#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 -0.14 -3.96 7.83 3.41 -1.26 -5.07 113.62 114.43 2h3j n SER 2 Ca 0.00 -0.74 -0.42 0.00 -0.26 0.00 0.00 58.87 57.44 2h3j n SER 2 Cb 0.00 0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2h3j n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h3j n ALA 3 N -0.10 4.89 -3.46 7.33 0.00 -1.26 -4.82 120.51 123.09 2h3j n ALA 3 Ca -0.03 -3.84 -0.11 0.00 0.00 0.00 0.00 53.44 49.46 2h3j n ALA 3 Cb 0.44 -3.56 -0.02 0.00 0.00 0.00 0.00 19.45 16.30 2h3j n ALA 3 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2h3j s LEU 4 N 2.81 -0.51 -0.47 0.00 0.05 -1.26 -4.96 118.68 114.35 2h3j s LEU 4 Ca 0.50 0.05 0.06 0.00 0.05 0.00 0.00 54.13 54.79 2h3j s LEU 4 Cb 0.11 2.40 0.20 0.00 -2.05 0.00 0.00 46.19 46.85 2h3j s LEU 4 CO -0.03 -0.82 0.62 1.67 -0.55 0.00 0.00 176.35 177.23 2h3j n GLN 5 N -0.23 0.50 -3.03 1.48 7.27 0.14 -5.00 117.38 118.51 2h3j n GLN 5 Ca -0.14 -2.45 -0.33 0.00 0.07 0.00 0.00 57.00 54.14 2h3j n GLN 5 Cb 0.63 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.72 2h3j n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2h3j s PRO 6 N 0.36 4.12 0.29 3.69 0.04 -1.20 -4.27 135.00 138.02 2h3j s PRO 6 Ca 0.32 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2h3j s PRO 6 Cb 0.07 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2h3j s PRO 6 CO -0.14 0.14 0.00 0.45 0.04 0.00 0.00 177.00 177.49 2h3j n SER 7 N -0.28 -2.56 -4.96 6.66 2.88 -1.25 -5.06 113.62 109.06 2h3j n SER 7 Ca 0.04 0.67 -0.20 0.00 -1.33 0.00 0.00 58.87 58.05 2h3j n SER 7 Cb 0.53 2.55 0.01 0.00 -0.75 0.00 0.00 64.21 66.54 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 -1.82 2.53 -0.00 -1.46 0.52 -1.26 -4.95 118.95 112.50 2h3j s ARG 8 Ca 0.00 -1.55 0.01 0.00 -0.52 0.00 0.00 55.73 53.67 2h3j s ARG 8 Cb 0.00 -2.51 -0.00 0.00 0.52 0.00 0.00 34.95 32.96 2h3j s ARG 8 CO 0.00 -0.43 -0.03 0.45 0.02 0.00 0.00 175.30 175.31 2h3j s SER 9 N -4.34 0.33 -0.09 0.23 0.15 -1.26 -0.68 113.70 108.04 2h3j s SER 9 Ca 0.51 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 57.12 2h3j s SER 9 Cb -0.06 -0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.23 2h3j s SER 9 CO 0.31 0.02 -0.18 -0.31 1.20 0.00 0.00 173.24 174.28 2h3j s TYR 10 N -0.12 2.09 0.21 3.44 2.02 0.12 -1.16 117.35 123.94 2h3j s TYR 10 Ca 0.00 -0.86 -0.14 0.00 -0.37 0.00 0.00 57.07 55.70 2h3j s TYR 10 Cb -0.01 -1.44 -0.08 0.00 -0.40 0.00 0.00 41.96 40.03 2h3j s TYR 10 CO -0.00 -0.39 0.61 1.03 -1.57 0.00 0.00 175.55 175.23 2h3j s ARG 11 N 0.57 3.99 -0.41 -0.62 0.52 0.16 -0.15 118.95 123.01 2h3j s ARG 11 Ca -0.15 0.53 -0.21 0.00 -0.52 0.00 0.00 55.73 55.38 2h3j s ARG 11 Cb -0.17 -2.78 0.02 0.00 0.52 0.00 0.00 34.95 32.54 2h3j s ARG 11 CO 0.05 0.38 0.67 0.42 0.02 0.00 0.00 175.30 176.83 2h3j s ILE 12 N -1.64 4.82 -0.27 1.52 1.01 0.19 -0.73 121.20 126.09 2h3j s ILE 12 Ca 0.43 0.33 0.20 0.00 0.00 0.00 0.00 60.65 61.61 2h3j s ILE 12 Cb -0.14 -4.18 0.23 0.00 0.01 0.00 0.00 42.46 38.38 2h3j s ILE 12 CO 0.20 -0.52 1.57 0.74 0.00 0.00 0.00 174.94 176.93 2h3j h THR 13 N 5.83 0.38 0.00 2.92 2.02 -1.34 0.65 112.91 123.36 2h3j h THR 13 Ca -0.26 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.45 2h3j h THR 13 Cb 1.10 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 2h3j h THR 13 CO 0.89 0.21 0.00 0.61 0.37 0.00 0.00 175.52 177.59 2h3j n GLY 14 N 1.05 -0.33 3.36 2.16 0.00 -1.19 -4.74 105.19 105.50 2h3j n GLY 14 Ca 0.03 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 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 2.12 0.76 1.61 1.51 -1.26 -0.80 117.35 117.29 2h3j s TYR 15 Ca 0.00 -0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 2h3j s TYR 15 Cb 0.00 -1.13 0.05 0.00 -0.11 0.00 0.00 41.96 40.77 2h3j s TYR 15 CO 0.00 0.33 1.10 -1.54 -1.11 0.00 0.00 175.55 174.33 2h3j s SER 16 N -2.17 4.57 0.00 2.29 1.04 -0.44 -4.60 113.70 114.39 2h3j s SER 16 Ca 0.13 1.86 0.00 0.00 0.48 0.00 0.00 55.95 58.42 2h3j s SER 16 Cb -0.09 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2h3j s SER 16 CO 0.06 -1.99 0.62 -2.65 0.98 0.00 0.00 173.24 170.26 2h3j n PRO 17 N -3.35 0.67 -0.00 4.02 -0.02 -1.26 -2.52 135.00 132.53 2h3j n PRO 17 Ca 0.09 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.66 2h3j n PRO 17 Cb 0.53 -1.05 -0.11 0.00 -0.02 0.00 0.00 33.50 32.84 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 -0.40 3.57 -2.30 3.55 0.00 -1.26 -4.96 120.51 118.72 2h3j n ALA 18 Ca 0.00 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.61 2h3j n ALA 18 Cb 0.03 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.88 4.78 0.17 0.00 2.07 -1.05 -5.05 121.20 119.24 2h3j s ILE 19 Ca 0.01 1.03 -0.08 0.00 -1.41 0.00 0.00 60.65 60.20 2h3j s ILE 19 Cb 0.12 -3.81 0.03 0.00 0.13 0.00 0.00 42.46 38.93 2h3j s ILE 19 CO 0.72 0.36 0.39 -0.24 -1.91 0.00 0.00 174.94 174.26 2h3j n SER 20 N 1.15 -1.05 -3.01 4.50 2.88 -1.26 -4.97 113.62 111.86 2h3j n SER 20 Ca -0.07 -1.70 -0.22 0.00 -1.33 0.00 0.00 58.87 55.54 2h3j n SER 20 Cb 0.51 1.74 0.03 0.00 -0.75 0.00 0.00 64.21 65.75 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 -1.20 -5.98 0.00 -3.46 5.15 -1.26 -1.84 115.26 106.67 2h3j n ASN 21 Ca -0.04 -0.28 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 2h3j n ASN 21 Cb 0.28 -4.84 0.00 0.00 -0.53 0.00 0.00 39.78 34.69 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 -1.48 0.64 0.30 8.20 0.00 -1.26 -4.87 105.19 106.72 2h3j n GLY 22 Ca -0.11 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.54 1.61 -1.99 -1.75 -0.89 116.97 113.40 2h3j h TYR 23 Ca 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 2h3j h TYR 23 Cb 0.05 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.76 2h3j h TYR 23 CO 0.03 0.03 0.17 0.00 -0.00 0.00 0.00 178.16 178.40 2h3j h ARG 24 N 0.00 0.84 -0.33 4.88 3.08 -1.90 0.89 114.38 121.85 2h3j h ARG 24 Ca -0.00 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.78 2h3j h ARG 24 Cb 0.13 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2h3j h ARG 24 CO 0.00 0.77 -0.19 1.96 -1.07 0.00 0.00 179.97 181.44 2h3j h GLN 25 N 0.75 0.62 -0.51 0.04 4.20 -1.59 0.88 115.11 119.49 2h3j h GLN 25 Ca 0.18 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2h3j h GLN 25 Cb 0.27 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2h3j h GLN 25 CO -0.01 0.77 0.26 0.00 -0.67 0.00 0.00 178.83 179.18 2h3j h ARG 26 N 0.55 0.73 -0.33 1.46 3.08 -1.02 -0.27 114.38 118.58 2h3j h ARG 26 Ca 0.09 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 2h3j h ARG 26 Cb 0.63 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2h3j h ARG 26 CO 0.04 0.59 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.17 2h3j h LEU 27 N 0.68 0.84 -0.33 3.04 3.38 -0.46 -2.35 115.31 120.12 2h3j h LEU 27 Ca 0.18 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.71 2h3j h LEU 27 Cb 0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2h3j h LEU 27 CO -0.02 1.13 0.15 0.15 0.09 0.00 0.00 178.44 179.93 2h3j h PHE 28 N 0.57 0.28 0.00 1.13 3.57 -0.69 0.23 116.94 122.02 2h3j h PHE 28 Ca 0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2h3j h PHE 28 Cb 0.88 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 2h3j h PHE 28 CO 0.07 0.14 -0.14 0.77 -2.23 0.00 0.00 178.31 176.92 2h3j h SER 29 N 0.32 0.00 0.99 0.41 0.02 -0.97 -1.04 113.55 113.28 2h3j h SER 29 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2h3j h SER 29 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2h3j h SER 29 CO -0.11 0.14 -0.31 0.23 -1.14 0.00 0.00 176.83 175.65 2h3j n MET 30 N -4.18 0.17 0.00 3.45 2.81 -0.71 -4.92 117.12 113.75 2h3j n MET 30 Ca -0.02 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 2h3j n MET 30 Cb 0.22 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 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 1.39 0.88 3.36 3.03 0.00 -0.39 -5.07 105.19 108.39 2h3j n GLY 31 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 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 5.56 0.05 0.99 1.43 0.66 -4.95 118.68 122.41 2h3j s LEU 32 Ca 0.00 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 2h3j s LEU 32 Cb 0.00 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 2h3j s LEU 32 CO 0.00 -1.03 -0.04 -1.48 0.23 0.00 0.00 176.35 174.02 2h3j s LEU 33 N 2.41 2.38 0.30 1.79 0.05 -1.26 -2.96 118.68 121.39 2h3j s LEU 33 Ca 0.10 -0.78 -0.29 0.00 0.05 0.00 0.00 54.13 53.21 2h3j s LEU 33 Cb -0.25 0.08 -0.10 0.00 -2.05 0.00 0.00 46.19 43.86 2h3j s LEU 33 CO 0.06 -0.43 1.42 -2.84 -0.55 0.00 0.00 176.35 174.01 2h3j s PRO 34 N -2.80 4.25 0.00 1.48 0.02 -1.26 -3.19 135.00 133.50 2h3j s PRO 34 Ca -0.02 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.36 2h3j s PRO 34 Cb -0.01 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2h3j s PRO 34 CO -0.05 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 2h3j n GLY 35 N 1.40 1.80 3.88 0.52 0.00 0.22 -4.99 105.19 108.02 2h3j n GLY 35 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.39 -0.02 4.61 0.00 -1.19 -4.79 121.76 121.75 2h3j s ALA 36 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.77 2h3j s ALA 36 Cb 0.00 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 2h3j s ALA 36 CO 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 175.76 175.71 2h3j s ALA 37 N -2.28 1.09 -0.05 0.00 0.00 -1.26 0.53 121.76 119.80 2h3j s ALA 37 Ca 0.51 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 2h3j s ALA 37 Cb -0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2h3j s ALA 37 CO 0.29 0.23 0.01 -0.51 0.00 0.00 0.00 175.76 175.79 2h3j s LEU 38 N -0.12 3.60 -0.11 0.00 2.01 0.79 -4.71 118.68 120.15 2h3j s LEU 38 Ca 0.02 0.10 -0.15 0.00 0.01 0.00 0.00 54.13 54.10 2h3j s LEU 38 Cb -0.07 -1.94 -0.05 0.00 0.01 0.00 0.00 46.19 44.15 2h3j s LEU 38 CO 0.00 0.33 0.38 -0.60 1.01 0.00 0.00 176.35 177.47 2h3j s ARG 39 N -1.21 4.17 0.05 1.70 3.52 0.26 0.10 118.95 127.55 2h3j s ARG 39 Ca 0.16 0.28 -0.31 0.00 -0.13 0.00 0.00 55.73 55.74 2h3j s ARG 39 Cb -0.11 -3.37 -0.06 0.00 -1.56 0.00 0.00 34.95 29.84 2h3j s ARG 39 CO 0.06 0.34 1.32 0.54 -0.81 0.00 0.00 175.30 176.75 2h3j s VAL 40 N 0.09 3.72 -0.26 7.11 0.11 0.15 -0.35 120.40 130.96 2h3j s VAL 40 Ca 0.21 1.20 -0.06 0.00 -2.93 0.00 0.00 61.98 60.40 2h3j s VAL 40 Cb -0.15 -3.77 -0.15 0.00 -1.53 0.00 0.00 36.38 30.79 2h3j s VAL 40 CO 0.08 0.06 -0.25 0.52 -3.33 0.00 0.00 175.10 172.18 2h3j n VAL 41 N 4.19 1.52 -3.65 2.04 0.31 0.17 -3.85 118.33 119.06 2h3j n VAL 41 Ca 0.11 -0.47 -0.02 0.00 -0.01 0.00 0.00 64.34 63.95 2h3j n VAL 41 Cb 0.44 -1.66 -0.07 0.00 -0.91 0.00 0.00 33.84 31.65 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 -2.51 0.14 -0.13 5.55 3.52 -0.62 0.25 118.95 125.14 2h3j s ARG 42 Ca -0.36 0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.44 2h3j s ARG 42 Cb 0.12 0.05 -0.01 0.00 -1.56 0.00 0.00 34.95 33.55 2h3j s ARG 42 CO 0.56 -0.02 -0.17 0.42 -0.81 0.00 0.00 175.30 175.27 2h3j s ILE 43 N 0.51 2.63 0.05 4.11 1.09 -1.26 -0.55 121.20 127.77 2h3j s ILE 43 Ca 0.00 -0.81 -0.31 0.00 -1.10 0.00 0.00 60.65 58.44 2h3j s ILE 43 Cb -0.04 -2.08 -0.07 0.00 -1.06 0.00 0.00 42.46 39.21 2h3j s ILE 43 CO -0.13 0.53 1.55 0.00 -0.10 0.00 0.00 174.94 176.79 2h3j s ALA 44 N 0.47 3.65 -0.18 9.38 0.00 -1.26 -4.87 121.76 128.94 2h3j s ALA 44 Ca -0.12 1.09 0.17 0.00 0.00 0.00 0.00 51.96 53.10 2h3j s ALA 44 Cb -0.16 -3.65 0.95 0.00 0.00 0.00 0.00 23.12 20.25 2h3j s ALA 44 CO 0.05 -1.00 1.50 -2.30 0.00 0.00 0.00 175.76 174.01 2h3j n PRO 45 N 5.38 0.11 -0.11 0.00 -0.02 -1.26 -1.70 135.00 137.41 2h3j n PRO 45 Ca 0.15 0.60 0.15 0.00 -2.02 0.00 0.00 63.50 62.38 2h3j n PRO 45 Cb 0.42 -1.97 0.54 0.00 -0.02 0.00 0.00 33.50 32.47 2h3j n PRO 45 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2h3j h LEU 46 N 0.00 0.31 0.00 2.45 -0.00 -2.02 -3.46 115.31 112.58 2h3j h LEU 46 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2h3j h LEU 46 Cb 0.19 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 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 -1.55 -1.29 3.48 0.83 0.00 -0.69 -5.11 105.19 100.87 2h3j n GLY 47 Ca 0.12 0.47 0.01 0.00 0.00 0.00 0.00 46.02 46.62 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 -2.26 -0.91 0.29 1.61 -1.08 -1.25 -4.85 116.67 108.23 2h3j s ASP 48 Ca 0.00 1.13 0.00 0.00 -0.52 0.00 0.00 52.55 53.17 2h3j s ASP 48 Cb 0.00 1.99 0.00 0.00 -1.46 0.00 0.00 42.92 43.45 2h3j s ASP 48 CO 0.00 -0.17 0.03 -0.81 0.52 0.00 0.00 175.17 174.74 2h3j n PRO 49 N 5.26 1.26 -3.46 4.34 -0.04 -1.26 -4.65 135.00 136.44 2h3j n PRO 49 Ca -0.09 -2.10 -0.20 0.00 -0.04 0.00 0.00 63.50 61.07 2h3j n PRO 49 Cb 0.51 0.52 -0.12 0.00 -0.04 0.00 0.00 33.50 34.37 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 -1.98 -0.31 -0.25 0.52 1.01 0.64 -4.42 121.20 116.40 2h3j s ILE 50 Ca 0.02 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 2h3j s ILE 50 Cb -0.00 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 2h3j s ILE 50 CO 0.02 -0.39 0.49 -1.58 0.00 0.00 0.00 174.94 173.47 2h3j s GLN 51 N 2.30 4.08 0.08 2.79 0.74 0.28 -1.90 119.66 128.04 2h3j s GLN 51 Ca 0.08 0.28 -0.02 0.00 0.05 0.00 0.00 55.36 55.75 2h3j s GLN 51 Cb -0.15 -3.64 -0.04 0.00 1.10 0.00 0.00 33.01 30.28 2h3j s GLN 51 CO -0.24 -0.31 0.02 0.14 -0.55 0.00 0.00 175.29 174.35 2h3j s VAL 52 N 2.16 0.17 -0.06 1.34 -7.23 0.57 0.42 120.40 117.76 2h3j s VAL 52 Ca 0.20 -1.80 0.06 0.00 -1.81 0.00 0.00 61.98 58.62 2h3j s VAL 52 Cb -0.16 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 2h3j s VAL 52 CO 0.09 -0.78 -0.23 -0.70 -0.31 0.00 0.00 175.10 173.17 2h3j s GLU 53 N -3.96 2.58 -0.05 4.82 2.12 0.52 0.58 118.70 125.31 2h3j s GLU 53 Ca 0.13 -0.88 0.06 0.00 0.36 0.00 0.00 54.97 54.64 2h3j s GLU 53 Cb 0.08 -2.20 -0.24 0.00 0.26 0.00 0.00 34.13 32.02 2h3j s GLU 53 CO -0.06 0.40 0.65 0.00 -0.54 0.00 0.00 175.26 175.72 2h3j h THR 54 N 4.99 0.88 0.00 -1.70 1.03 -1.56 0.75 112.91 117.30 2h3j h THR 54 Ca -0.33 -2.67 0.00 0.00 -0.01 0.00 0.00 66.41 63.40 2h3j h THR 54 Cb 1.17 2.51 0.00 0.00 -1.07 0.00 0.00 68.15 70.76 2h3j h THR 54 CO 0.48 0.65 0.00 -1.14 -0.01 0.00 0.00 175.52 175.50 2h3j n ARG 55 N -3.22 0.00 -0.08 0.00 0.63 -1.26 -4.85 116.66 107.88 2h3j n ARG 55 Ca -0.19 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.63 2h3j n ARG 55 Cb 1.04 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.87 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 0.00 0.66 -4.13 -0.14 -0.06 -1.26 -5.03 117.38 107.42 2h3j n GLN 56 Ca 0.00 0.08 -0.30 0.00 -2.00 0.00 0.00 57.00 54.78 2h3j n GLN 56 Cb 0.00 -1.33 -0.08 0.00 -4.06 0.00 0.00 30.24 24.77 2h3j n GLN 56 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 2h3j s THR 57 N -2.33 3.98 0.03 1.69 -1.32 -1.26 -5.12 115.64 111.32 2h3j s THR 57 Ca -0.20 -1.02 0.06 0.00 -1.21 0.00 0.00 61.69 59.32 2h3j s THR 57 Cb 0.05 -2.90 -0.03 0.00 -1.51 0.00 0.00 72.50 68.11 2h3j s THR 57 CO 0.41 0.11 -0.14 -0.94 -2.21 0.00 0.00 174.62 171.84 2h3j s SER 58 N -2.34 4.08 0.22 8.08 1.04 -1.26 -1.53 113.70 121.99 2h3j s SER 58 Ca 0.26 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.42 2h3j s SER 58 Cb -0.12 -0.77 -0.05 0.00 0.10 0.00 0.00 66.02 65.19 2h3j s SER 58 CO 0.18 0.26 -0.10 -0.76 0.98 0.00 0.00 173.24 173.81 2h3j s LEU 59 N -1.44 2.49 0.01 2.42 1.02 0.20 -4.94 118.68 118.43 2h3j s LEU 59 Ca 0.16 -1.09 0.04 0.00 0.02 0.00 0.00 54.13 53.25 2h3j s LEU 59 Cb -0.11 -0.58 -0.01 0.00 0.02 0.00 0.00 46.19 45.51 2h3j s LEU 59 CO 0.06 -0.28 -0.12 0.00 0.02 0.00 0.00 176.35 176.04 2h3j s ALA 60 N -3.08 0.96 0.35 4.21 0.00 -1.25 -0.32 121.76 122.63 2h3j s ALA 60 Ca 0.24 -0.59 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 2h3j s ALA 60 Cb 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2h3j s ALA 60 CO 0.08 0.21 0.61 -0.48 0.00 0.00 0.00 175.76 176.18 2h3j s LEU 61 N -0.58 0.48 0.00 0.00 0.05 -0.80 -4.92 118.68 112.91 2h3j s LEU 61 Ca 0.03 -1.25 0.00 0.00 0.05 0.00 0.00 54.13 52.96 2h3j s LEU 61 Cb -0.06 2.12 -0.00 0.00 -2.05 0.00 0.00 46.19 46.20 2h3j s LEU 61 CO 0.00 -1.44 0.01 0.54 -0.55 0.00 0.00 176.35 174.91 2h3j n ARG 62 N -0.53 1.25 -0.11 1.48 5.12 -1.26 -0.26 116.66 122.35 2h3j n ARG 62 Ca -0.03 -1.92 0.12 0.00 -1.93 0.00 0.00 57.85 54.09 2h3j n ARG 62 Cb 0.61 0.61 0.49 0.00 -1.16 0.00 0.00 32.46 33.00 2h3j n ARG 62 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 2h3j h ARG 63 N 0.00 0.43 -0.44 5.56 0.11 -1.93 -0.27 114.38 117.84 2h3j h ARG 63 Ca -0.21 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.82 2h3j h ARG 63 Cb 0.67 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.63 2h3j h ARG 63 CO 0.35 0.28 0.18 -0.22 0.10 0.00 0.00 179.97 180.66 2h3j h LYS 64 N 0.44 0.65 -0.50 0.08 3.64 -1.98 0.21 116.57 119.11 2h3j h LYS 64 Ca 0.30 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 2h3j h LYS 64 Cb 0.58 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2h3j h LYS 64 CO -0.09 0.59 -0.17 -0.44 -2.27 0.00 0.00 179.45 177.08 2h3j h ASP 65 N 0.56 0.99 -0.97 4.20 3.32 -1.66 -2.76 116.42 120.10 2h3j h ASP 65 Ca 0.15 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.86 2h3j h ASP 65 Cb 0.18 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 2h3j h ASP 65 CO -0.01 1.13 0.64 0.25 -1.72 0.00 0.00 179.24 179.53 2h3j h LEU 66 N 0.85 1.12 -0.36 1.55 5.85 -0.76 -2.23 115.31 121.33 2h3j h LEU 66 Ca 0.12 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2h3j h LEU 66 Cb 0.73 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2h3j h LEU 66 CO 0.06 0.81 0.00 0.00 -0.34 0.00 0.00 178.44 178.97 2h3j n ALA 67 N -2.39 1.76 0.05 1.25 0.00 0.71 -2.21 120.51 119.68 2h3j n ALA 67 Ca 0.11 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.66 2h3j n ALA 67 Cb 0.01 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.95 0.57 -4.68 0.00 4.77 -0.85 -4.64 117.00 110.22 2h3j n LEU 68 Ca 0.03 0.23 -0.35 0.00 -0.03 0.00 0.00 56.01 55.89 2h3j n LEU 68 Cb 0.23 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 2h3j n LEU 68 CO 0.19 -0.05 -0.31 -0.76 -1.33 0.00 0.00 177.39 175.12 2h3j s LEU 69 N -5.19 3.54 -0.40 2.23 1.43 -0.94 -1.33 118.68 118.03 2h3j s LEU 69 Ca -0.03 0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 52.98 2h3j s LEU 69 Cb 0.11 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.52 2h3j s LEU 69 CO 0.83 0.37 0.64 -0.89 0.23 0.00 0.00 176.35 177.53 2h3j s THR 70 N -0.89 4.85 -0.11 5.49 2.01 0.02 -4.57 115.64 122.43 2h3j s THR 70 Ca 0.14 0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.52 2h3j s THR 70 Cb -0.11 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.26 2h3j s THR 70 CO 0.03 -0.46 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.51 2h3j s LEU 71 N 2.78 2.04 -0.06 4.42 1.43 -1.26 -0.92 118.68 127.11 2h3j s LEU 71 Ca 0.24 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2h3j s LEU 71 Cb -0.14 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.72 2h3j s LEU 71 CO 0.17 0.12 -0.18 0.68 0.23 0.00 0.00 176.35 177.37 2h3j s VAL 72 N 0.56 1.54 0.93 -1.59 -7.23 0.09 -4.96 120.40 109.74 2h3j s VAL 72 Ca -0.14 -0.75 -0.11 0.00 -1.81 0.00 0.00 61.98 59.17 2h3j s VAL 72 Cb -0.17 -1.34 0.15 0.00 0.56 0.00 0.00 36.38 35.59 2h3j s VAL 72 CO 0.04 0.44 1.10 -2.84 -0.31 0.00 0.00 175.10 173.53 2h3j s PRO 73 N 0.22 0.94 0.10 4.82 0.02 -1.26 0.39 135.00 140.23 2h3j s PRO 73 Ca -0.09 1.13 -0.32 0.00 0.02 0.00 0.00 61.00 61.74 2h3j s PRO 73 Cb -0.14 -1.75 -0.12 0.00 0.02 0.00 0.00 34.50 32.51 2h3j s PRO 73 CO 0.04 -2.55 1.59 -0.07 -0.33 0.00 0.00 177.00 175.68 2h3j h LEU 74 N -1.79 -1.19 0.00 -5.54 3.38 -1.51 -3.43 115.31 105.23 2h3j h LEU 74 Ca -0.49 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2h3j h LEU 74 Cb 1.28 0.43 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2h3j h LEU 74 CO 0.49 -0.52 0.00 -0.67 0.09 0.00 0.00 178.44 177.83