#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 -2.79 -2.99 3.17 7.64 -1.26 -5.13 113.62 112.26 2h3j n SER 2 Ca 0.00 0.60 -0.00 0.00 1.01 0.00 0.00 58.87 60.48 2h3j n SER 2 Cb 0.00 2.76 -0.00 0.00 -1.01 0.00 0.00 64.21 65.96 2h3j n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h3j n ALA 3 N -3.13 -2.63 0.22 -0.43 0.00 -1.26 -4.88 120.51 108.40 2h3j n ALA 3 Ca 0.00 0.23 0.09 0.00 0.00 0.00 0.00 53.44 53.76 2h3j n ALA 3 Cb 0.00 -0.74 0.46 0.00 0.00 0.00 0.00 19.45 19.17 2h3j n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2h3j h LEU 4 N 3.39 0.00 -0.32 0.00 -0.00 -1.94 -3.49 115.31 112.95 2h3j h LEU 4 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2h3j h LEU 4 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2h3j h LEU 4 CO 0.04 0.25 -0.37 0.00 -0.00 0.00 0.00 178.44 178.36 2h3j n GLN 5 N -3.45 -1.61 -1.79 1.13 6.02 -1.26 -4.78 117.38 111.64 2h3j n GLN 5 Ca -0.00 1.24 -0.43 0.00 -0.01 0.00 0.00 57.00 57.80 2h3j n GLN 5 Cb 0.42 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 2h3j n GLN 5 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2h3j s PRO 6 N -4.60 3.23 -0.27 -1.09 0.04 -1.26 -4.84 135.00 126.21 2h3j s PRO 6 Ca 0.00 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.65 2h3j s PRO 6 Cb 0.00 -4.29 -0.13 0.00 0.04 0.00 0.00 34.50 30.13 2h3j s PRO 6 CO 0.00 -1.98 -0.31 0.45 0.04 0.00 0.00 177.00 175.20 2h3j n SER 7 N 11.00 1.95 -3.94 6.66 2.88 -1.26 -5.05 113.62 125.87 2h3j n SER 7 Ca 0.26 0.34 -0.09 0.00 -1.33 0.00 0.00 58.87 58.05 2h3j n SER 7 Cb 0.46 -0.82 -0.09 0.00 -0.75 0.00 0.00 64.21 63.00 2h3j n SER 7 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2h3j s ARG 8 N -2.50 0.66 0.32 -1.46 3.03 -1.26 -5.05 118.95 112.68 2h3j s ARG 8 Ca -0.38 -0.89 0.07 0.00 2.03 0.00 0.00 55.73 56.56 2h3j s ARG 8 Cb 0.14 0.25 -0.03 0.00 -1.03 0.00 0.00 34.95 34.29 2h3j s ARG 8 CO 0.50 -0.17 0.30 -1.12 -1.13 0.00 0.00 175.30 173.68 2h3j s SER 9 N -2.46 5.45 -0.05 -2.89 0.01 -1.26 -4.12 113.70 108.38 2h3j s SER 9 Ca -0.00 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 56.89 2h3j s SER 9 Cb 0.02 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 65.15 2h3j s SER 9 CO -0.07 -0.31 -0.14 -0.31 0.41 0.00 0.00 173.24 172.82 2h3j s TYR 10 N -2.25 1.52 0.27 2.43 2.02 -0.22 -1.35 117.35 119.76 2h3j s TYR 10 Ca 0.40 -0.50 -0.08 0.00 -0.37 0.00 0.00 57.07 56.53 2h3j s TYR 10 Cb -0.07 -1.07 -0.06 0.00 -0.40 0.00 0.00 41.96 40.36 2h3j s TYR 10 CO 0.27 -0.21 0.57 1.03 -1.57 0.00 0.00 175.55 175.63 2h3j s ARG 11 N 0.35 3.73 -0.29 -0.62 0.52 0.12 -0.38 118.95 122.37 2h3j s ARG 11 Ca -0.09 0.18 -0.10 0.00 -0.52 0.00 0.00 55.73 55.20 2h3j s ARG 11 Cb -0.13 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 2h3j s ARG 11 CO 0.03 0.25 0.16 0.42 0.02 0.00 0.00 175.30 176.18 2h3j s ILE 12 N -1.97 4.83 -0.16 1.52 1.01 -1.09 -0.16 121.20 125.18 2h3j s ILE 12 Ca 0.46 -0.18 0.17 0.00 0.00 0.00 0.00 60.65 61.10 2h3j s ILE 12 Cb -0.11 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 2h3j s ILE 12 CO 0.26 0.16 1.03 0.71 0.00 0.00 0.00 174.94 177.10 2h3j h THR 13 N 5.53 0.49 0.00 2.92 1.35 -1.70 0.24 112.91 121.75 2h3j h THR 13 Ca -0.34 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 2h3j h THR 13 Cb 1.17 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 2h3j h THR 13 CO 0.59 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 2h3j n GLY 14 N 1.31 -0.55 3.57 5.82 0.00 -1.22 -4.71 105.19 109.42 2h3j n GLY 14 Ca -0.05 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.58 2.67 0.31 1.61 1.51 -1.26 -0.86 117.35 117.76 2h3j s TYR 15 Ca 0.00 -0.20 -0.29 0.00 -1.01 0.00 0.00 57.07 55.57 2h3j s TYR 15 Cb 0.00 -1.34 -0.10 0.00 -0.11 0.00 0.00 41.96 40.41 2h3j s TYR 15 CO 0.00 0.48 1.21 -1.12 -1.11 0.00 0.00 175.55 175.01 2h3j s SER 16 N -2.63 6.98 0.64 2.29 0.01 0.07 -4.62 113.70 116.44 2h3j s SER 16 Ca 0.24 2.49 0.42 0.00 1.31 0.00 0.00 55.95 60.40 2h3j s SER 16 Cb -0.10 -2.64 2.23 0.00 0.21 0.00 0.00 66.02 65.72 2h3j s SER 16 CO 0.15 -0.37 2.31 -0.65 0.41 0.00 0.00 173.24 175.09 2h3j h PRO 17 N 3.53 0.00 -0.98 12.44 0.11 -1.92 -1.71 132.00 143.47 2h3j h PRO 17 Ca -0.48 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.28 2h3j h PRO 17 Cb 1.22 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.12 2h3j h PRO 17 CO 0.66 0.00 0.45 0.00 -0.21 0.00 0.00 178.00 178.90 2h3j n ALA 18 N -2.10 4.69 -1.79 -0.75 0.00 -1.26 -4.96 120.51 114.33 2h3j n ALA 18 Ca -0.02 -2.07 -0.34 0.00 0.00 0.00 0.00 53.44 51.00 2h3j n ALA 18 Cb 0.11 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.41 3.74 -0.29 0.00 2.07 -0.65 -4.95 121.20 118.71 2h3j s ILE 19 Ca 0.42 1.10 -0.21 0.00 -1.41 0.00 0.00 60.65 60.55 2h3j s ILE 19 Cb 0.35 -3.45 -0.01 0.00 0.13 0.00 0.00 42.46 39.48 2h3j s ILE 19 CO 0.08 -0.22 0.66 -0.44 -1.91 0.00 0.00 174.94 173.12 2h3j s SER 20 N -1.93 6.55 -0.02 4.50 0.01 -1.26 -4.84 113.70 116.70 2h3j s SER 20 Ca 0.67 0.54 -0.02 0.00 1.31 0.00 0.00 55.95 58.45 2h3j s SER 20 Cb -0.17 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2h3j s SER 20 CO 0.21 -0.48 0.03 -3.20 0.41 0.00 0.00 173.24 170.21 2h3j n ASN 21 N 5.90 -1.42 0.00 2.44 2.85 -1.26 -0.87 115.26 122.90 2h3j n ASN 21 Ca 0.00 0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 2h3j n ASN 21 Cb 0.49 -0.35 0.00 0.00 1.24 0.00 0.00 39.78 41.15 2h3j n ASN 21 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2h3j n GLY 22 N 0.54 0.21 0.28 8.20 0.00 -1.26 -4.83 105.19 108.33 2h3j n GLY 22 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.48 1.61 -1.99 -1.37 -1.55 116.97 113.20 2h3j h TYR 23 Ca 0.00 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.79 2h3j h TYR 23 Cb 0.56 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.24 2h3j h TYR 23 CO 0.35 0.08 0.19 -0.09 -0.00 0.00 0.00 178.16 178.69 2h3j h ARG 24 N 0.00 0.36 -0.31 4.88 2.43 -1.88 0.35 114.38 120.21 2h3j h ARG 24 Ca -0.00 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 2h3j h ARG 24 Cb 0.31 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2h3j h ARG 24 CO 0.01 0.24 -0.08 1.96 -1.51 0.00 0.00 179.97 180.59 2h3j h GLN 25 N 0.38 0.51 -0.17 0.20 4.20 -1.68 0.24 115.11 118.78 2h3j h GLN 25 Ca 0.22 -0.13 -0.22 0.00 0.06 0.00 0.00 58.65 58.58 2h3j h GLN 25 Cb 0.21 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.93 2h3j h GLN 25 CO -0.21 0.60 -0.75 -0.09 -0.67 0.00 0.00 178.83 177.71 2h3j h ARG 26 N 0.48 0.80 -0.29 1.46 2.43 -1.24 -2.31 114.38 115.71 2h3j h ARG 26 Ca 0.09 -0.64 -0.09 0.00 -0.81 0.00 0.00 59.98 58.54 2h3j h ARG 26 Cb 0.44 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2h3j h ARG 26 CO 0.02 1.25 -0.17 -0.07 -1.51 0.00 0.00 179.97 179.49 2h3j h LEU 27 N 0.56 0.66 -0.72 3.80 3.38 0.16 -1.50 115.31 121.65 2h3j h LEU 27 Ca -0.04 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2h3j h LEU 27 Cb 1.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 2h3j h LEU 27 CO 0.16 0.94 0.43 0.15 0.09 0.00 0.00 178.44 180.21 2h3j h PHE 28 N 0.39 0.95 -0.06 1.13 3.04 -0.55 0.33 116.94 122.17 2h3j h PHE 28 Ca 0.06 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.93 2h3j h PHE 28 Cb 0.71 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 2h3j h PHE 28 CO 0.06 0.64 -0.34 0.77 -2.02 0.00 0.00 178.31 177.42 2h3j h SER 29 N 0.98 0.11 1.18 0.41 0.02 -1.28 -2.72 113.55 112.25 2h3j h SER 29 Ca 0.26 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 61.02 2h3j h SER 29 Cb -0.03 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2h3j h SER 29 CO -0.05 0.45 -0.74 0.24 -1.14 0.00 0.00 176.83 175.60 2h3j h MET 30 N 0.10 0.00 0.00 3.45 2.86 -0.52 -3.47 114.93 117.34 2h3j h MET 30 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2h3j h MET 30 Cb 0.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2h3j h MET 30 CO 0.05 0.74 0.00 0.41 1.06 0.00 0.00 176.91 179.16 2h3j n GLY 31 N 1.18 0.73 3.36 8.32 0.00 -0.06 -5.08 105.19 113.63 2h3j n GLY 31 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 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 6.10 0.06 0.99 1.43 0.96 -4.95 118.68 123.27 2h3j s LEU 32 Ca 0.00 -2.18 -0.00 0.00 -1.03 0.00 0.00 54.13 50.92 2h3j s LEU 32 Cb 0.00 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2h3j s LEU 32 CO 0.00 -0.81 -0.04 -1.48 0.23 0.00 0.00 176.35 174.25 2h3j s LEU 33 N 1.34 2.47 0.05 1.79 0.05 -1.26 -3.35 118.68 119.77 2h3j s LEU 33 Ca 0.17 -0.95 -0.31 0.00 0.05 0.00 0.00 54.13 53.08 2h3j s LEU 33 Cb -0.15 0.13 -0.10 0.00 -2.05 0.00 0.00 46.19 44.02 2h3j s LEU 33 CO -0.04 -0.54 1.92 -0.81 -0.55 0.00 0.00 176.35 176.33 2h3j n PRO 34 N 0.22 2.77 0.00 1.48 -0.04 -1.26 -1.74 135.00 136.43 2h3j n PRO 34 Ca -0.15 1.01 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 2h3j n PRO 34 Cb 0.60 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 2h3j n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h3j n GLY 35 N 4.44 2.54 3.55 0.55 0.00 0.86 -4.98 105.19 112.16 2h3j n GLY 35 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.26 3.12 -0.32 4.61 0.00 -0.71 -4.82 121.76 121.38 2h3j s ALA 36 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 2h3j s ALA 36 Cb 0.00 -3.82 -0.00 0.00 0.00 0.00 0.00 23.12 19.30 2h3j s ALA 36 CO 0.00 -2.40 0.71 0.00 0.00 0.00 0.00 175.76 174.07 2h3j s ALA 37 N 4.25 3.50 -0.09 0.00 0.00 -1.26 -2.69 121.76 125.47 2h3j s ALA 37 Ca 0.36 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 2h3j s ALA 37 Cb -0.10 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2h3j s ALA 37 CO 0.23 -1.23 0.36 -0.51 0.00 0.00 0.00 175.76 174.61 2h3j s LEU 38 N 2.84 4.34 -0.34 0.00 1.43 0.48 -4.86 118.68 122.57 2h3j s LEU 38 Ca 0.29 0.72 -0.14 0.00 -1.03 0.00 0.00 54.13 53.97 2h3j s LEU 38 Cb -0.14 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 2h3j s LEU 38 CO 0.13 0.18 0.32 -0.60 0.23 0.00 0.00 176.35 176.61 2h3j s ARG 39 N -0.13 3.52 -0.01 1.70 3.52 -1.03 -1.06 118.95 125.46 2h3j s ARG 39 Ca 0.21 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 54.99 2h3j s ARG 39 Cb -0.15 -3.81 -0.07 0.00 -1.56 0.00 0.00 34.95 29.36 2h3j s ARG 39 CO 0.08 -0.51 1.78 0.08 -0.81 0.00 0.00 175.30 175.93 2h3j s VAL 40 N 1.90 3.31 -0.23 7.11 1.01 -1.26 -0.79 120.40 131.45 2h3j s VAL 40 Ca 0.10 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.33 2h3j s VAL 40 Cb -0.17 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 2h3j s VAL 40 CO 0.11 -0.03 -0.28 0.52 0.00 0.00 0.00 175.10 175.42 2h3j n VAL 41 N 5.45 1.51 -3.77 2.92 0.31 0.17 -4.32 118.33 120.60 2h3j n VAL 41 Ca 0.18 -0.15 -0.13 0.00 -0.01 0.00 0.00 64.34 64.23 2h3j n VAL 41 Cb 0.42 -2.07 -0.11 0.00 -0.91 0.00 0.00 33.84 31.17 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 -2.59 0.36 -0.00 5.55 0.52 -0.45 -4.06 118.95 118.28 2h3j s ARG 42 Ca -0.33 0.41 0.08 0.00 -0.52 0.00 0.00 55.73 55.37 2h3j s ARG 42 Cb 0.10 0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.72 2h3j s ARG 42 CO 0.47 -0.04 -0.26 0.42 0.02 0.00 0.00 175.30 175.90 2h3j s ILE 43 N 0.14 2.06 0.11 1.52 1.09 -1.26 -0.14 121.20 124.73 2h3j s ILE 43 Ca -0.00 -1.17 -0.30 0.00 -1.10 0.00 0.00 60.65 58.07 2h3j s ILE 43 Cb -0.02 -1.72 -0.06 0.00 -1.06 0.00 0.00 42.46 39.60 2h3j s ILE 43 CO 0.00 0.52 0.98 0.00 -0.10 0.00 0.00 174.94 176.35 2h3j s ALA 44 N -0.66 3.26 -1.24 9.38 0.00 -1.25 -4.75 121.76 126.50 2h3j s ALA 44 Ca 0.10 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.74 2h3j s ALA 44 Cb -0.10 -3.29 0.33 0.00 0.00 0.00 0.00 23.12 20.05 2h3j s ALA 44 CO -0.00 -0.06 1.14 -0.35 0.00 0.00 0.00 175.76 176.49 2h3j n PRO 45 N 2.80 0.06 -0.24 0.00 -0.04 -1.26 -2.12 135.00 134.19 2h3j n PRO 45 Ca 0.03 0.29 -0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2h3j n PRO 45 Cb 0.49 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.67 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 0.92 0.00 1.53 -0.00 -2.02 -3.47 115.31 112.27 2h3j h LEU 46 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2h3j h LEU 46 Cb 0.09 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.52 2h3j h LEU 46 CO 0.00 0.67 0.00 0.61 -0.00 0.00 0.00 178.44 179.72 2h3j n GLY 47 N -1.39 -2.08 3.16 0.83 0.00 -0.90 -5.12 105.19 99.69 2h3j n GLY 47 Ca 0.09 0.68 0.04 0.00 0.00 0.00 0.00 46.02 46.83 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 -2.57 -0.02 0.27 1.61 2.15 -1.24 -4.82 116.67 112.05 2h3j s ASP 48 Ca 0.00 0.03 0.09 0.00 0.43 0.00 0.00 52.55 53.10 2h3j s ASP 48 Cb 0.00 1.03 -0.04 0.00 -0.30 0.00 0.00 42.92 43.61 2h3j s ASP 48 CO 0.00 -0.00 0.05 -2.16 -0.17 0.00 0.00 175.17 172.89 2h3j s PRO 49 N 2.18 2.42 -0.29 4.34 0.05 -1.26 -3.96 135.00 138.48 2h3j s PRO 49 Ca -0.01 -1.37 0.03 0.00 0.05 0.00 0.00 61.00 59.70 2h3j s PRO 49 Cb -0.02 -2.24 0.08 0.00 0.05 0.00 0.00 34.50 32.37 2h3j s PRO 49 CO -0.14 0.33 -0.04 0.42 0.05 0.00 0.00 177.00 177.62 2h3j s ILE 50 N -2.31 2.27 -0.42 0.56 1.09 0.38 -3.83 121.20 118.95 2h3j s ILE 50 Ca 0.33 -1.90 -0.24 0.00 -1.10 0.00 0.00 60.65 57.73 2h3j s ILE 50 Cb -0.06 -2.47 0.02 0.00 -1.06 0.00 0.00 42.46 38.89 2h3j s ILE 50 CO 0.21 -0.26 0.85 -1.58 -0.10 0.00 0.00 174.94 174.06 2h3j s GLN 51 N 1.03 3.60 0.41 2.79 -0.44 0.81 -2.11 119.66 125.74 2h3j s GLN 51 Ca -0.01 0.19 0.04 0.00 -2.50 0.00 0.00 55.36 53.08 2h3j s GLN 51 Cb -0.20 -3.88 -0.05 0.00 -1.64 0.00 0.00 33.01 27.24 2h3j s GLN 51 CO -0.06 -1.06 0.04 0.14 0.50 0.00 0.00 175.29 174.86 2h3j s VAL 52 N 3.41 1.35 -0.11 1.34 -7.23 0.13 0.46 120.40 119.75 2h3j s VAL 52 Ca 0.34 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 2h3j s VAL 52 Cb -0.12 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.18 2h3j s VAL 52 CO 0.22 0.00 -0.23 -0.70 -0.31 0.00 0.00 175.10 174.07 2h3j s GLU 53 N -3.80 3.04 -0.06 4.82 2.12 0.03 -1.23 118.70 123.62 2h3j s GLU 53 Ca 0.27 -0.87 -0.10 0.00 0.36 0.00 0.00 54.97 54.63 2h3j s GLU 53 Cb 0.07 -2.34 -0.30 0.00 0.26 0.00 0.00 34.13 31.81 2h3j s GLU 53 CO 0.13 0.11 0.62 1.15 -0.54 0.00 0.00 175.26 176.74 2h3j h THR 54 N 5.75 0.89 0.00 -1.70 2.02 -1.57 -2.73 112.91 115.57 2h3j h THR 54 Ca -0.24 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.46 2h3j h THR 54 Cb 1.22 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 2h3j h THR 54 CO 0.50 0.87 0.00 -1.14 0.37 0.00 0.00 175.52 176.12 2h3j n ARG 55 N -3.58 0.00 0.00 6.66 0.63 -1.26 -4.94 116.66 114.17 2h3j n ARG 55 Ca -0.26 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.67 2h3j n ARG 55 Cb 1.07 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.98 2h3j n ARG 55 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2h3j n GLN 56 N -1.99 2.46 -3.48 -0.14 1.13 -1.26 -5.05 117.38 109.05 2h3j n GLN 56 Ca 0.00 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.68 2h3j n GLN 56 Cb 0.00 -0.78 -0.06 0.00 0.11 0.00 0.00 30.24 29.51 2h3j n GLN 56 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2h3j s THR 57 N -1.32 5.04 -0.10 5.09 -1.32 -1.26 -5.08 115.64 116.69 2h3j s THR 57 Ca 0.00 0.85 -0.01 0.00 -1.21 0.00 0.00 61.69 61.32 2h3j s THR 57 Cb 0.00 -3.72 -0.03 0.00 -1.51 0.00 0.00 72.50 67.24 2h3j s THR 57 CO 0.00 0.55 -0.05 -0.44 -2.21 0.00 0.00 174.62 172.48 2h3j s SER 58 N -0.91 4.81 0.14 8.08 0.01 -1.26 -1.41 113.70 123.15 2h3j s SER 58 Ca 0.24 -0.02 0.09 0.00 1.31 0.00 0.00 55.95 57.57 2h3j s SER 58 Cb -0.17 -1.41 -0.04 0.00 0.21 0.00 0.00 66.02 64.62 2h3j s SER 58 CO 0.13 0.31 -0.21 -0.76 0.41 0.00 0.00 173.24 173.12 2h3j s LEU 59 N -0.50 2.36 -0.12 2.44 1.43 -0.37 -4.93 118.68 118.99 2h3j s LEU 59 Ca 0.08 -0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 52.40 2h3j s LEU 59 Cb -0.12 -0.94 0.03 0.00 0.03 0.00 0.00 46.19 45.19 2h3j s LEU 59 CO 0.02 0.05 -0.06 0.00 0.23 0.00 0.00 176.35 176.59 2h3j s ALA 60 N -1.49 1.31 0.11 4.21 0.00 -1.25 0.21 121.76 124.86 2h3j s ALA 60 Ca 0.12 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.58 2h3j s ALA 60 Cb -0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2h3j s ALA 60 CO 0.06 -0.53 -0.22 -0.48 0.00 0.00 0.00 175.76 174.59 2h3j s LEU 61 N 1.71 2.30 0.58 0.00 2.34 -0.90 -4.87 118.68 119.84 2h3j s LEU 61 Ca 0.04 -0.70 0.07 0.00 0.06 0.00 0.00 54.13 53.60 2h3j s LEU 61 Cb -0.13 -0.94 0.08 0.00 -0.56 0.00 0.00 46.19 44.64 2h3j s LEU 61 CO -0.08 0.08 0.80 -0.13 -1.06 0.00 0.00 176.35 175.95 2h3j s ARG 62 N -1.94 2.28 0.42 1.48 3.00 -1.26 -0.47 118.95 122.46 2h3j s ARG 62 Ca 0.08 -1.41 0.16 0.00 0.00 0.00 0.00 55.73 54.55 2h3j s ARG 62 Cb -0.10 -2.59 1.05 0.00 0.00 0.00 0.00 34.95 33.31 2h3j s ARG 62 CO 0.05 -0.88 1.91 0.07 0.00 0.00 0.00 175.30 176.45 2h3j h ARG 63 N 0.10 0.41 -0.46 3.54 0.11 -1.98 -0.66 114.38 115.44 2h3j h ARG 63 Ca -0.34 -0.02 0.02 0.00 0.10 0.00 0.00 59.98 59.74 2h3j h ARG 63 Cb 1.28 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 32.24 2h3j h ARG 63 CO 0.42 0.27 0.28 -0.22 0.10 0.00 0.00 179.97 180.82 2h3j h LYS 64 N 0.42 0.54 -0.45 0.08 3.64 -1.94 -0.03 116.57 118.83 2h3j h LYS 64 Ca 0.39 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.63 2h3j h LYS 64 Cb 0.89 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2h3j h LYS 64 CO -0.13 0.36 -0.10 -0.44 -2.27 0.00 0.00 179.45 176.87 2h3j h ASP 65 N 0.56 0.87 -0.81 4.20 5.19 -1.54 -2.94 116.42 121.95 2h3j h ASP 65 Ca 0.18 -0.36 0.03 0.00 -0.62 0.00 0.00 57.03 56.26 2h3j h ASP 65 Cb -0.00 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.22 2h3j h ASP 65 CO -0.07 1.03 0.53 0.25 -3.12 0.00 0.00 179.24 177.86 2h3j h LEU 66 N 0.71 0.88 -1.75 1.55 5.85 -0.82 -1.27 115.31 120.45 2h3j h LEU 66 Ca 0.12 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2h3j h LEU 66 Cb 0.64 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2h3j h LEU 66 CO 0.04 0.61 -0.15 0.00 -0.34 0.00 0.00 178.44 178.60 2h3j h ALA 67 N 1.52 1.25 0.00 1.25 0.00 -0.83 -2.54 119.26 119.92 2h3j h ALA 67 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2h3j h ALA 67 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2h3j h ALA 67 CO -0.09 0.19 -0.71 -0.07 0.00 0.00 0.00 179.25 178.57 2h3j h LEU 68 N 0.00 0.00 -9.20 0.00 3.38 -1.19 -3.42 115.31 104.88 2h3j h LEU 68 Ca -0.00 -0.19 -0.68 0.00 0.09 0.00 0.00 57.88 57.11 2h3j h LEU 68 Cb 0.41 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.99 2h3j h LEU 68 CO 0.02 0.09 -0.69 -0.76 0.09 0.00 0.00 178.44 177.19 2h3j s LEU 69 N -4.43 3.22 -0.35 1.67 1.43 -0.96 -0.75 118.68 118.52 2h3j s LEU 69 Ca 0.05 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 2h3j s LEU 69 Cb 0.13 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 2h3j s LEU 69 CO 0.74 0.30 0.22 -0.89 0.23 0.00 0.00 176.35 176.95 2h3j s THR 70 N -0.96 5.03 -0.00 5.49 2.01 -0.04 -4.57 115.64 122.60 2h3j s THR 70 Ca 0.16 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.79 2h3j s THR 70 Cb -0.11 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2h3j s THR 70 CO 0.06 -0.06 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.10 2h3j s LEU 71 N 1.67 3.11 -0.11 4.42 1.43 -1.26 -1.83 118.68 126.11 2h3j s LEU 71 Ca 0.05 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2h3j s LEU 71 Cb -0.18 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.29 2h3j s LEU 71 CO 0.09 0.29 -0.13 0.68 0.23 0.00 0.00 176.35 177.51 2h3j s VAL 72 N -0.97 1.37 0.81 -1.59 -7.23 0.77 -4.93 120.40 108.63 2h3j s VAL 72 Ca 0.16 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 2h3j s VAL 72 Cb -0.11 -1.29 0.08 0.00 0.56 0.00 0.00 36.38 35.62 2h3j s VAL 72 CO 0.07 0.42 1.09 -2.84 -0.31 0.00 0.00 175.10 173.53 2h3j s PRO 73 N 1.20 1.99 0.10 4.82 0.02 -1.26 0.16 135.00 142.03 2h3j s PRO 73 Ca -0.03 1.06 -0.11 0.00 0.02 0.00 0.00 61.00 61.94 2h3j s PRO 73 Cb -0.14 -1.88 -0.16 0.00 0.02 0.00 0.00 34.50 32.34 2h3j s PRO 73 CO -0.04 -1.79 1.27 -0.07 -0.33 0.00 0.00 177.00 176.03 2h3j h LEU 74 N -1.23 0.83 -0.74 -5.54 3.38 -1.59 -3.44 115.31 106.97 2h3j h LEU 74 Ca -0.45 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 56.90 2h3j h LEU 74 Cb 1.25 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2h3j h LEU 74 CO 0.52 1.41 0.00 -0.67 0.09 0.00 0.00 178.44 179.80