#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 -4.48 -4.15 7.83 7.64 -1.26 -5.02 113.62 114.18 2h3j n SER 2 Ca 0.00 -0.15 -0.32 0.00 1.01 0.00 0.00 58.87 59.41 2h3j n SER 2 Cb 0.00 -3.42 -0.17 0.00 -1.01 0.00 0.00 64.21 59.62 2h3j n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h3j s ALA 3 N -2.90 2.12 0.33 -0.43 0.00 -1.26 -5.11 121.76 114.51 2h3j s ALA 3 Ca 0.16 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 2h3j s ALA 3 Cb -0.07 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.13 2h3j s ALA 3 CO 0.19 0.00 0.49 1.47 0.00 0.00 0.00 175.76 177.92 2h3j n LEU 4 N 4.02 0.00 -3.17 0.00 -0.00 -1.26 -5.10 117.00 111.50 2h3j n LEU 4 Ca -0.20 -2.58 -0.13 0.00 -0.00 0.00 0.00 56.01 53.10 2h3j n LEU 4 Cb 0.52 2.52 -0.05 0.00 -0.00 0.00 0.00 43.42 46.41 2h3j n LEU 4 CO 0.26 -0.63 -0.08 -1.58 -0.00 0.00 0.00 177.39 175.36 2h3j s GLN 5 N -2.63 0.86 0.64 1.47 0.74 -1.04 -5.02 119.66 114.68 2h3j s GLN 5 Ca 0.25 -1.17 -0.02 0.00 0.05 0.00 0.00 55.36 54.47 2h3j s GLN 5 Cb -0.01 -0.59 0.07 0.00 1.10 0.00 0.00 33.01 33.57 2h3j s GLN 5 CO 0.18 -1.29 0.90 -1.25 -0.55 0.00 0.00 175.29 173.28 2h3j s PRO 6 N 0.96 2.21 0.00 1.67 0.04 -0.97 -3.33 135.00 135.58 2h3j s PRO 6 Ca 0.25 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.58 2h3j s PRO 6 Cb -0.05 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.14 2h3j s PRO 6 CO -0.08 -1.06 0.00 0.45 0.04 0.00 0.00 177.00 176.35 2h3j n SER 7 N -2.64 0.00 -2.08 6.66 2.88 -1.24 -5.02 113.62 112.19 2h3j n SER 7 Ca 0.10 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.55 2h3j n SER 7 Cb 0.60 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.03 2h3j n SER 7 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2h3j n ARG 8 N -0.46 0.28 -3.97 -1.46 1.74 -1.26 -4.97 116.66 106.56 2h3j n ARG 8 Ca 0.00 -1.56 -0.34 0.00 -0.77 0.00 0.00 57.85 55.18 2h3j n ARG 8 Cb 0.00 1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 32.76 2h3j n ARG 8 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2h3j s SER 9 N -2.14 6.14 -0.11 0.55 0.01 -1.26 -1.72 113.70 115.17 2h3j s SER 9 Ca 0.18 0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.77 2h3j s SER 9 Cb 0.00 -1.89 0.01 0.00 0.21 0.00 0.00 66.02 64.35 2h3j s SER 9 CO 0.13 0.29 -0.21 -0.31 0.41 0.00 0.00 173.24 173.54 2h3j s TYR 10 N -1.24 2.39 0.35 2.43 2.02 0.11 -2.22 117.35 121.20 2h3j s TYR 10 Ca 0.24 -1.06 -0.06 0.00 -0.37 0.00 0.00 57.07 55.82 2h3j s TYR 10 Cb -0.12 -1.63 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 2h3j s TYR 10 CO 0.15 -0.46 0.64 1.03 -1.57 0.00 0.00 175.55 175.34 2h3j s ARG 11 N 0.58 3.65 -0.35 -0.62 0.52 0.56 0.30 118.95 123.59 2h3j s ARG 11 Ca -0.14 0.12 -0.09 0.00 -0.52 0.00 0.00 55.73 55.10 2h3j s ARG 11 Cb -0.17 -2.55 0.02 0.00 0.52 0.00 0.00 34.95 32.78 2h3j s ARG 11 CO 0.04 0.09 0.17 0.42 0.02 0.00 0.00 175.30 176.04 2h3j s ILE 12 N -2.26 4.37 -0.35 1.52 1.01 0.29 0.12 121.20 125.90 2h3j s ILE 12 Ca 0.46 -0.83 0.21 0.00 0.00 0.00 0.00 60.65 60.49 2h3j s ILE 12 Cb -0.10 -3.39 0.23 0.00 0.01 0.00 0.00 42.46 39.21 2h3j s ILE 12 CO 0.33 -0.15 1.50 0.71 0.00 0.00 0.00 174.94 177.33 2h3j h THR 13 N 5.90 0.21 0.00 2.92 1.35 -1.59 0.30 112.91 122.00 2h3j h THR 13 Ca -0.27 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 2h3j h THR 13 Cb 1.11 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 2h3j h THR 13 CO 0.64 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 2h3j n GLY 14 N 1.14 -0.46 3.38 5.82 0.00 -1.05 -4.65 105.19 109.37 2h3j n GLY 14 Ca 0.03 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 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 1.93 0.29 1.61 2.02 -1.26 -0.96 117.35 116.98 2h3j s TYR 15 Ca 0.00 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 55.94 2h3j s TYR 15 Cb 0.00 -0.91 -0.12 0.00 -0.40 0.00 0.00 41.96 40.54 2h3j s TYR 15 CO 0.00 0.44 1.59 0.43 -1.57 0.00 0.00 175.55 176.45 2h3j n SER 16 N -0.14 3.83 -0.31 2.29 7.64 0.32 -4.62 113.62 122.63 2h3j n SER 16 Ca -0.09 1.14 0.35 0.00 1.01 0.00 0.00 58.87 61.28 2h3j n SER 16 Cb 0.59 -1.59 0.75 0.00 -1.01 0.00 0.00 64.21 62.95 2h3j n SER 16 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2h3j h PRO 17 N 4.82 0.00 -0.33 1.43 0.11 -1.94 -0.47 132.00 135.61 2h3j h PRO 17 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2h3j h PRO 17 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2h3j h PRO 17 CO 0.80 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 2h3j n ALA 18 N -2.75 2.48 -2.51 -0.75 0.00 -1.26 -4.82 120.51 110.90 2h3j n ALA 18 Ca 0.25 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 2h3j n ALA 18 Cb 1.24 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.60 4.26 -0.30 0.00 2.07 -0.19 -4.93 121.20 120.52 2h3j s ILE 19 Ca 0.21 1.42 -0.01 0.00 -1.41 0.00 0.00 60.65 60.86 2h3j s ILE 19 Cb 0.11 -4.30 0.19 0.00 0.13 0.00 0.00 42.46 38.59 2h3j s ILE 19 CO 0.14 -0.55 0.77 -0.44 -1.91 0.00 0.00 174.94 172.94 2h3j s SER 20 N 2.40 -1.16 0.00 4.50 0.01 -1.26 -4.89 113.70 113.31 2h3j s SER 20 Ca 0.52 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2h3j s SER 20 Cb -0.14 1.71 0.00 0.00 0.21 0.00 0.00 66.02 67.80 2h3j s SER 20 CO 0.22 -0.20 0.00 -3.20 0.41 0.00 0.00 173.24 170.46 2h3j n ASN 21 N 5.20 0.00 0.00 2.44 5.15 -1.26 -4.88 115.26 121.91 2h3j n ASN 21 Ca 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 2h3j n ASN 21 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 2h3j n ASN 21 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2h3j n GLY 22 N 0.00 0.83 0.28 8.20 0.00 -1.26 -4.87 105.19 108.37 2h3j n GLY 22 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.29 -0.70 1.61 3.20 -1.93 0.04 116.97 119.47 2h3j h TYR 23 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2h3j h TYR 23 Cb 0.00 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 2h3j h TYR 23 CO 0.00 0.21 0.35 0.00 -1.64 0.00 0.00 178.16 177.07 2h3j h ARG 24 N 0.30 1.01 -0.24 1.82 3.08 -1.90 -0.75 114.38 117.70 2h3j h ARG 24 Ca 0.08 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 2h3j h ARG 24 Cb 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2h3j h ARG 24 CO -0.01 0.79 -0.28 1.96 -1.07 0.00 0.00 179.97 181.35 2h3j h GLN 25 N 0.98 0.48 -0.52 0.04 4.20 -1.42 0.37 115.11 119.24 2h3j h GLN 25 Ca 0.24 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 2h3j h GLN 25 Cb 0.11 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2h3j h GLN 25 CO -0.03 0.72 0.15 -0.09 -0.67 0.00 0.00 178.83 178.91 2h3j h ARG 26 N 0.42 0.82 -0.28 1.46 9.65 -0.93 -0.65 114.38 124.87 2h3j h ARG 26 Ca 0.06 -0.19 -0.16 0.00 -1.10 0.00 0.00 59.98 58.59 2h3j h ARG 26 Cb 0.72 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 2h3j h ARG 26 CO 0.05 0.77 -0.46 -0.07 2.80 0.00 0.00 179.97 183.06 2h3j h LEU 27 N 0.72 0.81 -0.96 3.80 3.38 -0.66 -2.10 115.31 120.31 2h3j h LEU 27 Ca 0.17 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2h3j h LEU 27 Cb 0.30 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2h3j h LEU 27 CO -0.00 1.15 0.63 -0.26 0.09 0.00 0.00 178.44 180.05 2h3j h PHE 28 N 0.60 1.19 -0.17 1.13 0.04 -0.10 0.24 116.94 119.87 2h3j h PHE 28 Ca 0.03 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 2h3j h PHE 28 Cb 1.03 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 2h3j h PHE 28 CO 0.05 0.73 -0.32 0.77 -0.60 0.00 0.00 178.31 178.94 2h3j h SER 29 N 1.27 0.34 1.15 2.17 0.02 -0.87 -2.32 113.55 115.31 2h3j h SER 29 Ca 0.36 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 2h3j h SER 29 Cb -0.10 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2h3j h SER 29 CO -0.09 0.65 -0.22 0.24 -1.14 0.00 0.00 176.83 176.27 2h3j h MET 30 N 0.29 0.00 0.00 3.45 2.86 -0.67 -3.47 114.93 117.39 2h3j h MET 30 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2h3j h MET 30 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2h3j h MET 30 CO 0.05 0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.65 2h3j n GLY 31 N 0.42 1.29 3.30 8.32 0.00 -0.41 -5.07 105.19 113.04 2h3j n GLY 31 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 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 6.33 0.11 0.99 1.43 0.70 -4.98 118.68 123.25 2h3j s LEU 32 Ca 0.00 -2.22 0.05 0.00 -1.03 0.00 0.00 54.13 50.93 2h3j s LEU 32 Cb 0.00 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2h3j s LEU 32 CO 0.00 -0.70 -0.12 -1.48 0.23 0.00 0.00 176.35 174.27 2h3j s LEU 33 N 0.91 2.40 0.01 1.79 2.34 -1.26 -3.67 118.68 121.20 2h3j s LEU 33 Ca 0.10 -0.80 -0.30 0.00 0.06 0.00 0.00 54.13 53.19 2h3j s LEU 33 Cb -0.21 -0.45 -0.08 0.00 -0.56 0.00 0.00 46.19 44.89 2h3j s LEU 33 CO -0.03 -0.19 1.92 -2.84 -1.06 0.00 0.00 176.35 174.16 2h3j s PRO 34 N -2.68 4.10 0.00 1.48 0.02 -1.26 -2.08 135.00 134.58 2h3j s PRO 34 Ca 0.07 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.60 2h3j s PRO 34 Cb -0.04 -4.14 0.00 0.00 0.02 0.00 0.00 34.50 30.34 2h3j s PRO 34 CO 0.02 -0.99 0.00 0.41 -0.33 0.00 0.00 177.00 176.10 2h3j n GLY 35 N 4.53 1.16 0.78 0.52 0.00 0.11 -4.96 105.19 107.33 2h3j n GLY 35 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.32 0.09 -3.40 4.61 0.00 -0.88 -4.88 120.51 115.73 2h3j n ALA 36 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 2h3j n ALA 36 Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.67 -1.33 -0.06 0.00 0.00 -1.26 -0.55 121.76 115.90 2h3j s ALA 37 Ca 0.13 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.12 2h3j s ALA 37 Cb -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.98 2h3j s ALA 37 CO 0.09 -0.31 -0.17 -0.51 0.00 0.00 0.00 175.76 174.86 2h3j s LEU 38 N -0.97 1.87 -0.24 0.00 1.43 0.15 -4.81 118.68 116.11 2h3j s LEU 38 Ca -0.10 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 2h3j s LEU 38 Cb -0.03 -1.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.13 2h3j s LEU 38 CO 0.06 0.12 0.24 -0.60 0.23 0.00 0.00 176.35 176.40 2h3j s ARG 39 N 0.28 4.08 0.04 1.70 3.52 -0.76 0.05 118.95 127.87 2h3j s ARG 39 Ca -0.10 -0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 2h3j s ARG 39 Cb -0.14 -3.56 -0.07 0.00 -1.56 0.00 0.00 34.95 29.62 2h3j s ARG 39 CO 0.04 -0.01 1.45 0.54 -0.81 0.00 0.00 175.30 176.51 2h3j s VAL 40 N 1.26 3.49 -0.24 7.11 0.11 -0.70 -0.45 120.40 130.98 2h3j s VAL 40 Ca 0.11 0.93 -0.07 0.00 -2.93 0.00 0.00 61.98 60.02 2h3j s VAL 40 Cb -0.14 -3.60 -0.17 0.00 -1.53 0.00 0.00 36.38 30.94 2h3j s VAL 40 CO 0.06 0.01 -0.14 0.52 -3.33 0.00 0.00 175.10 172.23 2h3j n VAL 41 N 4.54 1.55 -3.64 2.04 0.31 0.16 -3.64 118.33 119.66 2h3j n VAL 41 Ca 0.13 -0.46 -0.08 0.00 -0.01 0.00 0.00 64.34 63.93 2h3j n VAL 41 Cb 0.43 -1.69 -0.07 0.00 -0.91 0.00 0.00 33.84 31.59 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 -2.50 0.57 -0.12 5.55 3.52 -0.60 -2.28 118.95 123.09 2h3j s ARG 42 Ca -0.34 0.80 -0.19 0.00 -0.13 0.00 0.00 55.73 55.87 2h3j s ARG 42 Cb 0.10 0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 2h3j s ARG 42 CO 0.59 -0.09 0.53 0.42 -0.81 0.00 0.00 175.30 175.93 2h3j s ILE 43 N 0.81 5.15 0.19 4.11 1.09 -1.24 -0.43 121.20 130.88 2h3j s ILE 43 Ca -0.03 1.05 -0.31 0.00 -1.10 0.00 0.00 60.65 60.26 2h3j s ILE 43 Cb -0.05 -3.86 -0.10 0.00 -1.06 0.00 0.00 42.46 37.39 2h3j s ILE 43 CO -0.10 0.29 1.53 0.00 -0.10 0.00 0.00 174.94 176.57 2h3j s ALA 44 N 0.78 3.73 0.45 9.38 0.00 -1.25 -4.87 121.76 129.98 2h3j s ALA 44 Ca 0.28 1.36 0.35 0.00 0.00 0.00 0.00 51.96 53.95 2h3j s ALA 44 Cb -0.16 -3.60 1.93 0.00 0.00 0.00 0.00 23.12 21.29 2h3j s ALA 44 CO 0.12 -0.77 2.08 -1.35 0.00 0.00 0.00 175.76 175.84 2h3j h PRO 45 N 6.29 0.00 0.00 0.00 0.11 -1.94 -0.68 132.00 135.78 2h3j h PRO 45 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2h3j h PRO 45 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2h3j h PRO 45 CO 0.87 0.00 -0.88 -0.07 -0.21 0.00 0.00 178.00 177.72 2h3j h LEU 46 N 0.00 0.00 0.00 2.35 -0.00 -1.98 -3.47 115.31 112.21 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 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 2h3j h LEU 46 CO 0.00 0.05 0.00 0.61 -0.00 0.00 0.00 178.44 179.10 2h3j n GLY 47 N 1.18 1.28 3.53 0.83 0.00 -0.26 -5.08 105.19 106.67 2h3j n GLY 47 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.67 1.27 0.26 1.61 1.11 -1.26 -4.89 116.67 113.10 2h3j s ASP 48 Ca 0.00 1.47 -0.08 0.00 0.18 0.00 0.00 52.55 54.11 2h3j s ASP 48 Cb 0.00 -2.22 -0.07 0.00 1.07 0.00 0.00 42.92 41.70 2h3j s ASP 48 CO 0.00 -4.01 -0.11 -2.65 1.18 0.00 0.00 175.17 169.58 2h3j n PRO 49 N -4.79 0.00 -4.58 8.23 -0.01 -1.26 -4.04 135.00 128.55 2h3j n PRO 49 Ca 0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 63.50 63.19 2h3j n PRO 49 Cb 0.55 -0.45 -0.12 0.00 -0.01 0.00 0.00 33.50 33.46 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 -0.91 3.61 -0.27 4.25 1.01 -1.11 -3.81 121.20 123.98 2h3j s ILE 50 Ca 0.25 -0.48 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 2h3j s ILE 50 Cb -0.20 -2.53 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 2h3j s ILE 50 CO 0.31 0.54 0.85 -1.10 0.00 0.00 0.00 174.94 175.54 2h3j s GLN 51 N -0.08 4.11 0.28 2.79 -0.21 0.43 -2.44 119.66 124.54 2h3j s GLN 51 Ca 0.00 0.87 0.04 0.00 0.02 0.00 0.00 55.36 56.29 2h3j s GLN 51 Cb -0.13 -3.68 -0.06 0.00 1.00 0.00 0.00 33.01 30.14 2h3j s GLN 51 CO 0.03 -0.60 0.01 0.14 -2.12 0.00 0.00 175.29 172.75 2h3j s VAL 52 N 2.96 1.21 0.09 1.09 -7.23 0.93 0.41 120.40 119.86 2h3j s VAL 52 Ca 0.35 -2.04 0.06 0.00 -1.81 0.00 0.00 61.98 58.54 2h3j s VAL 52 Cb -0.15 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 2h3j s VAL 52 CO 0.09 -0.19 -0.15 -0.70 -0.31 0.00 0.00 175.10 173.84 2h3j s GLU 53 N -3.85 0.92 0.05 4.82 -6.30 0.40 0.36 118.70 115.11 2h3j s GLU 53 Ca 0.32 -1.06 -0.00 0.00 -2.50 0.00 0.00 54.97 51.73 2h3j s GLU 53 Cb 0.06 -0.95 -0.00 0.00 0.00 0.00 0.00 34.13 33.24 2h3j s GLU 53 CO 0.12 0.21 -0.01 0.25 0.02 0.00 0.00 175.26 175.85 2h3j n THR 54 N 1.08 0.71 -1.50 -1.70 -2.24 -1.26 -1.82 114.28 107.55 2h3j n THR 54 Ca -0.20 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2h3j n THR 54 Cb 0.55 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 2h3j n THR 54 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2h3j n ARG 55 N -3.09 0.00 0.02 -0.78 0.63 -1.26 -4.98 116.66 107.20 2h3j n ARG 55 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2h3j n ARG 55 Cb 0.01 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.92 2h3j n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2h3j n GLN 56 N 0.00 0.00 -3.63 -0.14 10.64 -1.26 -5.17 117.38 117.82 2h3j n GLN 56 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 2h3j n GLN 56 Cb 0.28 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.65 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 -2.00 0.00 -0.10 -0.39 -1.32 -1.26 -5.14 115.64 105.43 2h3j s THR 57 Ca 0.00 -0.25 -0.28 0.00 -1.21 0.00 0.00 61.69 59.95 2h3j s THR 57 Cb 0.00 -1.72 -0.02 0.00 -1.51 0.00 0.00 72.50 69.25 2h3j s THR 57 CO 0.00 0.00 0.93 -0.94 -2.21 0.00 0.00 174.62 172.40 2h3j s SER 58 N -2.77 7.17 0.08 8.08 1.04 -1.26 -4.19 113.70 121.85 2h3j s SER 58 Ca 0.12 1.43 0.09 0.00 0.48 0.00 0.00 55.95 58.08 2h3j s SER 58 Cb 0.02 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 2h3j s SER 58 CO -0.03 -0.37 -0.24 -0.22 0.98 0.00 0.00 173.24 173.36 2h3j s LEU 59 N 1.73 2.36 -0.17 2.42 2.96 0.16 -4.85 118.68 123.29 2h3j s LEU 59 Ca 0.45 -0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2h3j s LEU 59 Cb -0.18 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 2h3j s LEU 59 CO 0.18 0.22 -0.06 0.00 -1.32 0.00 0.00 176.35 175.38 2h3j s ALA 60 N -0.96 2.86 -0.16 5.97 0.00 -1.25 -0.05 121.76 128.17 2h3j s ALA 60 Ca 0.14 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 2h3j s ALA 60 Cb -0.10 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2h3j s ALA 60 CO 0.05 0.04 0.06 -0.48 0.00 0.00 0.00 175.76 175.43 2h3j s LEU 61 N 0.68 3.87 0.99 0.00 0.05 -1.02 -4.83 118.68 118.42 2h3j s LEU 61 Ca -0.03 0.15 -0.15 0.00 0.05 0.00 0.00 54.13 54.14 2h3j s LEU 61 Cb -0.15 -1.96 0.19 0.00 -2.05 0.00 0.00 46.19 42.22 2h3j s LEU 61 CO 0.02 0.24 1.19 -0.13 -0.55 0.00 0.00 176.35 177.12 2h3j s ARG 62 N -0.01 0.43 0.39 1.48 3.00 -1.26 -2.74 118.95 120.24 2h3j s ARG 62 Ca 0.06 -0.03 0.07 0.00 0.00 0.00 0.00 55.73 55.84 2h3j s ARG 62 Cb -0.12 -1.79 0.78 0.00 0.00 0.00 0.00 34.95 33.83 2h3j s ARG 62 CO 0.01 -2.62 1.97 0.00 0.00 0.00 0.00 175.30 174.67 2h3j h ARG 63 N -1.79 0.44 0.25 3.54 2.47 -1.94 0.16 114.38 117.52 2h3j h ARG 63 Ca -0.47 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.18 2h3j h ARG 63 Cb 1.29 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2h3j h ARG 63 CO 0.48 0.41 -0.12 0.87 0.56 0.00 0.00 179.97 182.16 2h3j h LYS 64 N 0.44 -0.32 -0.66 0.04 1.57 -1.99 -0.81 116.57 114.85 2h3j h LYS 64 Ca 0.11 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2h3j h LYS 64 Cb 0.16 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2h3j h LYS 64 CO -0.01 -0.14 0.28 -0.44 -0.57 0.00 0.00 179.45 178.57 2h3j h ASP 65 N -0.44 0.89 -0.85 0.86 3.32 -1.83 -2.41 116.42 115.97 2h3j h ASP 65 Ca -0.03 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.86 2h3j h ASP 65 Cb 0.34 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2h3j h ASP 65 CO 0.06 0.81 0.55 0.25 -1.72 0.00 0.00 179.24 179.19 2h3j h LEU 66 N 0.92 0.98 -0.75 1.55 5.85 -0.89 0.60 115.31 123.57 2h3j h LEU 66 Ca 0.22 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2h3j h LEU 66 Cb 0.18 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2h3j h LEU 66 CO -0.02 0.72 0.00 0.00 -0.34 0.00 0.00 178.44 178.80 2h3j h ALA 67 N 1.45 1.00 -0.01 1.25 0.00 -0.65 -2.65 119.26 119.65 2h3j h ALA 67 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2h3j h ALA 67 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2h3j h ALA 67 CO -0.06 0.00 -0.25 1.28 0.00 0.00 0.00 179.25 180.21 2h3j n LEU 68 N -2.42 1.49 -4.51 0.00 4.77 -0.37 -4.69 117.00 111.27 2h3j n LEU 68 Ca 0.02 -0.78 -0.34 0.00 -0.03 0.00 0.00 56.01 54.88 2h3j n LEU 68 Cb 0.27 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.24 2h3j n LEU 68 CO 0.23 0.29 -0.38 -0.76 -1.33 0.00 0.00 177.39 175.43 2h3j s LEU 69 N -1.78 3.11 -0.28 2.23 1.43 0.06 -0.52 118.68 122.92 2h3j s LEU 69 Ca 0.11 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 2h3j s LEU 69 Cb 0.11 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 2h3j s LEU 69 CO 0.32 0.26 0.09 -0.89 0.23 0.00 0.00 176.35 176.37 2h3j s THR 70 N -0.21 4.24 0.11 5.49 2.01 -0.13 -4.64 115.64 122.51 2h3j s THR 70 Ca 0.03 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 61.67 2h3j s THR 70 Cb -0.13 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 2h3j s THR 70 CO 0.03 0.17 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.16 2h3j s LEU 71 N 1.57 2.31 -0.09 4.42 1.02 -1.26 -1.54 118.68 125.11 2h3j s LEU 71 Ca 0.04 -0.71 0.00 0.00 0.02 0.00 0.00 54.13 53.49 2h3j s LEU 71 Cb -0.16 -0.91 0.02 0.00 0.02 0.00 0.00 46.19 45.16 2h3j s LEU 71 CO 0.04 0.06 -0.08 0.68 0.02 0.00 0.00 176.35 177.07 2h3j s VAL 72 N -1.23 0.95 0.93 -1.59 -7.23 0.12 -4.89 120.40 107.45 2h3j s VAL 72 Ca 0.08 -0.28 -0.11 0.00 -1.81 0.00 0.00 61.98 59.86 2h3j s VAL 72 Cb -0.10 -0.95 0.15 0.00 0.56 0.00 0.00 36.38 36.04 2h3j s VAL 72 CO 0.05 0.34 1.09 -2.16 -0.31 0.00 0.00 175.10 174.11 2h3j s PRO 73 N 1.42 0.96 0.27 4.82 0.04 -1.26 -0.32 135.00 140.93 2h3j s PRO 73 Ca -0.01 1.01 -0.00 0.00 0.04 0.00 0.00 61.00 62.04 2h3j s PRO 73 Cb -0.13 -1.76 0.51 0.00 0.04 0.00 0.00 34.50 33.15 2h3j s PRO 73 CO -0.04 -2.50 1.82 -0.07 0.04 0.00 0.00 177.00 176.25 2h3j h LEU 74 N -1.74 0.83 0.00 -3.56 3.38 -1.83 -3.44 115.31 108.94 2h3j h LEU 74 Ca -0.49 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2h3j h LEU 74 Cb 1.28 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2h3j h LEU 74 CO 0.51 0.44 0.00 -0.67 0.09 0.00 0.00 178.44 178.81