s PRO 73 Cb 0.05 -1.59 -0.10 0.00 0.02 0.00 0.00 34.50 32.88 2h3j s PRO 73 CO -0.06 -3.52 1.61 -0.07 -0.33 0.00 0.00 177.00 174.63 2h3j h LEU 74 N -2.48 -1.00 0.00 -5.54 3.38 -1.79 -3.37 115.31 104.51 2h3j h LEU 74 Ca -0.58 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2h3j h LEU 74 Cb 1.32 0.37 0.00 0.00 0.09 0.00 0.00 40.66 42.44 2h3j h LEU 74 CO 0.49 -0.45 0.00 -0.67 0.09 0.00 0.00 178.44 177.90