#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 5.07 0.38 7.83 1.04 -1.26 -4.68 113.70 122.07 2h3j s SER 2 Ca 0.00 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2h3j s SER 2 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2h3j s SER 2 CO 0.00 -2.82 0.00 0.00 0.98 0.00 0.00 173.24 171.40 2h3j n ALA 3 N 14.26 -1.81 -0.88 5.32 0.00 -1.26 -4.93 120.51 131.21 2h3j n ALA 3 Ca 0.41 0.32 0.00 0.00 0.00 0.00 0.00 53.44 54.17 2h3j n ALA 3 Cb 0.47 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2h3j n ALA 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2h3j n LEU 4 N -0.98 0.00 -2.59 0.00 7.94 -1.26 -4.98 117.00 115.13 2h3j n LEU 4 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 2h3j n LEU 4 Cb 0.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.96 2h3j n LEU 4 CO 0.00 0.00 0.23 1.67 -1.11 0.00 0.00 177.39 178.18 2h3j n GLN 5 N 3.58 -1.01 -2.92 1.96 7.27 -1.26 -4.44 117.38 120.57 2h3j n GLN 5 Ca 0.00 1.25 -0.18 0.00 0.07 0.00 0.00 57.00 58.14 2h3j n GLN 5 Cb 0.00 -4.51 0.02 0.00 2.41 0.00 0.00 30.24 28.16 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 -2.91 2.75 0.00 3.69 0.04 -1.25 -4.77 135.00 132.55 2h3j s PRO 6 Ca 0.02 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 59.93 2h3j s PRO 6 Cb -0.00 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2h3j s PRO 6 CO 0.53 -0.39 0.00 0.45 0.04 0.00 0.00 177.00 177.63 2h3j n SER 7 N -1.98 0.00 -3.61 6.66 2.88 -1.26 -5.10 113.62 111.21 2h3j n SER 7 Ca 0.08 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.48 2h3j n SER 7 Cb 0.59 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.00 0.96 0.51 -1.46 0.52 -1.26 -5.07 118.95 113.15 2h3j s ARG 8 Ca 0.00 -0.16 -0.22 0.00 -0.52 0.00 0.00 55.73 54.83 2h3j s ARG 8 Cb 0.00 0.44 -0.06 0.00 0.52 0.00 0.00 34.95 35.85 2h3j s ARG 8 CO 0.00 -0.32 1.31 -1.12 0.02 0.00 0.00 175.30 175.18 2h3j s SER 9 N -1.73 5.57 -0.15 0.23 0.01 -1.26 -4.48 113.70 111.88 2h3j s SER 9 Ca -0.08 2.65 0.01 0.00 1.31 0.00 0.00 55.95 59.84 2h3j s SER 9 Cb -0.01 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2h3j s SER 9 CO 0.01 -1.36 -0.17 -0.31 0.41 0.00 0.00 173.24 171.83 2h3j s TYR 10 N -1.36 2.75 0.23 2.43 2.02 0.16 -1.57 117.35 122.01 2h3j s TYR 10 Ca 0.68 -1.12 -0.03 0.00 -0.37 0.00 0.00 57.07 56.23 2h3j s TYR 10 Cb -0.37 -1.87 -0.05 0.00 -0.40 0.00 0.00 41.96 39.27 2h3j s TYR 10 CO 0.45 -0.51 0.45 -0.98 -1.57 0.00 0.00 175.55 173.38 2h3j s ARG 11 N 0.83 3.57 -0.28 -0.62 1.70 0.19 0.42 118.95 124.76 2h3j s ARG 11 Ca -0.05 -0.19 -0.16 0.00 -0.47 0.00 0.00 55.73 54.86 2h3j s ARG 11 Cb -0.15 -2.77 -0.03 0.00 -0.57 0.00 0.00 34.95 31.43 2h3j s ARG 11 CO -0.01 0.34 0.41 0.42 -1.08 0.00 0.00 175.30 175.38 2h3j s ILE 12 N -1.93 5.14 -0.33 4.99 1.01 0.41 -0.91 121.20 129.58 2h3j s ILE 12 Ca 0.41 0.60 0.22 0.00 0.00 0.00 0.00 60.65 61.88 2h3j s ILE 12 Cb -0.11 -3.75 -0.14 0.00 0.01 0.00 0.00 42.46 38.47 2h3j s ILE 12 CO 0.29 0.11 0.88 0.35 0.00 0.00 0.00 174.94 176.56 2h3j n THR 13 N 5.15 0.27 -3.93 2.92 -2.24 -0.50 -1.03 114.28 114.92 2h3j n THR 13 Ca -0.07 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2h3j n THR 13 Cb 0.50 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 2h3j n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h3j n GLY 14 N 1.28 -0.59 3.68 3.38 0.00 -1.16 -4.74 105.19 107.04 2h3j n GLY 14 Ca -0.00 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 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 2.86 0.12 1.61 1.51 -1.26 -0.03 117.35 119.16 2h3j s TYR 15 Ca 0.00 -0.15 -0.30 0.00 -1.01 0.00 0.00 57.07 55.61 2h3j s TYR 15 Cb 0.00 -1.35 -0.07 0.00 -0.11 0.00 0.00 41.96 40.43 2h3j s TYR 15 CO 0.00 0.54 1.23 -1.12 -1.11 0.00 0.00 175.55 175.09 2h3j s SER 16 N -3.21 7.04 0.00 2.29 0.01 0.06 -4.62 113.70 115.27 2h3j s SER 16 Ca 0.29 2.16 0.05 0.00 1.31 0.00 0.00 55.95 59.75 2h3j s SER 16 Cb -0.09 -2.59 0.27 0.00 0.21 0.00 0.00 66.02 63.83 2h3j s SER 16 CO 0.20 -0.46 0.67 -0.81 0.41 0.00 0.00 173.24 173.25 2h3j n PRO 17 N 3.32 0.19 0.00 12.44 -0.04 -1.26 -1.04 135.00 148.61 2h3j n PRO 17 Ca 0.07 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 2h3j n PRO 17 Cb 0.45 -1.37 0.12 0.00 -0.04 0.00 0.00 33.50 32.66 2h3j n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2h3j n ALA 18 N -0.87 3.94 -2.03 0.55 0.00 -1.26 -4.93 120.51 115.91 2h3j n ALA 18 Ca 0.03 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.65 2h3j n ALA 18 Cb 0.02 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.93 4.47 0.51 0.00 2.07 -0.21 -5.07 121.20 120.04 2h3j s ILE 19 Ca 0.11 1.46 -0.09 0.00 -1.41 0.00 0.00 60.65 60.72 2h3j s ILE 19 Cb 0.17 -3.94 -0.05 0.00 0.13 0.00 0.00 42.46 38.77 2h3j s ILE 19 CO 0.74 0.26 0.88 -0.44 -1.91 0.00 0.00 174.94 174.47 2h3j s SER 20 N -1.54 6.35 0.27 4.50 0.01 -1.26 -4.93 113.70 117.10 2h3j s SER 20 Ca 0.43 1.19 -0.02 0.00 1.31 0.00 0.00 55.95 58.85 2h3j s SER 20 Cb -0.18 -2.36 0.36 0.00 0.21 0.00 0.00 66.02 64.05 2h3j s SER 20 CO 0.22 -0.62 1.81 0.78 0.41 0.00 0.00 173.24 175.84 2h3j h ASN 21 N 0.37 0.83 -0.66 2.44 4.21 -1.97 -0.64 115.58 120.16 2h3j h ASN 21 Ca -0.46 -0.15 -0.05 0.00 1.21 0.00 0.00 56.30 56.85 2h3j h ASN 21 Cb 1.19 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 38.15 2h3j h ASN 21 CO 0.62 0.80 0.20 1.23 -1.29 0.00 0.00 177.43 178.99 2h3j h GLY 22 N 1.00 1.10 1.77 2.83 0.00 -1.99 0.13 103.07 107.91 2h3j h GLY 22 Ca 0.19 -0.66 -0.19 0.00 0.00 0.00 0.00 47.33 46.67 2h3j h GLY 22 CO -0.00 0.61 -0.84 -1.82 0.00 0.00 0.00 176.54 174.49 2h3j h TYR 23 N 0.95 0.30 -0.61 5.60 5.03 -1.91 -2.61 116.97 123.73 2h3j h TYR 23 Ca 0.21 -0.16 0.04 0.00 2.58 0.00 0.00 58.73 61.40 2h3j h TYR 23 Cb 0.30 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.51 2h3j h TYR 23 CO 0.02 0.95 0.40 -0.09 -1.32 0.00 0.00 178.16 178.13 2h3j h ARG 24 N 0.12 0.67 -0.24 1.82 2.43 -0.72 -0.96 114.38 117.49 2h3j h ARG 24 Ca -0.04 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 2h3j h ARG 24 Cb 1.45 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2h3j h ARG 24 CO 0.13 0.44 -0.13 1.96 -1.51 0.00 0.00 179.97 180.86 2h3j h GLN 25 N 0.69 0.40 -0.55 0.20 4.20 -0.37 0.36 115.11 120.04 2h3j h GLN 25 Ca 0.25 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 2h3j h GLN 25 Cb 0.13 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2h3j h GLN 25 CO -0.07 0.53 0.02 -0.09 -0.67 0.00 0.00 178.83 178.54 2h3j h ARG 26 N 0.37 0.95 -0.23 1.46 1.12 -0.98 0.77 114.38 117.84 2h3j h ARG 26 Ca 0.07 -0.29 -0.08 0.00 -1.11 0.00 0.00 59.98 58.57 2h3j h ARG 26 Cb 0.45 -0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.31 2h3j h ARG 26 CO 0.03 0.95 -0.17 -0.07 -3.11 0.00 0.00 179.97 177.60 2h3j h LEU 27 N 0.83 0.55 -0.62 3.80 3.38 -0.99 -2.43 115.31 119.82 2h3j h LEU 27 Ca 0.16 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2h3j h LEU 27 Cb 0.51 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2h3j h LEU 27 CO 0.02 0.87 0.40 0.15 0.09 0.00 0.00 178.44 179.98 2h3j h PHE 28 N 0.22 0.76 -0.23 1.13 3.57 -0.16 0.11 116.94 122.34 2h3j h PHE 28 Ca 0.04 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2h3j h PHE 28 Cb 0.69 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2h3j h PHE 28 CO 0.07 0.46 -0.04 0.77 -2.23 0.00 0.00 178.31 177.33 2h3j h SER 29 N 0.81 0.33 1.38 0.41 0.02 -0.81 -1.25 113.55 114.43 2h3j h SER 29 Ca 0.24 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2h3j h SER 29 Cb -0.04 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2h3j h SER 29 CO -0.07 0.42 0.00 0.24 -1.14 0.00 0.00 176.83 176.28 2h3j h MET 30 N 0.34 0.00 0.00 3.45 2.86 -0.79 -3.47 114.93 117.32 2h3j h MET 30 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2h3j h MET 30 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2h3j h MET 30 CO 0.01 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.39 2h3j n GLY 31 N 0.95 0.87 3.40 8.32 0.00 -0.44 -5.01 105.19 113.27 2h3j n GLY 31 Ca 0.04 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 2h3j n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h3j n LEU 32 N 0.00 5.39 -4.25 0.99 4.77 0.26 -4.90 117.00 119.25 2h3j n LEU 32 Ca 0.00 -4.64 -0.14 0.00 -0.03 0.00 0.00 56.01 51.20 2h3j n LEU 32 Cb 0.00 -1.57 -0.10 0.00 -2.33 0.00 0.00 43.42 39.42 2h3j n LEU 32 CO 0.00 0.94 -0.37 -1.48 -1.33 0.00 0.00 177.39 175.15 2h3j s LEU 33 N 0.63 2.37 0.04 2.23 0.05 -1.26 -4.23 118.68 118.50 2h3j s LEU 33 Ca 0.39 -1.09 -0.32 0.00 0.05 0.00 0.00 54.13 53.17 2h3j s LEU 33 Cb -0.04 -0.22 -0.10 0.00 -2.05 0.00 0.00 46.19 43.78 2h3j s LEU 33 CO -0.02 -0.44 1.89 -2.65 -0.55 0.00 0.00 176.35 174.58 2h3j n PRO 34 N -0.22 2.65 0.00 1.48 -0.02 -1.26 -2.41 135.00 135.22 2h3j n PRO 34 Ca -0.09 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2h3j n PRO 34 Cb 0.62 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2h3j n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h3j n GLY 35 N 4.37 1.98 2.45 -1.23 0.00 -0.19 -4.98 105.19 107.58 2h3j n GLY 35 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.31 -3.54 4.61 0.00 -1.01 -4.89 120.51 115.99 2h3j n ALA 36 Ca 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 53.44 52.05 2h3j n ALA 36 Cb 0.00 0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.86 -1.55 -0.15 0.00 0.00 -1.26 -0.45 121.76 115.50 2h3j s ALA 37 Ca 0.41 1.80 -0.09 0.00 0.00 0.00 0.00 51.96 54.08 2h3j s ALA 37 Cb -0.03 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2h3j s ALA 37 CO 0.27 -0.30 0.15 -0.51 0.00 0.00 0.00 175.76 175.37 2h3j s LEU 38 N 0.46 4.32 -0.40 0.00 2.01 0.17 -4.85 118.68 120.38 2h3j s LEU 38 Ca -0.01 0.40 -0.17 0.00 0.01 0.00 0.00 54.13 54.35 2h3j s LEU 38 Cb -0.05 -2.11 0.01 0.00 0.01 0.00 0.00 46.19 44.06 2h3j s LEU 38 CO -0.01 0.31 0.45 -0.60 1.01 0.00 0.00 176.35 177.50 2h3j s ARG 39 N -0.44 3.22 0.15 1.70 3.52 -0.27 -0.67 118.95 126.17 2h3j s ARG 39 Ca 0.13 -0.63 -0.31 0.00 -0.13 0.00 0.00 55.73 54.78 2h3j s ARG 39 Cb -0.12 -3.93 -0.11 0.00 -1.56 0.00 0.00 34.95 29.23 2h3j s ARG 39 CO 0.02 -0.80 1.78 0.54 -0.81 0.00 0.00 175.30 176.04 2h3j s VAL 40 N 2.19 2.35 -0.18 7.11 0.11 -1.26 0.05 120.40 130.77 2h3j s VAL 40 Ca 0.13 0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 59.10 2h3j s VAL 40 Cb -0.17 -3.03 -0.07 0.00 -1.53 0.00 0.00 36.38 31.58 2h3j s VAL 40 CO 0.14 0.00 -0.29 0.52 -3.33 0.00 0.00 175.10 172.14 2h3j n VAL 41 N 4.45 1.36 -3.93 2.04 0.31 0.16 -4.73 118.33 117.98 2h3j n VAL 41 Ca 0.17 -0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.35 2h3j n VAL 41 Cb 0.37 -2.02 -0.05 0.00 -0.91 0.00 0.00 33.84 31.23 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 1.46 -0.02 5.55 0.52 -0.11 -3.85 118.95 119.91 2h3j s ARG 42 Ca -0.28 -1.14 0.06 0.00 -0.52 0.00 0.00 55.73 53.85 2h3j s ARG 42 Cb 0.08 0.47 -0.01 0.00 0.52 0.00 0.00 34.95 36.01 2h3j s ARG 42 CO 0.38 -0.60 -0.20 0.42 0.02 0.00 0.00 175.30 175.31 2h3j s ILE 43 N -3.97 1.59 0.22 1.52 1.09 -1.26 -0.05 121.20 120.33 2h3j s ILE 43 Ca 0.18 -0.85 -0.30 0.00 -1.10 0.00 0.00 60.65 58.58 2h3j s ILE 43 Cb -0.00 -1.33 -0.09 0.00 -1.06 0.00 0.00 42.46 39.98 2h3j s ILE 43 CO 0.05 0.45 1.32 0.00 -0.10 0.00 0.00 174.94 176.66 2h3j s ALA 44 N -0.41 3.53 -1.84 9.38 0.00 -1.20 -4.87 121.76 126.35 2h3j s ALA 44 Ca 0.06 1.15 0.09 0.00 0.00 0.00 0.00 51.96 53.26 2h3j s ALA 44 Cb -0.08 -3.49 0.52 0.00 0.00 0.00 0.00 23.12 20.07 2h3j s ALA 44 CO -0.00 -0.57 1.04 -2.30 0.00 0.00 0.00 175.76 173.93 2h3j n PRO 45 N 2.34 0.24 0.04 0.00 -0.02 -1.26 -1.36 135.00 134.98 2h3j n PRO 45 Ca 0.05 0.06 0.11 0.00 -2.02 0.00 0.00 63.50 61.70 2h3j n PRO 45 Cb 0.42 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.38 2h3j n PRO 45 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2h3j n LEU 46 N -1.08 0.55 0.00 2.45 7.99 -1.26 -4.93 117.00 120.72 2h3j n LEU 46 Ca 0.06 0.06 0.00 0.00 -0.01 0.00 0.00 56.01 56.12 2h3j n LEU 46 Cb 0.04 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 2h3j n LEU 46 CO 0.06 -0.02 0.00 0.61 -1.51 0.00 0.00 177.39 176.53 2h3j n GLY 47 N 1.30 1.19 3.76 -0.72 0.00 -0.46 -5.06 105.19 105.21 2h3j n GLY 47 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.82 3.06 0.13 1.61 1.01 -1.26 -4.92 116.67 113.48 2h3j s ASP 48 Ca 0.00 0.89 -0.04 0.00 0.71 0.00 0.00 52.55 54.11 2h3j s ASP 48 Cb 0.00 -1.39 -0.03 0.00 1.01 0.00 0.00 42.92 42.50 2h3j s ASP 48 CO 0.00 -2.82 -0.06 -2.65 0.21 0.00 0.00 175.17 169.85 2h3j n PRO 49 N -3.93 0.00 -4.57 8.23 -0.01 -1.25 -3.79 135.00 129.68 2h3j n PRO 49 Ca 0.08 0.00 -0.34 0.00 -0.01 0.00 0.00 63.50 63.23 2h3j n PRO 49 Cb 0.59 -0.22 -0.11 0.00 -0.01 0.00 0.00 33.50 33.75 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 -0.44 3.79 -0.48 4.25 1.01 -1.08 -3.25 121.20 125.00 2h3j s ILE 50 Ca 0.12 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 60.09 2h3j s ILE 50 Cb -0.10 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 39.83 2h3j s ILE 50 CO 0.15 0.58 0.87 -1.58 0.00 0.00 0.00 174.94 174.97 2h3j s GLN 51 N -0.62 3.43 0.49 2.79 0.74 0.92 -2.71 119.66 124.70 2h3j s GLN 51 Ca 0.09 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.46 2h3j s GLN 51 Cb -0.12 -3.96 -0.00 0.00 1.10 0.00 0.00 33.01 30.03 2h3j s GLN 51 CO 0.02 -1.25 0.02 1.33 -0.55 0.00 0.00 175.29 174.85 2h3j n VAL 52 N 6.26 0.00 -4.04 1.34 0.24 0.10 0.38 118.33 122.61 2h3j n VAL 52 Ca 0.04 -2.36 -0.16 0.00 -2.04 0.00 0.00 64.34 59.81 2h3j n VAL 52 Cb 0.48 0.51 -0.15 0.00 -1.47 0.00 0.00 33.84 33.21 2h3j n VAL 52 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2h3j s GLU 53 N -3.77 0.39 -0.11 7.34 2.12 0.11 0.42 118.70 125.20 2h3j s GLU 53 Ca 0.02 -0.05 -0.20 0.00 0.36 0.00 0.00 54.97 55.10 2h3j s GLU 53 Cb 0.00 -0.46 -0.27 0.00 0.26 0.00 0.00 34.13 33.66 2h3j s GLU 53 CO 0.02 -0.03 0.63 1.79 -0.54 0.00 0.00 175.26 177.13 2h3j h THR 54 N 5.70 1.26 0.00 -1.70 1.35 -1.46 -0.70 112.91 117.36 2h3j h THR 54 Ca -0.35 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 2h3j h THR 54 Cb 1.16 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 70.46 2h3j h THR 54 CO 0.49 0.64 0.00 -1.14 -0.25 0.00 0.00 175.52 175.26 2h3j n ARG 55 N -4.16 0.00 -0.06 4.72 0.63 -1.26 -4.84 116.66 111.69 2h3j n ARG 55 Ca -0.21 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.65 2h3j n ARG 55 Cb 0.78 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.64 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 -3.37 0.45 -3.99 -0.14 0.00 -1.26 -5.04 117.38 104.02 2h3j n GLN 56 Ca 0.00 0.06 -0.31 0.00 -0.00 0.00 0.00 57.00 56.75 2h3j n GLN 56 Cb 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 30.24 28.96 2h3j n GLN 56 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2h3j s THR 57 N -2.23 4.91 0.19 1.69 -1.32 -1.26 -5.09 115.64 112.53 2h3j s THR 57 Ca -0.14 -0.59 -0.04 0.00 -1.21 0.00 0.00 61.69 59.71 2h3j s THR 57 Cb 0.04 -3.38 -0.05 0.00 -1.51 0.00 0.00 72.50 67.60 2h3j s THR 57 CO 0.27 0.14 0.42 -0.44 -2.21 0.00 0.00 174.62 172.79 2h3j s SER 58 N -2.42 6.46 -0.01 8.08 0.01 -1.26 -1.17 113.70 123.39 2h3j s SER 58 Ca 0.32 0.57 -0.05 0.00 1.31 0.00 0.00 55.95 58.10 2h3j s SER 58 Cb -0.13 -2.08 -0.00 0.00 0.21 0.00 0.00 66.02 64.02 2h3j s SER 58 CO 0.24 -0.02 0.09 -0.22 0.41 0.00 0.00 173.24 173.74 2h3j s LEU 59 N -3.01 1.71 -0.18 2.44 2.96 0.17 -4.93 118.68 117.84 2h3j s LEU 59 Ca 0.41 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.16 2h3j s LEU 59 Cb -0.12 0.46 -0.01 0.00 0.50 0.00 0.00 46.19 47.02 2h3j s LEU 59 CO 0.27 -0.25 -0.07 0.00 -1.32 0.00 0.00 176.35 174.97 2h3j s ALA 60 N -0.95 2.78 -0.19 5.97 0.00 -1.25 0.01 121.76 128.13 2h3j s ALA 60 Ca -0.10 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 2h3j s ALA 60 Cb -0.06 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 2h3j s ALA 60 CO 0.01 -0.11 -0.03 -0.48 0.00 0.00 0.00 175.76 175.15 2h3j s LEU 61 N 0.93 3.15 1.12 0.00 0.05 -1.10 -4.87 118.68 117.96 2h3j s LEU 61 Ca -0.01 -0.22 -0.15 0.00 0.05 0.00 0.00 54.13 53.80 2h3j s LEU 61 Cb -0.15 -1.78 0.25 0.00 -2.05 0.00 0.00 46.19 42.46 2h3j s LEU 61 CO 0.00 0.08 1.07 -0.13 -0.55 0.00 0.00 176.35 176.83 2h3j s ARG 62 N 0.87 -0.52 0.10 1.48 3.00 -1.26 -2.63 118.95 119.99 2h3j s ARG 62 Ca -0.00 0.43 -0.17 0.00 0.00 0.00 0.00 55.73 55.99 2h3j s ARG 62 Cb -0.14 -1.63 -0.07 0.00 0.00 0.00 0.00 34.95 33.10 2h3j s ARG 62 CO 0.02 -3.35 1.50 0.00 0.00 0.00 0.00 175.30 173.47 2h3j h ARG 63 N -2.33 0.57 -0.32 3.54 2.47 -1.93 0.44 114.38 116.82 2h3j h ARG 63 Ca -0.54 -0.22 -0.17 0.00 -1.26 0.00 0.00 59.98 57.79 2h3j h ARG 63 Cb 1.33 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.61 2h3j h ARG 63 CO 0.50 0.76 -0.47 -0.22 0.56 0.00 0.00 179.97 181.10 2h3j h LYS 64 N 0.34 0.88 -0.40 0.04 3.64 -1.98 -0.47 116.57 118.62 2h3j h LYS 64 Ca 0.08 -0.52 -0.05 0.00 -1.27 0.00 0.00 60.65 58.89 2h3j h LYS 64 Cb 0.54 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2h3j h LYS 64 CO 0.03 1.16 0.05 0.22 -2.27 0.00 0.00 179.45 178.64 2h3j h ASP 65 N 0.67 0.58 -0.28 4.20 3.58 -1.89 -1.56 116.42 121.71 2h3j h ASP 65 Ca 0.03 -0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.24 2h3j h ASP 65 Cb 1.07 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 2h3j h ASP 65 CO 0.11 0.61 -0.31 0.25 -2.88 0.00 0.00 179.24 177.02 2h3j h LEU 66 N 0.60 0.84 -1.14 2.28 5.85 0.03 -3.08 115.31 120.69 2h3j h LEU 66 Ca 0.13 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2h3j h LEU 66 Cb 0.30 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2h3j h LEU 66 CO 0.01 1.08 0.00 0.00 -0.34 0.00 0.00 178.44 179.19 2h3j h ALA 67 N 0.97 1.00 0.00 1.25 0.00 -0.06 -0.86 119.26 121.56 2h3j h ALA 67 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2h3j h ALA 67 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2h3j h ALA 67 CO 0.07 0.00 -0.81 -0.07 0.00 0.00 0.00 179.25 178.45 2h3j h LEU 68 N 0.00 0.00 -9.54 0.00 3.38 -1.39 -3.42 115.31 104.34 2h3j h LEU 68 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2h3j h LEU 68 Cb 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 2h3j h LEU 68 CO 0.00 0.47 -0.54 -0.76 0.09 0.00 0.00 178.44 177.70 2h3j s LEU 69 N -6.16 4.06 -0.37 1.67 1.43 -0.33 -0.76 118.68 118.22 2h3j s LEU 69 Ca 0.02 0.30 -0.16 0.00 -1.03 0.00 0.00 54.13 53.25 2h3j s LEU 69 Cb 0.08 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.20 2h3j s LEU 69 CO 0.77 0.36 0.41 -0.89 0.23 0.00 0.00 176.35 177.23 2h3j s THR 70 N -1.06 5.11 -0.04 5.49 2.01 0.95 -4.66 115.64 123.46 2h3j s THR 70 Ca 0.17 -0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.20 2h3j s THR 70 Cb -0.12 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 2h3j s THR 70 CO 0.07 -0.23 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.77 2h3j s LEU 71 N 2.12 2.04 0.06 4.42 1.43 -1.26 -1.42 118.68 126.08 2h3j s LEU 71 Ca 0.13 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 2h3j s LEU 71 Cb -0.17 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 2h3j s LEU 71 CO 0.13 0.26 -0.12 0.68 0.23 0.00 0.00 176.35 177.52 2h3j s VAL 72 N -0.30 0.94 1.03 -1.59 -7.23 -0.09 -4.95 120.40 108.21 2h3j s VAL 72 Ca 0.01 -1.25 -0.11 0.00 -1.81 0.00 0.00 61.98 58.82 2h3j s VAL 72 Cb -0.12 -0.95 0.21 0.00 0.56 0.00 0.00 36.38 36.08 2h3j s VAL 72 CO 0.02 -0.29 1.10 -2.84 -0.31 0.00 0.00 175.10 172.78 2h3j s PRO 73 N -1.74 0.15 0.13 4.82 0.02 -1.26 0.56 135.00 137.68 2h3j s PRO 73 Ca -0.04 1.28 0.15 0.00 0.02 0.00 0.00 61.00 62.42 2h3j s PRO 73 Cb -0.10 -1.65 0.69 0.00 0.02 0.00 0.00 34.50 33.47 2h3j s PRO 73 CO 0.02 -3.14 1.47 1.28 -0.33 0.00 0.00 177.00 176.30 2h3j n LEU 74 N -4.56 0.29 0.00 -5.54 4.77 -0.61 -4.49 117.00 106.86 2h3j n LEU 74 Ca 0.08 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 2h3j n LEU 74 Cb 0.53 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2h3j n LEU 74 CO 0.52 -0.51 0.00 -0.67 -1.33 0.00 0.00 177.39 175.40