#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 4.75 -1.26 6.12 0.01 -1.26 -5.03 113.70 117.03 2h3j s SER 2 Ca 0.00 -0.15 -0.17 0.00 1.31 0.00 0.00 55.95 56.94 2h3j s SER 2 Cb 0.00 -1.78 0.10 0.00 0.21 0.00 0.00 66.02 64.55 2h3j s SER 2 CO 0.00 0.16 1.63 0.00 0.41 0.00 0.00 173.24 175.44 2h3j s ALA 3 N 0.44 3.51 -0.30 1.44 0.00 -1.26 -4.95 121.76 120.64 2h3j s ALA 3 Ca -0.04 -3.04 -0.11 0.00 0.00 0.00 0.00 51.96 48.78 2h3j s ALA 3 Cb -0.14 -4.48 -0.03 0.00 0.00 0.00 0.00 23.12 18.47 2h3j s ALA 3 CO 0.03 -3.14 0.18 -1.17 0.00 0.00 0.00 175.76 171.66 2h3j s LEU 4 N 3.42 4.11 -0.30 0.00 0.20 -1.26 -4.90 118.68 119.95 2h3j s LEU 4 Ca 0.50 -0.25 0.02 0.00 0.69 0.00 0.00 54.13 55.09 2h3j s LEU 4 Cb 0.02 -2.08 0.16 0.00 -0.43 0.00 0.00 46.19 43.86 2h3j s LEU 4 CO 0.05 -0.13 0.40 -1.58 -0.29 0.00 0.00 176.35 174.80 2h3j s GLN 5 N 1.70 0.44 0.73 1.98 0.74 -1.26 -5.16 119.66 118.84 2h3j s GLN 5 Ca 0.06 -0.03 -0.11 0.00 0.05 0.00 0.00 55.36 55.33 2h3j s GLN 5 Cb -0.16 -0.38 0.03 0.00 1.10 0.00 0.00 33.01 33.60 2h3j s GLN 5 CO 0.09 -1.06 1.07 -1.25 -0.55 0.00 0.00 175.29 173.59 2h3j s PRO 6 N 2.38 2.62 0.00 1.67 0.04 -1.26 -4.73 135.00 135.72 2h3j s PRO 6 Ca 0.11 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2h3j s PRO 6 Cb -0.13 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2h3j s PRO 6 CO -0.27 -1.31 0.00 0.45 0.04 0.00 0.00 177.00 175.91 2h3j n SER 7 N -3.27 0.00 -4.41 6.66 2.88 -1.02 -5.01 113.62 109.45 2h3j n SER 7 Ca 0.08 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.41 2h3j n SER 7 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.53 1.54 0.02 -1.46 0.52 -1.26 -4.99 118.95 112.79 2h3j s ARG 8 Ca 0.00 -1.82 0.08 0.00 -0.52 0.00 0.00 55.73 53.47 2h3j s ARG 8 Cb 0.00 -0.84 -0.02 0.00 0.52 0.00 0.00 34.95 34.61 2h3j s ARG 8 CO 0.00 -0.12 -0.24 -1.12 0.02 0.00 0.00 175.30 173.84 2h3j s SER 9 N -3.42 2.83 -0.05 0.23 0.01 -1.26 -1.63 113.70 110.42 2h3j s SER 9 Ca 0.33 -0.51 0.05 0.00 1.31 0.00 0.00 55.95 57.13 2h3j s SER 9 Cb 0.07 -0.27 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 2h3j s SER 9 CO 0.13 0.24 -0.21 -0.31 0.41 0.00 0.00 173.24 173.50 2h3j s TYR 10 N -0.71 2.05 0.16 2.43 1.51 0.41 -1.34 117.35 121.86 2h3j s TYR 10 Ca 0.10 -0.58 0.05 0.00 -1.01 0.00 0.00 57.07 55.63 2h3j s TYR 10 Cb -0.09 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 2h3j s TYR 10 CO 0.01 -0.18 0.09 -0.98 -1.11 0.00 0.00 175.55 173.38 2h3j s ARG 11 N -0.10 2.76 -0.35 -0.62 1.70 0.98 0.19 118.95 123.51 2h3j s ARG 11 Ca -0.03 -0.91 -0.14 0.00 -0.47 0.00 0.00 55.73 54.18 2h3j s ARG 11 Cb -0.12 -2.58 -0.01 0.00 -0.57 0.00 0.00 34.95 31.67 2h3j s ARG 11 CO 0.03 0.49 0.28 0.42 -1.08 0.00 0.00 175.30 175.44 2h3j s ILE 12 N -1.70 5.25 -0.36 4.99 1.01 -0.14 -0.86 121.20 129.39 2h3j s ILE 12 Ca 0.30 -0.21 0.23 0.00 0.00 0.00 0.00 60.65 60.97 2h3j s ILE 12 Cb -0.10 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.61 2h3j s ILE 12 CO 0.22 -0.08 1.13 0.00 0.00 0.00 0.00 174.94 176.21 2h3j h THR 13 N 5.53 0.00 0.00 2.92 1.03 -1.60 0.95 112.91 121.73 2h3j h THR 13 Ca -0.30 -0.84 0.00 0.00 -0.01 0.00 0.00 66.41 65.25 2h3j h THR 13 Cb 1.15 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 69.60 2h3j h THR 13 CO 0.66 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.78 2h3j n GLY 14 N 1.23 -1.19 3.90 2.99 0.00 -1.21 -4.72 105.19 106.18 2h3j n GLY 14 Ca 0.01 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.00 3.36 0.37 1.61 2.02 -1.26 -0.28 117.35 120.16 2h3j s TYR 15 Ca 0.00 0.05 -0.25 0.00 -0.37 0.00 0.00 57.07 56.50 2h3j s TYR 15 Cb 0.00 -1.59 -0.09 0.00 -0.40 0.00 0.00 41.96 39.87 2h3j s TYR 15 CO 0.00 0.51 1.02 -1.12 -1.57 0.00 0.00 175.55 174.39 2h3j s SER 16 N -3.32 6.99 0.00 2.29 0.01 0.43 -4.63 113.70 115.47 2h3j s SER 16 Ca 0.33 1.99 0.04 0.00 1.31 0.00 0.00 55.95 59.63 2h3j s SER 16 Cb -0.10 -2.59 0.27 0.00 0.21 0.00 0.00 66.02 63.81 2h3j s SER 16 CO 0.27 -0.33 0.73 -2.65 0.41 0.00 0.00 173.24 171.67 2h3j n PRO 17 N 0.23 0.15 -0.10 12.44 -0.02 -1.26 -1.53 135.00 144.90 2h3j n PRO 17 Ca 0.04 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.63 2h3j n PRO 17 Cb 0.49 -1.48 0.29 0.00 -0.02 0.00 0.00 33.50 32.78 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 -0.98 2.48 -2.68 3.55 0.00 -1.26 -4.89 120.51 116.73 2h3j n ALA 18 Ca 0.03 -0.72 -0.41 0.00 0.00 0.00 0.00 53.44 52.35 2h3j n ALA 18 Cb 0.02 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.73 4.90 0.24 0.00 2.07 -0.58 -5.01 121.20 121.09 2h3j s ILE 19 Ca 0.35 1.61 -0.06 0.00 -1.41 0.00 0.00 60.65 61.13 2h3j s ILE 19 Cb 0.20 -4.13 0.03 0.00 0.13 0.00 0.00 42.46 38.69 2h3j s ILE 19 CO 0.29 0.06 0.43 -1.20 -1.91 0.00 0.00 174.94 172.61 2h3j n SER 20 N 5.01 -1.23 -1.87 4.50 7.64 -1.26 -4.96 113.62 121.45 2h3j n SER 20 Ca 0.04 -2.05 -0.17 0.00 1.01 0.00 0.00 58.87 57.69 2h3j n SER 20 Cb 0.49 2.11 -0.01 0.00 -1.01 0.00 0.00 64.21 65.78 2h3j n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2h3j n ASN 21 N -1.49 -4.97 0.00 6.43 5.15 -1.26 -1.78 115.26 117.34 2h3j n ASN 21 Ca -0.03 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 2h3j n ASN 21 Cb 0.37 -4.06 0.00 0.00 -0.53 0.00 0.00 39.78 35.56 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 -1.01 0.73 0.28 8.20 0.00 -1.26 -4.90 105.19 107.23 2h3j n GLY 22 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 2h3j n GLY 22 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2h3j h TYR 23 N 0.00 0.00 -0.66 1.61 -1.99 -1.73 -1.39 116.97 112.81 2h3j h TYR 23 Ca 0.00 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 2h3j h TYR 23 Cb 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 2h3j h TYR 23 CO 0.00 0.05 0.13 -0.09 -0.00 0.00 0.00 178.16 178.24 2h3j h ARG 24 N 0.00 1.08 -0.55 4.88 2.43 -1.91 -0.65 114.38 119.66 2h3j h ARG 24 Ca -0.00 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 2h3j h ARG 24 Cb 0.10 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2h3j h ARG 24 CO 0.01 0.98 0.30 1.96 -1.51 0.00 0.00 179.97 181.71 2h3j h GLN 25 N 1.00 0.77 -0.69 0.20 4.20 -1.67 0.28 115.11 119.20 2h3j h GLN 25 Ca 0.20 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2h3j h GLN 25 Cb 0.41 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2h3j h GLN 25 CO 0.01 0.60 0.43 -0.09 -0.67 0.00 0.00 178.83 179.10 2h3j h ARG 26 N 0.74 0.93 -0.30 1.46 2.43 -1.25 -0.67 114.38 117.71 2h3j h ARG 26 Ca 0.19 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 2h3j h ARG 26 Cb 0.05 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2h3j h ARG 26 CO -0.03 0.65 -0.37 -0.07 -1.51 0.00 0.00 179.97 178.64 2h3j h LEU 27 N 0.94 0.85 -0.35 3.80 3.38 -0.66 -2.07 115.31 121.19 2h3j h LEU 27 Ca 0.25 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2h3j h LEU 27 Cb -0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2h3j h LEU 27 CO -0.05 1.17 0.23 0.15 0.09 0.00 0.00 178.44 180.03 2h3j h PHE 28 N 0.54 0.45 0.00 1.13 3.57 -0.18 0.30 116.94 122.76 2h3j h PHE 28 Ca 0.04 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 2h3j h PHE 28 Cb 0.96 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2h3j h PHE 28 CO 0.07 0.30 -0.23 0.77 -2.23 0.00 0.00 178.31 176.99 2h3j h SER 29 N 0.47 0.00 0.69 0.41 0.02 -1.09 -1.27 113.55 112.79 2h3j h SER 29 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2h3j h SER 29 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2h3j h SER 29 CO -0.03 0.23 -0.23 0.23 -1.14 0.00 0.00 176.83 175.89 2h3j n MET 30 N -4.02 0.10 -0.26 3.45 2.81 -0.71 -4.92 117.12 113.56 2h3j n MET 30 Ca -0.02 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 2h3j n MET 30 Cb 0.31 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 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 1.47 1.25 3.11 3.03 0.00 -0.19 -5.05 105.19 108.80 2h3j n GLY 31 Ca 0.07 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 5.28 0.07 0.99 1.43 0.87 -4.99 118.68 122.34 2h3j s LEU 32 Ca 0.00 -2.54 0.00 0.00 -1.03 0.00 0.00 54.13 50.57 2h3j s LEU 32 Cb 0.00 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2h3j s LEU 32 CO 0.00 -0.44 -0.05 -1.48 0.23 0.00 0.00 176.35 174.61 2h3j s LEU 33 N 0.40 2.49 0.31 1.79 2.34 -1.26 -3.83 118.68 120.92 2h3j s LEU 33 Ca 0.14 -0.98 -0.29 0.00 0.06 0.00 0.00 54.13 53.05 2h3j s LEU 33 Cb -0.21 0.06 -0.10 0.00 -0.56 0.00 0.00 46.19 45.38 2h3j s LEU 33 CO -0.04 -0.52 1.35 -2.84 -1.06 0.00 0.00 176.35 173.24 2h3j s PRO 34 N -3.79 4.32 0.00 1.48 0.02 -1.26 -2.94 135.00 132.83 2h3j s PRO 34 Ca 0.08 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.36 2h3j s PRO 34 Cb 0.06 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2h3j s PRO 34 CO -0.07 -0.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 2h3j n GLY 35 N 1.13 0.47 1.90 0.52 0.00 0.33 -4.97 105.19 104.56 2h3j n GLY 35 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.94 0.54 -3.50 4.61 0.00 -1.15 -4.94 120.51 114.13 2h3j n ALA 36 Ca 0.00 -1.05 -0.17 0.00 0.00 0.00 0.00 53.44 52.22 2h3j n ALA 36 Cb 0.00 0.34 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.36 -1.73 -0.01 0.00 0.00 -1.26 -0.96 121.76 115.43 2h3j s ALA 37 Ca 0.25 1.20 0.03 0.00 0.00 0.00 0.00 51.96 53.43 2h3j s ALA 37 Cb -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 2h3j s ALA 37 CO 0.16 -0.42 -0.10 -0.51 0.00 0.00 0.00 175.76 174.89 2h3j s LEU 38 N -1.39 1.94 -0.17 0.00 1.43 0.13 -4.80 118.68 115.82 2h3j s LEU 38 Ca -0.10 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2h3j s LEU 38 Cb -0.00 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 2h3j s LEU 38 CO 0.07 0.11 -0.05 -0.60 0.23 0.00 0.00 176.35 176.11 2h3j s ARG 39 N -0.09 3.56 0.08 1.70 3.52 -0.62 -0.45 118.95 126.65 2h3j s ARG 39 Ca 0.01 -0.57 -0.31 0.00 -0.13 0.00 0.00 55.73 54.74 2h3j s ARG 39 Cb -0.06 -2.91 -0.08 0.00 -1.56 0.00 0.00 34.95 30.35 2h3j s ARG 39 CO -0.00 0.13 1.60 0.54 -0.81 0.00 0.00 175.30 176.76 2h3j s VAL 40 N 0.65 3.06 -0.19 7.11 0.11 -0.64 0.38 120.40 130.87 2h3j s VAL 40 Ca -0.03 0.56 -0.15 0.00 -2.93 0.00 0.00 61.98 59.43 2h3j s VAL 40 Cb -0.15 -3.36 -0.07 0.00 -1.53 0.00 0.00 36.38 31.27 2h3j s VAL 40 CO 0.02 0.01 -0.27 0.52 -3.33 0.00 0.00 175.10 172.05 2h3j n VAL 41 N 4.57 1.49 -3.85 2.04 0.31 0.16 -2.44 118.33 120.60 2h3j n VAL 41 Ca 0.15 0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.45 2h3j n VAL 41 Cb 0.41 -2.27 -0.07 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 -2.64 0.81 -0.01 5.55 0.52 -0.42 -4.36 118.95 118.40 2h3j s ARG 42 Ca -0.27 -0.88 0.07 0.00 -0.52 0.00 0.00 55.73 54.12 2h3j s ARG 42 Cb 0.05 0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.83 2h3j s ARG 42 CO 0.40 -0.25 -0.21 0.42 0.02 0.00 0.00 175.30 175.67 2h3j s ILE 43 N -3.57 2.47 0.53 1.52 1.01 -1.26 -0.15 121.20 121.75 2h3j s ILE 43 Ca 0.03 -1.04 -0.19 0.00 0.00 0.00 0.00 60.65 59.45 2h3j s ILE 43 Cb 0.04 -1.93 -0.06 0.00 0.01 0.00 0.00 42.46 40.51 2h3j s ILE 43 CO -0.09 0.52 1.09 0.00 0.00 0.00 0.00 174.94 176.45 2h3j s ALA 44 N -0.72 2.75 0.44 9.38 0.00 -1.21 -4.91 121.76 127.49 2h3j s ALA 44 Ca 0.11 0.68 0.28 0.00 0.00 0.00 0.00 51.96 53.03 2h3j s ALA 44 Cb -0.10 -3.30 1.53 0.00 0.00 0.00 0.00 23.12 21.24 2h3j s ALA 44 CO 0.01 -0.63 1.84 -1.35 0.00 0.00 0.00 175.76 175.63 2h3j h PRO 45 N 1.19 0.00 0.00 0.00 0.11 -1.91 -2.46 132.00 128.92 2h3j h PRO 45 Ca -0.49 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.31 2h3j h PRO 45 Cb 1.24 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 2h3j h PRO 45 CO 0.58 0.00 -2.16 1.28 -0.21 0.00 0.00 178.00 177.48 2h3j n LEU 46 N -2.68 0.46 0.00 2.35 4.77 -1.26 -5.00 117.00 115.64 2h3j n LEU 46 Ca -0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2h3j n LEU 46 Cb 0.28 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2h3j n LEU 46 CO 0.12 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2h3j n GLY 47 N 2.04 0.99 3.47 -0.72 0.00 -0.93 -5.10 105.19 104.94 2h3j n GLY 47 Ca -0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.04 0.72 0.00 1.61 1.11 -1.26 -4.78 116.67 113.02 2h3j s ASP 48 Ca 0.00 1.45 0.00 0.00 0.18 0.00 0.00 52.55 54.18 2h3j s ASP 48 Cb 0.00 -2.24 0.00 0.00 1.07 0.00 0.00 42.92 41.75 2h3j s ASP 48 CO 0.00 -4.35 0.00 -2.65 1.18 0.00 0.00 175.17 169.35 2h3j n PRO 49 N -5.01 0.00 -5.00 8.23 -0.01 -1.26 -4.06 135.00 127.89 2h3j n PRO 49 Ca 0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 63.50 63.25 2h3j n PRO 49 Cb 0.55 0.00 -0.15 0.00 -0.01 0.00 0.00 33.50 33.88 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 0.00 1.66 -0.41 4.25 1.01 -1.25 -3.36 121.20 123.10 2h3j s ILE 50 Ca 0.00 -0.92 -0.26 0.00 0.00 0.00 0.00 60.65 59.47 2h3j s ILE 50 Cb 0.00 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 41.11 2h3j s ILE 50 CO 0.00 0.45 0.93 -1.58 0.00 0.00 0.00 174.94 174.74 2h3j s GLN 51 N -0.54 3.72 0.40 2.79 0.74 0.79 -4.06 119.66 123.49 2h3j s GLN 51 Ca 0.08 0.42 0.08 0.00 0.05 0.00 0.00 55.36 55.99 2h3j s GLN 51 Cb -0.08 -3.85 -0.07 0.00 1.10 0.00 0.00 33.01 30.10 2h3j s GLN 51 CO -0.01 -1.06 0.00 0.14 -0.55 0.00 0.00 175.29 173.82 2h3j s VAL 52 N 3.60 2.09 0.02 1.34 -7.23 0.25 0.40 120.40 120.87 2h3j s VAL 52 Ca 0.38 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.60 2h3j s VAL 52 Cb -0.11 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 2h3j s VAL 52 CO 0.22 -0.04 -0.19 -0.70 -0.31 0.00 0.00 175.10 174.08 2h3j s GLU 53 N -3.71 1.39 -0.17 4.82 2.12 0.16 0.07 118.70 123.38 2h3j s GLU 53 Ca 0.35 -0.78 -0.15 0.00 0.36 0.00 0.00 54.97 54.74 2h3j s GLU 53 Cb 0.08 -1.41 -0.06 0.00 0.26 0.00 0.00 34.13 33.00 2h3j s GLU 53 CO 0.18 0.37 -0.29 2.41 -0.54 0.00 0.00 175.26 177.39 2h3j n THR 54 N 2.23 1.48 0.00 -1.70 -1.04 -1.02 -1.59 114.28 112.64 2h3j n THR 54 Ca -0.16 0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2h3j n THR 54 Cb 0.54 -2.34 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 2h3j n THR 54 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2h3j n ARG 55 N -4.50 0.00 0.00 -2.82 1.74 -1.26 -4.90 116.66 104.92 2h3j n ARG 55 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 2h3j n ARG 55 Cb 0.46 -0.46 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2h3j n ARG 55 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2h3j n GLN 56 N -1.02 0.00 -2.11 5.56 7.27 -1.26 -5.11 117.38 120.71 2h3j n GLN 56 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 2h3j n GLN 56 Cb 0.00 -0.22 -0.03 0.00 2.41 0.00 0.00 30.24 32.40 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 -1.00 2.89 -0.14 1.69 2.01 -1.26 -5.00 115.64 114.84 2h3j s THR 57 Ca 0.00 0.75 -0.12 0.00 0.31 0.00 0.00 61.69 62.63 2h3j s THR 57 Cb 0.00 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 2h3j s THR 57 CO 0.00 0.12 0.26 -0.44 -0.69 0.00 0.00 174.62 173.87 2h3j s SER 58 N 0.30 6.45 0.09 3.53 0.01 -1.26 -2.42 113.70 120.40 2h3j s SER 58 Ca 0.58 0.53 0.08 0.00 1.31 0.00 0.00 55.95 58.45 2h3j s SER 58 Cb -0.39 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2h3j s SER 58 CO 0.42 0.20 -0.17 -0.76 0.41 0.00 0.00 173.24 173.33 2h3j s LEU 59 N -0.04 2.69 -0.17 2.44 1.02 0.11 -4.91 118.68 119.82 2h3j s LEU 59 Ca 0.16 -0.49 -0.04 0.00 0.02 0.00 0.00 54.13 53.78 2h3j s LEU 59 Cb -0.13 -1.55 0.08 0.00 0.02 0.00 0.00 46.19 44.61 2h3j s LEU 59 CO 0.04 0.21 0.23 0.00 0.02 0.00 0.00 176.35 176.85 2h3j s ALA 60 N -1.06 -0.36 0.06 4.21 0.00 -1.26 -0.58 121.76 122.77 2h3j s ALA 60 Ca 0.17 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.65 2h3j s ALA 60 Cb -0.11 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 2h3j s ALA 60 CO 0.08 -0.96 -0.07 -0.48 0.00 0.00 0.00 175.76 174.33 2h3j s LEU 61 N 2.35 2.35 1.03 0.00 0.05 -1.26 -4.95 118.68 118.25 2h3j s LEU 61 Ca 0.05 -0.71 -0.12 0.00 0.05 0.00 0.00 54.13 53.40 2h3j s LEU 61 Cb -0.14 -0.13 0.21 0.00 -2.05 0.00 0.00 46.19 44.08 2h3j s LEU 61 CO -0.10 -0.30 1.07 -0.13 -0.55 0.00 0.00 176.35 176.34 2h3j s ARG 62 N -2.39 0.17 0.18 1.48 1.81 -1.26 -3.87 118.95 115.07 2h3j s ARG 62 Ca -0.02 0.92 0.03 0.00 -1.72 0.00 0.00 55.73 54.93 2h3j s ARG 62 Cb -0.04 -1.68 0.05 0.00 -0.45 0.00 0.00 34.95 32.83 2h3j s ARG 62 CO -0.02 -3.01 1.42 0.00 -0.68 0.00 0.00 175.30 173.01 2h3j h ARG 63 N -2.11 0.22 -0.99 3.54 3.08 -1.94 0.23 114.38 116.41 2h3j h ARG 63 Ca -0.54 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 59.34 2h3j h ARG 63 Cb 1.31 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.35 2h3j h ARG 63 CO 0.51 0.92 0.65 0.87 -1.07 0.00 0.00 179.97 181.84 2h3j h LYS 64 N 0.13 1.19 -0.03 0.04 1.57 -1.99 0.21 116.57 117.70 2h3j h LYS 64 Ca -0.04 -0.07 -0.26 0.00 -1.87 0.00 0.00 60.65 58.41 2h3j h LYS 64 Cb 1.41 -0.27 0.02 0.00 0.08 0.00 0.00 32.23 33.47 2h3j h LYS 64 CO 0.13 0.79 -0.99 0.22 -0.57 0.00 0.00 179.45 179.03 2h3j h ASP 65 N 1.23 0.92 0.28 0.86 3.58 -1.87 -3.15 116.42 118.27 2h3j h ASP 65 Ca 0.40 -0.72 -0.03 0.00 0.42 0.00 0.00 57.03 57.10 2h3j h ASP 65 Cb 0.05 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.81 2h3j h ASP 65 CO -0.13 1.51 -0.14 0.25 -2.88 0.00 0.00 179.24 177.85 2h3j h LEU 66 N 0.41 0.00 -1.76 2.28 5.85 -0.51 -1.19 115.31 120.39 2h3j h LEU 66 Ca -0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2h3j h LEU 66 Cb 1.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.67 2h3j h LEU 66 CO 0.20 0.14 0.00 0.00 -0.34 0.00 0.00 178.44 178.43 2h3j h ALA 67 N 1.86 1.00 0.00 1.25 0.00 -0.56 -2.08 119.26 120.73 2h3j h ALA 67 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2h3j h ALA 67 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2h3j h ALA 67 CO 0.02 0.00 -0.34 -0.07 0.00 0.00 0.00 179.25 178.86 2h3j h LEU 68 N 0.00 0.00 -9.32 0.00 3.38 -1.30 -3.42 115.31 104.65 2h3j h LEU 68 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 2h3j h LEU 68 Cb 0.39 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.03 2h3j h LEU 68 CO 0.00 0.34 -0.41 -0.76 0.09 0.00 0.00 178.44 177.70 2h3j s LEU 69 N -6.84 4.24 -0.36 1.67 1.43 -0.78 -0.43 118.68 117.60 2h3j s LEU 69 Ca 0.01 0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 53.28 2h3j s LEU 69 Cb 0.10 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 44.10 2h3j s LEU 69 CO 0.68 0.16 0.71 -0.89 0.23 0.00 0.00 176.35 177.24 2h3j s THR 70 N 0.28 4.81 0.00 5.49 2.01 0.62 -4.74 115.64 124.10 2h3j s THR 70 Ca 0.13 0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.86 2h3j s THR 70 Cb -0.12 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 2h3j s THR 70 CO 0.01 -0.39 -0.06 -0.76 -0.69 0.00 0.00 174.62 172.73 2h3j s LEU 71 N 2.90 3.19 -0.02 4.42 1.43 -1.26 -1.55 118.68 127.79 2h3j s LEU 71 Ca 0.28 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 2h3j s LEU 71 Cb -0.14 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.27 2h3j s LEU 71 CO 0.16 0.28 -0.03 0.68 0.23 0.00 0.00 176.35 177.67 2h3j s VAL 72 N -1.00 0.32 0.79 -1.59 -7.23 -0.04 -4.93 120.40 106.72 2h3j s VAL 72 Ca 0.17 -0.10 -0.11 0.00 -1.81 0.00 0.00 61.98 60.13 2h3j s VAL 72 Cb -0.11 -0.33 0.07 0.00 0.56 0.00 0.00 36.38 36.57 2h3j s VAL 72 CO 0.08 0.13 1.09 -2.84 -0.31 0.00 0.00 175.10 173.24 2h3j s PRO 73 N 0.39 2.14 0.02 4.82 0.02 -1.26 -0.01 135.00 141.11 2h3j s PRO 73 Ca -0.04 0.85 -0.05 0.00 0.02 0.00 0.00 61.00 61.78 2h3j s PRO 73 Cb -0.07 -1.91 -0.29 0.00 0.02 0.00 0.00 34.50 32.25 2h3j s PRO 73 CO -0.01 -1.63 0.94 -0.07 -0.33 0.00 0.00 177.00 175.90 2h3j h LEU 74 N -1.11 0.45 0.00 -5.54 3.38 -1.57 -3.44 115.31 107.48 2h3j h LEU 74 Ca -0.46 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 56.95 2h3j h LEU 74 Cb 1.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2h3j h LEU 74 CO 0.56 1.46 0.00 -0.67 0.09 0.00 0.00 178.44 179.88