#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ndp s LEU 6 N 0.00 4.45 -0.29 2.23 2.96 -1.26 -4.91 118.68 121.85 3ndp s LEU 6 Ca 0.00 2.53 -0.00 0.00 -0.22 0.00 0.00 54.13 56.44 3ndp s LEU 6 Cb 0.00 -3.63 0.09 0.00 0.50 0.00 0.00 46.19 43.15 3ndp s LEU 6 CO 0.00 -0.47 0.06 -0.13 -1.32 0.00 0.00 176.35 174.49 3ndp s ARG 7 N -1.18 0.96 -0.01 1.98 3.00 -1.26 -0.02 118.95 122.41 3ndp s ARG 7 Ca 0.51 -1.08 0.08 0.00 0.00 0.00 0.00 55.73 55.24 3ndp s ARG 7 Cb -0.37 -2.27 -0.02 0.00 0.00 0.00 0.00 34.95 32.29 3ndp s ARG 7 CO 0.46 -0.87 -0.26 0.00 0.00 0.00 0.00 175.30 174.63 3ndp s ALA 8 N 1.52 2.15 -0.01 2.13 0.00 -0.12 0.03 121.76 127.46 3ndp s ALA 8 Ca 0.06 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 50.95 3ndp s ALA 8 Cb -0.18 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 3ndp s ALA 8 CO -0.17 0.53 -0.22 0.08 0.00 0.00 0.00 175.76 175.98 3ndp s VAL 9 N -0.64 1.70 -0.12 0.00 1.01 0.19 -0.01 120.40 122.54 3ndp s VAL 9 Ca 0.10 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3ndp s VAL 9 Cb -0.10 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.88 3ndp s VAL 9 CO -0.00 0.46 -0.14 -0.63 0.00 0.00 0.00 175.10 174.78 3ndp s ILE 10 N -0.53 1.45 0.19 2.22 -1.09 0.56 0.05 121.20 124.05 3ndp s ILE 10 Ca 0.08 -0.59 0.09 0.00 -2.23 0.00 0.00 60.65 58.01 3ndp s ILE 10 Cb -0.08 -1.35 -0.04 0.00 -1.58 0.00 0.00 42.46 39.40 3ndp s ILE 10 CO -0.01 0.43 -0.19 -0.76 -1.23 0.00 0.00 174.94 173.19 3ndp s LEU 11 N 1.21 2.48 0.00 2.97 1.43 0.64 -0.51 118.68 126.91 3ndp s LEU 11 Ca -0.02 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 3ndp s LEU 11 Cb -0.14 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.17 3ndp s LEU 11 CO -0.05 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.13 3ndp n GLY 12 N 0.04 3.37 3.85 -3.19 0.00 -1.26 -0.27 105.19 107.73 3ndp n GLY 12 Ca -0.11 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 3ndp n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ndp s PRO 13 N -2.00 3.01 0.41 1.61 0.04 -1.26 -4.82 135.00 131.99 3ndp s PRO 13 Ca 0.00 0.69 -0.26 0.00 0.04 0.00 0.00 61.00 61.47 3ndp s PRO 13 Cb 0.00 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3ndp s PRO 13 CO 0.00 -0.98 1.31 -2.30 0.04 0.00 0.00 177.00 175.07 3ndp n PRO 14 N -3.01 2.05 -0.31 0.56 -0.02 -1.26 -1.90 135.00 131.11 3ndp n PRO 14 Ca 0.07 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3ndp n PRO 14 Cb 0.55 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3ndp n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ndp n GLY 15 N 0.75 0.92 0.42 -1.23 0.00 -1.26 -4.72 105.19 100.07 3ndp n GLY 15 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 3ndp n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ndp n SER 16 N 0.00 1.32 0.00 1.61 3.41 -0.80 -4.53 113.62 114.63 3ndp n SER 16 Ca 0.00 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 3ndp n SER 16 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3ndp n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ndp n GLY 17 N 1.14 0.41 0.31 5.00 0.00 -1.26 -4.49 105.19 106.30 3ndp n GLY 17 Ca 0.19 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.27 3ndp n GLY 17 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ndp h LYS 18 N 0.16 0.85 -0.03 1.61 3.64 -1.91 -1.85 116.57 119.04 3ndp h LYS 18 Ca 0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3ndp h LYS 18 Cb 0.00 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3ndp h LYS 18 CO 0.00 0.76 0.02 0.78 -2.27 0.00 0.00 179.45 178.74 3ndp h GLY 19 N 0.98 0.05 1.00 5.01 0.00 -1.97 -0.12 103.07 108.02 3ndp h GLY 19 Ca 0.18 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.50 3ndp h GLY 19 CO -0.00 0.02 0.51 -0.84 0.00 0.00 0.00 176.54 176.23 3ndp h THR 20 N 0.05 1.19 -0.35 4.70 2.02 -1.92 -1.91 112.91 116.69 3ndp h THR 20 Ca 0.01 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 3ndp h THR 20 Cb -0.00 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 3ndp h THR 20 CO -0.00 0.19 0.11 0.58 0.37 0.00 0.00 175.52 176.77 3ndp h VAL 21 N 1.05 1.21 -0.69 3.16 2.07 -1.01 -1.95 116.25 120.09 3ndp h VAL 21 Ca 0.29 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3ndp h VAL 21 Cb -0.11 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3ndp h VAL 21 CO -0.07 0.24 0.22 0.00 0.02 0.00 0.00 177.57 177.99 3ndp h GLN 23 N 1.01 0.34 -0.85 0.00 4.15 -1.26 -0.95 115.11 117.55 3ndp h GLN 23 Ca 0.22 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 3ndp h GLN 23 Cb 0.29 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 3ndp h GLN 23 CO -0.01 0.33 0.49 0.00 -1.93 0.00 0.00 178.83 177.70 3ndp h ARG 24 N 0.26 1.16 -0.36 1.69 3.08 -1.08 -1.40 114.38 117.73 3ndp h ARG 24 Ca 0.08 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3ndp h ARG 24 Cb 0.10 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3ndp h ARG 24 CO -0.01 0.83 0.10 0.82 -1.07 0.00 0.00 179.97 180.64 3ndp h ILE 25 N 1.18 1.22 -0.41 2.04 2.04 -0.80 -1.64 117.51 121.14 3ndp h ILE 25 Ca 0.30 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.44 3ndp h ILE 25 Cb -0.01 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3ndp h ILE 25 CO -0.05 0.25 0.24 0.00 0.00 0.00 0.00 178.15 178.59 3ndp h ALA 26 N 0.94 0.52 -0.12 1.87 0.00 -0.78 -0.10 119.26 121.59 3ndp h ALA 26 Ca 0.11 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3ndp h ALA 26 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ndp h ALA 26 CO -0.00 -0.08 -0.63 -0.56 0.00 0.00 0.00 179.25 177.97 3ndp h GLN 27 N 0.49 0.44 0.00 0.00 3.07 -1.18 0.63 115.11 118.57 3ndp h GLN 27 Ca 0.16 -0.31 -0.05 0.00 0.09 0.00 0.00 58.65 58.54 3ndp h GLN 27 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.61 3ndp h GLN 27 CO -0.07 0.93 -0.80 -0.91 0.09 0.00 0.00 178.83 178.07 3ndp h ASN 28 N 0.32 0.00 0.00 0.06 4.21 -1.21 -3.37 115.58 115.58 3ndp h ASN 28 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 3ndp h ASN 28 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 3ndp h ASN 28 CO 0.11 0.20 0.00 0.49 -1.29 0.00 0.00 177.43 176.94 3ndp n PHE 29 N -2.90 0.00 -3.58 1.19 3.72 -0.06 -1.54 117.46 114.30 3ndp n PHE 29 Ca -0.01 -0.19 -0.26 0.00 -0.05 0.00 0.00 57.45 56.94 3ndp n PHE 29 Cb 0.64 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 39.21 3ndp n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ndp n GLY 30 N -0.19 -0.53 3.83 1.37 0.00 0.21 -4.75 105.19 105.13 3ndp n GLY 30 Ca 0.00 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3ndp n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ndp s LEU 31 N -7.15 4.09 0.04 0.99 1.43 -1.17 -2.70 118.68 114.21 3ndp s LEU 31 Ca 0.55 0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 3ndp s LEU 31 Cb -0.26 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 3ndp s LEU 31 CO 0.69 0.29 1.12 -1.58 0.23 0.00 0.00 176.35 177.09 3ndp s GLN 32 N -1.68 4.48 -0.58 1.70 0.74 -1.26 -4.44 119.66 118.62 3ndp s GLN 32 Ca 0.23 1.64 -0.28 0.00 0.05 0.00 0.00 55.36 57.00 3ndp s GLN 32 Cb -0.12 -3.39 0.02 0.00 1.10 0.00 0.00 33.01 30.62 3ndp s GLN 32 CO 0.14 -0.18 1.38 -1.58 -0.55 0.00 0.00 175.29 174.49 3ndp s HIS 33 N 1.04 2.33 0.05 1.67 5.65 -1.26 -3.83 115.29 120.93 3ndp s HIS 33 Ca 0.56 0.43 0.02 0.00 0.25 0.00 0.00 55.06 56.32 3ndp s HIS 33 Cb -0.26 -4.42 -0.04 0.00 -1.18 0.00 0.00 32.58 26.67 3ndp s HIS 33 CO 0.29 -1.93 0.06 -0.51 -0.65 0.00 0.00 174.74 172.01 3ndp s LEU 34 N 5.90 3.77 -0.01 8.88 1.43 -0.41 -4.99 118.68 133.26 3ndp s LEU 34 Ca 0.50 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.33 3ndp s LEU 34 Cb -0.10 -2.35 0.10 0.00 0.03 0.00 0.00 46.19 43.87 3ndp s LEU 34 CO 0.24 0.21 0.95 -0.94 0.23 0.00 0.00 176.35 177.05 3ndp s SER 35 N -2.11 -0.30 0.39 2.29 1.04 -1.26 -0.55 113.70 113.21 3ndp s SER 35 Ca 0.26 -0.06 0.13 0.00 0.48 0.00 0.00 55.95 56.77 3ndp s SER 35 Cb -0.12 0.36 0.80 0.00 0.10 0.00 0.00 66.02 67.16 3ndp s SER 35 CO 0.18 -0.60 1.87 0.77 0.98 0.00 0.00 173.24 176.44 3ndp h SER 36 N 2.00 0.00 -0.43 7.02 4.64 -1.91 -2.19 113.55 122.68 3ndp h SER 36 Ca -0.21 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 3ndp h SER 36 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3ndp h SER 36 CO 0.29 0.32 0.22 1.23 -0.87 0.00 0.00 176.83 178.03 3ndp h GLY 37 N 0.99 0.64 0.84 -0.77 0.00 -1.69 0.10 103.07 103.18 3ndp h GLY 37 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3ndp h GLY 37 CO 0.04 0.29 0.04 0.45 0.00 0.00 0.00 176.54 177.36 3ndp h HIS 38 N 0.55 0.19 -0.71 5.60 -0.00 -1.70 -1.68 115.15 117.41 3ndp h HIS 38 Ca 0.15 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.47 3ndp h HIS 38 Cb 0.08 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.40 3ndp h HIS 38 CO -0.02 0.32 0.30 0.74 -0.00 0.00 0.00 177.93 179.27 3ndp h PHE 39 N 0.00 1.04 -0.20 2.45 0.05 -1.32 -2.65 116.94 116.32 3ndp h PHE 39 Ca 0.04 -0.06 -0.02 0.00 3.82 0.00 0.00 57.97 61.75 3ndp h PHE 39 Cb 0.22 -0.32 -0.01 0.00 2.00 0.00 0.00 35.95 37.84 3ndp h PHE 39 CO -0.00 0.78 0.05 -0.07 -0.18 0.00 0.00 178.31 178.89 3ndp h LEU 40 N 1.02 0.29 -0.68 1.54 3.38 -0.67 0.70 115.31 120.89 3ndp h LEU 40 Ca 0.24 -0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.13 3ndp h LEU 40 Cb 0.16 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 3ndp h LEU 40 CO -0.02 0.44 0.12 -0.09 0.09 0.00 0.00 178.44 178.97 3ndp h ARG 41 N 0.13 0.22 0.42 1.13 2.43 -0.94 0.76 114.38 118.53 3ndp h ARG 41 Ca 0.06 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3ndp h ARG 41 Cb 0.26 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3ndp h ARG 41 CO -0.00 0.14 -0.20 0.93 -1.51 0.00 0.00 179.97 179.33 3ndp h GLU 42 N 0.22 -0.54 -0.78 0.20 5.08 -1.20 -1.56 114.58 116.01 3ndp h GLU 42 Ca 0.37 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.83 3ndp h GLU 42 Cb 0.62 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 3ndp h GLU 42 CO -0.50 -0.25 0.46 -0.91 -1.00 0.00 0.00 179.01 176.81 3ndp h ASN 43 N -0.78 0.71 0.20 1.42 2.35 0.19 0.59 115.58 120.26 3ndp h ASN 43 Ca -0.06 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.61 3ndp h ASN 43 Cb 0.53 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3ndp h ASN 43 CO 0.09 0.46 -0.41 0.40 -1.65 0.00 0.00 177.43 176.32 3ndp h ILE 44 N 0.85 1.31 -0.49 2.81 2.04 0.48 0.32 117.51 124.82 3ndp h ILE 44 Ca 0.34 -1.52 -0.12 0.00 1.00 0.00 0.00 64.86 64.56 3ndp h ILE 44 Cb 0.18 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3ndp h ILE 44 CO -0.18 0.46 -0.18 0.50 0.00 0.00 0.00 178.15 178.75 3ndp h LYS 45 N 0.23 0.99 0.00 2.37 3.64 -0.23 -2.98 116.57 120.59 3ndp h LYS 45 Ca 0.02 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3ndp h LYS 45 Cb 0.82 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3ndp h LYS 45 CO 0.06 1.08 -0.35 0.00 -2.27 0.00 0.00 179.45 177.97 3ndp n ALA 46 N -2.51 3.00 -3.16 5.00 0.00 0.10 -4.98 120.51 117.96 3ndp n ALA 46 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 3ndp n ALA 46 Cb 0.44 -1.25 0.07 0.00 0.00 0.00 0.00 19.45 18.71 3ndp n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ndp n SER 47 N -1.68 -6.15 -4.94 0.00 2.88 0.11 -5.02 113.62 98.82 3ndp n SER 47 Ca 0.05 -0.66 -0.24 0.00 -1.33 0.00 0.00 58.87 56.69 3ndp n SER 47 Cb 0.36 -4.94 0.05 0.00 -0.75 0.00 0.00 64.21 58.93 3ndp n SER 47 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3ndp s THR 48 N -3.37 2.75 0.26 2.46 -4.23 -0.94 -4.88 115.64 107.70 3ndp s THR 48 Ca 0.41 -0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.55 3ndp s THR 48 Cb -0.05 -3.12 0.27 0.00 1.34 0.00 0.00 72.50 70.94 3ndp s THR 48 CO 0.70 -0.11 1.90 -0.33 -0.54 0.00 0.00 174.62 176.24 3ndp h GLU 49 N -0.28 1.21 -0.36 3.99 5.08 -1.95 -0.39 114.58 121.89 3ndp h GLU 49 Ca -0.44 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 57.73 3ndp h GLU 49 Cb 1.30 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3ndp h GLU 49 CO 0.58 0.80 -0.24 0.28 -1.00 0.00 0.00 179.01 179.43 3ndp h VAL 50 N 1.25 1.29 -0.81 3.13 2.07 -1.94 -1.57 116.25 119.67 3ndp h VAL 50 Ca 0.41 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.55 3ndp h VAL 50 Cb 0.04 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3ndp h VAL 50 CO -0.14 0.46 0.53 1.23 0.02 0.00 0.00 177.57 179.67 3ndp h GLY 51 N 0.58 1.13 0.94 2.17 0.00 -1.63 -2.11 103.07 104.15 3ndp h GLY 51 Ca 0.07 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3ndp h GLY 51 CO 0.07 0.41 -0.05 0.83 0.00 0.00 0.00 176.54 177.80 3ndp h GLU 52 N 1.09 -0.13 -0.99 4.80 5.08 -0.91 0.36 114.58 123.89 3ndp h GLU 52 Ca 0.30 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.88 3ndp h GLU 52 Cb -0.12 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.06 3ndp h GLU 52 CO -0.07 -0.03 0.62 0.52 -1.00 0.00 0.00 179.01 179.05 3ndp h MET 53 N -0.19 0.59 0.01 2.33 2.86 -0.97 -0.53 114.93 119.02 3ndp h MET 53 Ca -0.01 -0.04 -0.23 0.00 -2.06 0.00 0.00 59.70 57.36 3ndp h MET 53 Cb 0.15 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3ndp h MET 53 CO 0.02 0.39 -1.12 0.00 1.06 0.00 0.00 176.91 177.26 3ndp h ALA 54 N 1.64 0.40 -0.58 6.32 0.00 -0.87 -3.35 119.26 122.83 3ndp h ALA 54 Ca 0.56 -1.00 0.11 0.00 0.00 0.00 0.00 54.91 54.59 3ndp h ALA 54 Cb 1.09 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 3ndp h ALA 54 CO -0.33 1.29 0.06 -0.22 0.00 0.00 0.00 179.25 180.05 3ndp h LYS 55 N 0.00 0.17 -0.75 0.00 3.64 0.14 -2.25 116.57 117.53 3ndp h LYS 55 Ca -0.06 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.46 3ndp h LYS 55 Cb 1.82 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 33.50 3ndp h LYS 55 CO 0.13 0.12 0.25 1.96 -2.27 0.00 0.00 179.45 179.63 3ndp h GLN 56 N 0.18 0.35 -0.16 1.90 4.20 -1.67 -0.77 115.11 119.14 3ndp h GLN 56 Ca 0.30 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.80 3ndp h GLN 56 Cb 0.46 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.17 3ndp h GLN 56 CO -0.44 0.23 -0.63 1.88 -0.67 0.00 0.00 178.83 179.20 3ndp h TYR 57 N 0.36 0.94 -0.61 2.96 -1.99 -1.63 -3.29 116.97 113.71 3ndp h TYR 57 Ca 0.42 -0.40 0.04 0.00 2.00 0.00 0.00 58.73 60.79 3ndp h TYR 57 Cb 0.69 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 39.22 3ndp h TYR 57 CO -0.21 1.21 0.36 0.82 -0.00 0.00 0.00 178.16 180.34 3ndp h ILE 58 N 0.41 1.03 -0.76 -2.88 2.04 -0.91 0.22 117.51 116.65 3ndp h ILE 58 Ca -0.03 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.63 3ndp h ILE 58 Cb 1.26 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3ndp h ILE 58 CO 0.13 0.13 0.50 -0.33 0.00 0.00 0.00 178.15 178.58 3ndp h GLU 59 N 0.69 0.89 -0.40 2.37 4.39 -1.23 0.67 114.58 121.96 3ndp h GLU 59 Ca 0.26 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3ndp h GLU 59 Cb 0.08 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3ndp h GLU 59 CO -0.13 0.59 0.00 1.63 -1.16 0.00 0.00 179.01 179.93 3ndp n LYS 60 N -4.46 1.93 -3.67 2.33 4.76 -0.98 -4.90 118.16 113.18 3ndp n LYS 60 Ca 0.10 -1.34 -0.25 0.00 -2.87 0.00 0.00 58.31 53.95 3ndp n LYS 60 Cb 0.13 -1.33 0.04 0.00 -1.84 0.00 0.00 35.03 32.03 3ndp n LYS 60 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3ndp n SER 61 N 0.55 -3.49 -4.54 4.39 7.64 0.23 -4.99 113.62 113.40 3ndp n SER 61 Ca 0.12 -0.91 -0.25 0.00 1.01 0.00 0.00 58.87 58.84 3ndp n SER 61 Cb 0.34 -3.79 -0.11 0.00 -1.01 0.00 0.00 64.21 59.64 3ndp n SER 61 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ndp s LEU 62 N -6.46 2.61 0.20 -3.43 1.43 0.74 -5.01 118.68 108.76 3ndp s LEU 62 Ca 0.26 -1.34 -0.29 0.00 -1.03 0.00 0.00 54.13 51.73 3ndp s LEU 62 Cb -0.08 -0.72 -0.08 0.00 0.03 0.00 0.00 46.19 45.34 3ndp s LEU 62 CO 0.83 -0.46 0.93 -0.76 0.23 0.00 0.00 176.35 177.12 3ndp s LEU 63 N -3.61 4.61 -0.02 1.79 1.43 -1.26 -4.15 118.68 117.48 3ndp s LEU 63 Ca 0.35 1.88 -0.29 0.00 -1.03 0.00 0.00 54.13 55.03 3ndp s LEU 63 Cb 0.08 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 3ndp s LEU 63 CO 0.16 0.11 0.96 -0.69 0.23 0.00 0.00 176.35 177.13 3ndp s VAL 64 N -0.91 4.87 0.35 -1.59 1.01 -1.26 -4.91 120.40 117.97 3ndp s VAL 64 Ca 0.42 2.01 -0.26 0.00 0.00 0.00 0.00 61.98 64.15 3ndp s VAL 64 Cb -0.25 -4.30 -0.12 0.00 0.00 0.00 0.00 36.38 31.71 3ndp s VAL 64 CO 0.31 0.15 1.05 -2.65 0.00 0.00 0.00 175.10 173.96 3ndp n PRO 65 N 4.03 1.48 -0.33 2.72 -0.02 -1.26 -4.86 135.00 136.77 3ndp n PRO 65 Ca 0.06 0.52 0.06 0.00 -2.02 0.00 0.00 63.50 62.12 3ndp n PRO 65 Cb 0.51 -2.00 0.25 0.00 -0.02 0.00 0.00 33.50 32.23 3ndp n PRO 65 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ndp h ASP 66 N 1.90 0.90 -0.29 2.55 3.32 -2.00 -2.42 116.42 120.37 3ndp h ASP 66 Ca -0.43 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.57 3ndp h ASP 66 Cb 1.33 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 3ndp h ASP 66 CO 0.59 0.54 -0.07 1.12 -1.72 0.00 0.00 179.24 179.69 3ndp h HIS 67 N 1.00 0.73 -0.11 4.55 2.07 -1.99 -0.93 115.15 120.47 3ndp h HIS 67 Ca 0.44 -0.11 0.01 0.00 -2.85 0.00 0.00 60.37 57.85 3ndp h HIS 67 Cb 0.35 -0.20 -0.01 0.00 2.57 0.00 0.00 27.41 30.12 3ndp h HIS 67 CO -0.00 0.74 0.03 -0.39 -3.07 0.00 0.00 177.93 175.24 3ndp h VAL 68 N 0.63 0.97 -0.75 6.12 -1.51 -1.80 -0.69 116.25 119.22 3ndp h VAL 68 Ca 0.12 -0.03 0.04 0.00 -1.23 0.00 0.00 66.70 65.60 3ndp h VAL 68 Cb 0.50 0.88 -0.05 0.00 -2.13 0.00 0.00 31.29 30.49 3ndp h VAL 68 CO 0.03 0.02 0.47 0.40 -1.23 0.00 0.00 177.57 177.25 3ndp h ILE 69 N 0.09 1.07 -0.14 7.19 1.08 -1.33 -1.68 117.51 123.79 3ndp h ILE 69 Ca 0.04 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 3ndp h ILE 69 Cb 0.03 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 33.86 3ndp h ILE 69 CO -0.05 0.16 -0.00 0.74 -0.69 0.00 0.00 178.15 178.31 3ndp h THR 70 N 0.89 0.90 -0.45 -0.27 2.02 -0.58 0.83 112.91 116.26 3ndp h THR 70 Ca 0.31 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 67.54 3ndp h THR 70 Cb 0.07 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 3ndp h THR 70 CO -0.13 0.01 0.13 0.03 0.37 0.00 0.00 175.52 175.93 3ndp h ARG 71 N 0.04 0.28 -0.03 6.66 -0.00 -0.75 0.87 114.38 121.46 3ndp h ARG 71 Ca 0.06 -0.02 0.02 0.00 -0.50 0.00 0.00 59.98 59.55 3ndp h ARG 71 Cb 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 29.97 29.96 3ndp h ARG 71 CO -0.11 0.19 -0.11 1.25 0.00 0.00 0.00 179.97 181.19 3ndp h LEU 72 N 0.29 -0.33 -0.40 3.04 5.85 -0.75 -1.42 115.31 121.60 3ndp h LEU 72 Ca 0.22 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 3ndp h LEU 72 Cb 0.24 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3ndp h LEU 72 CO -0.24 -0.16 0.11 0.24 -0.34 0.00 0.00 178.44 178.04 3ndp h MET 73 N -0.18 0.64 -0.63 1.25 2.86 -0.38 -1.55 114.93 116.95 3ndp h MET 73 Ca 0.05 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 3ndp h MET 73 Cb 0.24 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 3ndp h MET 73 CO -0.13 0.65 0.22 0.52 1.06 0.00 0.00 176.91 179.23 3ndp h MET 74 N 0.51 0.94 -0.06 1.72 2.86 -0.72 0.17 114.93 120.36 3ndp h MET 74 Ca 0.13 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3ndp h MET 74 Cb 0.30 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3ndp h MET 74 CO -0.00 0.80 -0.00 0.77 1.06 0.00 0.00 176.91 179.53 3ndp h SER 75 N 0.92 0.10 -0.27 1.22 0.02 -1.11 -2.18 113.55 112.24 3ndp h SER 75 Ca 0.21 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 3ndp h SER 75 Cb 0.23 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3ndp h SER 75 CO -0.01 0.41 0.09 -0.33 -1.14 0.00 0.00 176.83 175.84 3ndp h GLU 76 N -0.21 0.43 -0.45 3.45 4.39 -1.07 -2.98 114.58 118.14 3ndp h GLU 76 Ca 0.02 -0.09 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 3ndp h GLU 76 Cb 0.36 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3ndp h GLU 76 CO 0.00 0.49 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.09 3ndp h LEU 77 N 0.28 0.90 -2.04 1.33 3.38 -0.72 -2.53 115.31 115.90 3ndp h LEU 77 Ca 0.09 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3ndp h LEU 77 Cb 0.24 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3ndp h LEU 77 CO -0.00 1.06 0.04 -0.33 0.09 0.00 0.00 178.44 179.30 3ndp h GLU 78 N 0.78 0.00 -0.44 1.13 5.08 -1.39 0.42 114.58 120.16 3ndp h GLU 78 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3ndp h GLU 78 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3ndp h GLU 78 CO 0.06 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.16 3ndp n ASN 79 N -4.45 1.97 -1.10 1.42 5.03 -0.96 -3.81 115.26 113.36 3ndp n ASN 79 Ca -0.02 -2.10 0.03 0.00 0.87 0.00 0.00 54.58 53.37 3ndp n ASN 79 Cb 0.15 -0.30 0.04 0.00 -1.02 0.00 0.00 39.78 38.65 3ndp n ASN 79 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3ndp n ARG 80 N 0.35 0.21 0.26 3.52 1.74 0.15 -4.86 116.66 118.02 3ndp n ARG 80 Ca 0.10 -1.90 0.09 0.00 -0.77 0.00 0.00 57.85 55.37 3ndp n ARG 80 Cb 0.36 -0.35 0.66 0.00 -1.02 0.00 0.00 32.46 32.11 3ndp n ARG 80 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ndp h ARG 81 N 0.71 0.00 -0.48 5.56 3.08 -1.61 -2.62 114.38 119.03 3ndp h ARG 81 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3ndp h ARG 81 Cb 1.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.70 3ndp h ARG 81 CO 0.06 0.08 0.00 0.41 -1.07 0.00 0.00 179.97 179.45 3ndp n GLY 82 N -1.18 0.21 3.11 0.04 0.00 -1.26 -4.84 105.19 101.26 3ndp n GLY 82 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3ndp n GLY 82 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ndp s GLN 83 N -1.52 0.62 0.48 1.61 -2.07 -0.99 -5.07 119.66 112.73 3ndp s GLN 83 Ca 0.00 -1.05 -0.23 0.00 -1.82 0.00 0.00 55.36 52.25 3ndp s GLN 83 Cb 0.00 0.23 -0.07 0.00 -1.09 0.00 0.00 33.01 32.08 3ndp s GLN 83 CO 0.00 -0.14 1.29 -1.01 -1.32 0.00 0.00 175.29 174.11 3ndp s HIS 84 N -3.51 2.62 -0.11 9.60 3.76 -1.26 -4.84 115.29 121.55 3ndp s HIS 84 Ca 0.03 1.42 0.02 0.00 -0.15 0.00 0.00 55.06 56.39 3ndp s HIS 84 Cb 0.05 -3.65 -0.01 0.00 1.11 0.00 0.00 32.58 30.08 3ndp s HIS 84 CO -0.09 -2.26 -0.18 -1.58 -0.85 0.00 0.00 174.74 169.78 3ndp s TRP 85 N -1.36 2.69 -0.40 1.40 0.51 0.96 -4.67 118.94 118.07 3ndp s TRP 85 Ca 0.65 -0.73 0.04 0.00 -2.12 0.00 0.00 56.10 53.94 3ndp s TRP 85 Cb -0.36 -1.76 0.11 0.00 -0.81 0.00 0.00 33.47 30.65 3ndp s TRP 85 CO 0.45 -0.24 0.12 -1.17 -0.51 0.00 0.00 176.95 175.60 3ndp s LEU 86 N 0.19 4.62 -0.27 2.99 2.96 -1.25 -0.94 118.68 126.97 3ndp s LEU 86 Ca -0.10 -2.46 -0.17 0.00 -0.22 0.00 0.00 54.13 51.17 3ndp s LEU 86 Cb -0.16 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3ndp s LEU 86 CO 0.06 -0.33 0.50 -0.76 -1.32 0.00 0.00 176.35 174.50 3ndp s LEU 87 N 0.48 4.07 -0.24 -0.68 1.43 0.99 -1.29 118.68 123.46 3ndp s LEU 87 Ca 0.13 0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 53.60 3ndp s LEU 87 Cb -0.21 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 3ndp s LEU 87 CO -0.05 -0.29 0.06 -0.62 0.23 0.00 0.00 176.35 175.68 3ndp s ASP 88 N 1.58 5.17 -0.71 2.29 2.15 0.29 -0.33 116.67 127.11 3ndp s ASP 88 Ca 0.20 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.01 3ndp s ASP 88 Cb -0.16 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 3ndp s ASP 88 CO 0.10 0.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.71 3ndp n GLY 89 N 4.68 0.90 3.23 2.66 0.00 0.34 -4.43 105.19 112.56 3ndp n GLY 89 Ca -0.16 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 3ndp n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ndp s PHE 90 N -2.24 -0.38 0.60 1.61 2.19 -1.26 -4.52 117.98 113.97 3ndp s PHE 90 Ca 0.00 0.93 -0.13 0.00 0.33 0.00 0.00 56.93 58.06 3ndp s PHE 90 Cb 0.00 0.13 -0.04 0.00 -1.31 0.00 0.00 43.02 41.80 3ndp s PHE 90 CO 0.00 -0.19 1.02 -1.25 1.83 0.00 0.00 175.22 176.63 3ndp s PRO 91 N 0.27 3.57 -0.00 10.12 0.04 -1.26 -4.75 135.00 142.99 3ndp s PRO 91 Ca -0.01 0.88 0.08 0.00 0.04 0.00 0.00 61.00 61.99 3ndp s PRO 91 Cb -0.03 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 3ndp s PRO 91 CO -0.00 -0.59 0.32 0.54 0.04 0.00 0.00 177.00 177.31 3ndp n ARG 92 N -2.42 3.67 -4.19 4.56 1.74 -1.26 -4.93 116.66 113.83 3ndp n ARG 92 Ca 0.07 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 57.01 3ndp n ARG 92 Cb 0.54 -0.93 -0.10 0.00 -1.02 0.00 0.00 32.46 30.94 3ndp n ARG 92 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3ndp s THR 93 N -1.90 0.85 0.23 0.55 -4.23 -1.26 -3.73 115.64 106.16 3ndp s THR 93 Ca 0.02 -1.92 -0.08 0.00 -1.18 0.00 0.00 61.69 58.53 3ndp s THR 93 Cb 0.06 -1.67 0.22 0.00 1.34 0.00 0.00 72.50 72.45 3ndp s THR 93 CO 0.34 -0.79 1.91 0.25 -0.54 0.00 0.00 174.62 175.79 3ndp h LEU 94 N 3.01 1.05 -0.72 4.79 5.85 -1.95 0.00 115.31 127.34 3ndp h LEU 94 Ca -0.36 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.41 3ndp h LEU 94 Cb 1.18 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3ndp h LEU 94 CO 0.63 0.76 0.39 1.23 -0.34 0.00 0.00 178.44 181.10 3ndp h GLY 95 N 1.24 1.07 1.09 3.75 0.00 -1.99 0.24 103.07 108.47 3ndp h GLY 95 Ca 0.34 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.29 3ndp h GLY 95 CO -0.07 0.12 -0.15 1.46 0.00 0.00 0.00 176.54 177.90 3ndp h GLN 96 N 0.68 1.00 -0.45 4.80 4.20 -1.70 -1.96 115.11 121.67 3ndp h GLN 96 Ca 0.34 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3ndp h GLN 96 Cb 0.28 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3ndp h GLN 96 CO -0.23 1.07 0.21 0.00 -0.67 0.00 0.00 178.83 179.21 3ndp h ALA 97 N 0.90 0.58 -0.76 3.87 0.00 -0.04 -0.75 119.26 123.06 3ndp h ALA 97 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ndp h ALA 97 Cb 0.72 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3ndp h ALA 97 CO 0.05 0.16 0.44 0.93 0.00 0.00 0.00 179.25 180.83 3ndp h GLU 98 N 0.59 1.04 -0.75 0.00 5.08 -0.46 -0.17 114.58 119.92 3ndp h GLU 98 Ca 0.15 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3ndp h GLU 98 Cb 0.14 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3ndp h GLU 98 CO -0.02 0.75 0.37 0.00 -1.00 0.00 0.00 179.01 179.12 3ndp h ALA 99 N 1.23 0.96 -0.68 3.43 0.00 -0.98 -2.49 119.26 120.73 3ndp h ALA 99 Ca 0.27 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ndp h ALA 99 Cb -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3ndp h ALA 99 CO -0.05 0.51 0.27 1.25 0.00 0.00 0.00 179.25 181.23 3ndp h LEU 100 N 1.04 0.94 -2.50 0.00 5.85 -0.36 -1.97 115.31 118.31 3ndp h LEU 100 Ca 0.26 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ndp h LEU 100 Cb 0.09 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3ndp h LEU 100 CO -0.04 0.86 -0.00 0.44 -0.34 0.00 0.00 178.44 179.36 3ndp h ASP 101 N 0.97 0.00 0.96 1.25 3.32 -0.62 -1.10 116.42 121.20 3ndp h ASP 101 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3ndp h ASP 101 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3ndp h ASP 101 CO -0.02 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.80 3ndp n LYS 102 N -3.77 0.02 0.00 3.56 5.02 -0.74 -3.52 118.16 118.73 3ndp n LYS 102 Ca -0.03 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3ndp n LYS 102 Cb 0.08 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3ndp n LYS 102 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3ndp n ILE 103 N -1.57 0.03 -3.74 -0.18 -5.35 -0.47 -5.09 119.36 103.00 3ndp n ILE 103 Ca 0.06 -0.48 -0.01 0.00 -0.27 0.00 0.00 62.75 62.05 3ndp n ILE 103 Cb 0.32 1.05 -0.00 0.00 -1.74 0.00 0.00 39.64 39.26 3ndp n ILE 103 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ndp s GLU 105 N -2.78 2.72 0.03 0.00 2.12 -1.26 -4.37 118.70 115.16 3ndp s GLU 105 Ca 0.15 -1.10 -0.30 0.00 0.36 0.00 0.00 54.97 54.08 3ndp s GLU 105 Cb 0.01 -3.33 -0.06 0.00 0.26 0.00 0.00 34.13 31.01 3ndp s GLU 105 CO 0.01 -0.57 1.42 0.08 -0.54 0.00 0.00 175.26 175.65 3ndp s VAL 106 N 1.39 3.59 -0.09 3.70 1.01 -1.26 -4.55 120.40 124.19 3ndp s VAL 106 Ca -0.01 1.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.95 3ndp s VAL 106 Cb -0.19 -3.65 -0.26 0.00 0.00 0.00 0.00 36.38 32.28 3ndp s VAL 106 CO 0.01 0.01 0.50 0.44 0.00 0.00 0.00 175.10 176.06 3ndp h ASP 107 N 7.69 0.35 -4.51 3.32 3.45 -0.79 -3.49 116.42 122.44 3ndp h ASP 107 Ca -0.39 -0.73 -0.08 0.00 0.43 0.00 0.00 57.03 56.26 3ndp h ASP 107 Cb 1.19 -0.12 -0.21 0.00 -0.56 0.00 0.00 39.33 39.64 3ndp h ASP 107 CO 0.90 1.65 0.02 -1.48 -1.57 0.00 0.00 179.24 178.75 3ndp s LEU 108 N -6.88 -0.23 -0.15 1.55 0.05 -1.11 -4.86 118.68 107.05 3ndp s LEU 108 Ca -0.17 0.84 -0.01 0.00 0.05 0.00 0.00 54.13 54.84 3ndp s LEU 108 Cb 0.07 2.10 0.04 0.00 -2.05 0.00 0.00 46.19 46.35 3ndp s LEU 108 CO 0.80 -0.40 -0.05 -0.69 -0.55 0.00 0.00 176.35 175.46 3ndp s VAL 109 N -0.52 0.99 -0.18 1.48 1.01 -0.56 -0.64 120.40 121.99 3ndp s VAL 109 Ca -0.06 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3ndp s VAL 109 Cb -0.03 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 3ndp s VAL 109 CO 0.05 0.17 0.21 -0.63 0.00 0.00 0.00 175.10 174.90 3ndp s ILE 110 N 1.69 5.36 -0.22 2.22 -1.09 0.11 -0.57 121.20 128.69 3ndp s ILE 110 Ca 0.02 0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 58.79 3ndp s ILE 110 Cb -0.15 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 3ndp s ILE 110 CO -0.08 0.41 -0.10 -0.55 -1.23 0.00 0.00 174.94 173.40 3ndp s SER 111 N 0.46 3.98 0.23 3.58 0.15 -0.44 -0.26 113.70 121.40 3ndp s SER 111 Ca 0.12 -0.67 0.06 0.00 0.70 0.00 0.00 55.95 56.16 3ndp s SER 111 Cb -0.12 -1.63 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 3ndp s SER 111 CO 0.01 -0.06 0.24 -0.76 1.20 0.00 0.00 173.24 173.88 3ndp s LEU 112 N 1.36 4.00 0.11 3.45 1.43 0.62 -1.61 118.68 128.05 3ndp s LEU 112 Ca 0.03 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 3ndp s LEU 112 Cb -0.15 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 3ndp s LEU 112 CO -0.07 -0.03 -0.09 0.20 0.23 0.00 0.00 176.35 176.59 3ndp s ASN 113 N -3.76 1.50 -0.11 2.29 0.01 -1.22 -4.35 114.94 109.30 3ndp s ASN 113 Ca 0.33 -0.92 -0.25 0.00 -0.71 0.00 0.00 52.86 51.31 3ndp s ASN 113 Cb -0.09 0.02 -0.02 0.00 0.41 0.00 0.00 41.25 41.57 3ndp s ASN 113 CO 0.26 -0.33 0.80 -0.63 -1.51 0.00 0.00 177.10 175.69 3ndp s ILE 114 N -2.98 4.94 0.68 0.60 1.01 -1.26 -4.18 121.20 120.01 3ndp s ILE 114 Ca 0.10 1.60 -0.15 0.00 0.00 0.00 0.00 60.65 62.20 3ndp s ILE 114 Cb 0.01 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.37 3ndp s ILE 114 CO -0.01 0.13 1.15 -2.16 0.00 0.00 0.00 174.94 174.04 3ndp s PRO 115 N 1.51 2.60 0.15 2.79 0.04 -1.26 -4.50 135.00 136.32 3ndp s PRO 115 Ca 0.39 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 62.74 3ndp s PRO 115 Cb -0.17 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.47 3ndp s PRO 115 CO 0.16 -1.44 1.63 0.35 0.04 0.00 0.00 177.00 177.75 3ndp h PHE 116 N -0.01 -0.66 -0.80 0.56 3.57 -1.96 -2.49 116.94 115.15 3ndp h PHE 116 Ca -0.47 0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.23 3ndp h PHE 116 Cb 1.26 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 40.27 3ndp h PHE 116 CO 0.52 -0.32 0.53 0.93 -2.23 0.00 0.00 178.31 177.74 3ndp h GLU 117 N -0.27 0.37 -0.06 1.11 3.07 -2.00 -2.00 114.58 114.80 3ndp h GLU 117 Ca 0.13 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.84 3ndp h GLU 117 Cb 0.46 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3ndp h GLU 117 CO -0.36 0.25 -0.53 1.15 -1.40 0.00 0.00 179.01 178.12 3ndp h THR 118 N 0.38 1.36 -1.00 1.13 2.02 -1.82 -3.27 112.91 111.73 3ndp h THR 118 Ca 0.40 -1.80 0.06 0.00 0.77 0.00 0.00 66.41 65.83 3ndp h THR 118 Cb 0.99 1.91 -0.06 0.00 -1.74 0.00 0.00 68.15 69.24 3ndp h THR 118 CO -0.13 0.53 0.65 0.25 0.37 0.00 0.00 175.52 177.19 3ndp h LEU 119 N 0.13 1.05 -1.91 2.58 5.85 -1.28 -2.50 115.31 119.23 3ndp h LEU 119 Ca 0.00 0.00 0.26 0.00 0.84 0.00 0.00 57.88 58.99 3ndp h LEU 119 Cb 0.97 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 3ndp h LEU 119 CO 0.08 0.69 0.66 0.11 -0.34 0.00 0.00 178.44 179.63 3ndp h LYS 120 N 1.20 0.07 -0.23 1.25 6.56 -1.67 0.67 116.57 124.42 3ndp h LYS 120 Ca 0.42 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.01 3ndp h LYS 120 Cb 0.12 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 3ndp h LYS 120 CO -0.16 0.04 0.00 -0.25 -2.06 0.00 0.00 179.45 177.03 3ndp n ASP 121 N -4.31 2.14 -2.43 0.86 10.43 -0.94 -4.99 116.55 117.31 3ndp n ASP 121 Ca 0.20 -1.80 -0.13 0.00 2.57 0.00 0.00 54.79 55.63 3ndp n ASP 121 Cb 0.95 -0.14 0.01 0.00 1.84 0.00 0.00 41.12 43.78 3ndp n ASP 121 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 3ndp n ARG 122 N 0.64 -0.71 -2.37 -1.24 -4.01 0.23 -4.36 116.66 104.85 3ndp n ARG 122 Ca 0.17 0.45 -0.35 0.00 -1.04 0.00 0.00 57.85 57.08 3ndp n ARG 122 Cb 0.40 -0.83 -0.02 0.00 -3.04 0.00 0.00 32.46 28.97 3ndp n ARG 122 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 3ndp s LEU 123 N -1.91 3.89 0.00 2.89 1.43 -1.26 -0.79 118.68 122.92 3ndp s LEU 123 Ca 0.09 2.13 0.04 0.00 -1.03 0.00 0.00 54.13 55.36 3ndp s LEU 123 Cb -0.01 -4.44 0.04 0.00 0.03 0.00 0.00 46.19 41.81 3ndp s LEU 123 CO 0.35 -0.94 0.35 -1.54 0.23 0.00 0.00 176.35 174.80 3ndp n SER 124 N -0.85 2.37 -1.81 2.29 3.41 0.31 -4.70 113.62 114.63 3ndp n SER 124 Ca 0.09 -2.50 0.03 0.00 -0.26 0.00 0.00 58.87 56.23 3ndp n SER 124 Cb 0.50 -0.05 0.34 0.00 -0.26 0.00 0.00 64.21 64.74 3ndp n SER 124 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3ndp n ARG 125 N -1.57 4.25 -3.76 4.33 1.85 -1.26 -4.65 116.66 115.86 3ndp n ARG 125 Ca -0.01 -2.84 -0.37 0.00 -1.00 0.00 0.00 57.85 53.64 3ndp n ARG 125 Cb 0.50 -2.18 -0.12 0.00 -1.05 0.00 0.00 32.46 29.61 3ndp n ARG 125 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3ndp s ARG 126 N -2.65 3.70 -0.19 2.89 0.52 -1.26 -1.00 118.95 120.95 3ndp s ARG 126 Ca 0.50 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 55.24 3ndp s ARG 126 Cb 0.38 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 32.51 3ndp s ARG 126 CO 0.14 -0.16 -0.12 -1.58 0.02 0.00 0.00 175.30 173.59 3ndp s TRP 127 N 1.56 2.86 0.05 -0.53 0.52 -0.01 -0.08 118.94 123.31 3ndp s TRP 127 Ca 0.06 -1.22 0.04 0.00 0.02 0.00 0.00 56.10 55.00 3ndp s TRP 127 Cb -0.15 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.13 3ndp s TRP 127 CO 0.04 -0.63 -0.04 -1.50 0.02 0.00 0.00 176.95 174.84 3ndp s ILE 128 N 1.29 3.79 -0.73 2.03 2.07 0.12 -0.09 121.20 129.69 3ndp s ILE 128 Ca 0.04 -0.92 -0.15 0.00 -1.41 0.00 0.00 60.65 58.21 3ndp s ILE 128 Cb -0.14 -2.73 0.18 0.00 0.13 0.00 0.00 42.46 39.89 3ndp s ILE 128 CO -0.06 0.24 0.70 -2.28 -1.91 0.00 0.00 174.94 171.63 3ndp s HIS 129 N -1.16 3.52 0.28 3.50 5.65 0.10 -0.22 115.29 126.96 3ndp s HIS 129 Ca 0.21 -1.67 -0.04 0.00 0.25 0.00 0.00 55.06 53.81 3ndp s HIS 129 Cb -0.11 -3.85 0.56 0.00 -1.18 0.00 0.00 32.58 27.99 3ndp s HIS 129 CO 0.13 -1.05 1.58 -1.35 -0.65 0.00 0.00 174.74 173.40 3ndp h PRO 130 N 8.28 0.02 -0.71 2.88 0.11 -1.86 0.25 132.00 140.98 3ndp h PRO 130 Ca -0.05 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.18 3ndp h PRO 130 Cb 1.06 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 3ndp h PRO 130 CO 0.89 0.01 0.47 -1.35 -0.21 0.00 0.00 178.00 177.81 3ndp h PRO 131 N 0.02 0.47 0.00 1.05 0.11 -1.95 -3.19 132.00 128.51 3ndp h PRO 131 Ca 0.50 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.56 3ndp h PRO 131 Cb 0.91 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 3ndp h PRO 131 CO -0.90 0.31 -1.49 -1.13 -0.21 0.00 0.00 178.00 174.58 3ndp n SER 132 N -4.48 2.71 0.00 -2.05 3.41 -0.72 -5.01 113.62 107.49 3ndp n SER 132 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3ndp n SER 132 Cb 0.43 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 3ndp n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ndp n GLY 133 N 2.02 0.75 3.71 5.00 0.00 0.79 -5.02 105.19 112.45 3ndp n GLY 133 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3ndp n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ndp s ARG 134 N -0.48 4.24 -0.15 1.61 0.52 -1.23 -4.79 118.95 118.67 3ndp s ARG 134 Ca 0.00 2.28 -0.02 0.00 -0.52 0.00 0.00 55.73 57.47 3ndp s ARG 134 Cb 0.00 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 32.19 3ndp s ARG 134 CO 0.00 -0.59 -0.09 0.08 0.02 0.00 0.00 175.30 174.72 3ndp s VAL 135 N 1.43 3.35 -0.34 3.52 1.01 -1.26 -0.72 120.40 127.39 3ndp s VAL 135 Ca 0.69 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3ndp s VAL 135 Cb -0.41 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.58 3ndp s VAL 135 CO 0.31 0.50 0.09 -0.31 0.00 0.00 0.00 175.10 175.69 3ndp s TYR 136 N 0.53 3.33 -0.32 5.22 1.51 0.88 -4.95 117.35 123.56 3ndp s TYR 136 Ca -0.06 -1.83 -0.18 0.00 -1.01 0.00 0.00 57.07 53.99 3ndp s TYR 136 Cb -0.15 -2.44 -0.01 0.00 -0.11 0.00 0.00 41.96 39.25 3ndp s TYR 136 CO 0.03 -0.82 0.52 1.21 -1.11 0.00 0.00 175.55 175.38 3ndp s ASN 137 N 1.47 6.35 0.38 2.29 3.84 -1.25 -0.83 114.94 127.19 3ndp s ASN 137 Ca -0.01 0.16 0.24 0.00 0.21 0.00 0.00 52.86 53.46 3ndp s ASN 137 Cb -0.20 -2.27 1.30 0.00 -0.55 0.00 0.00 41.25 39.52 3ndp s ASN 137 CO -0.00 -0.42 1.72 -0.07 -2.79 0.00 0.00 177.10 175.53 3ndp h LEU 138 N 9.01 0.00 0.00 3.21 3.38 -1.35 0.93 115.31 130.48 3ndp h LEU 138 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3ndp h LEU 138 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3ndp h LEU 138 CO 0.76 0.00 -0.30 0.47 0.09 0.00 0.00 178.44 179.46 3ndp n ASP 139 N -2.36 0.44 0.00 -0.43 8.00 -1.26 -4.01 116.55 116.93 3ndp n ASP 139 Ca -0.02 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.68 3ndp n ASP 139 Cb 0.09 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3ndp n ASP 139 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3ndp n PHE 140 N -1.76 0.00 -2.90 1.24 1.16 -0.47 -3.56 117.46 111.17 3ndp n PHE 140 Ca 0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.51 3ndp n PHE 140 Cb 0.38 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.28 3ndp n PHE 140 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 3ndp n ASN 141 N 0.00 -1.35 -4.74 5.98 6.94 0.20 -2.41 115.26 119.88 3ndp n ASN 141 Ca 0.00 -3.35 -0.33 0.00 -0.02 0.00 0.00 54.58 50.88 3ndp n ASN 141 Cb 0.00 0.98 0.08 0.00 -2.36 0.00 0.00 39.78 38.49 3ndp n ASN 141 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3ndp s PRO 142 N -0.51 2.26 0.78 -0.53 0.04 -1.22 -3.80 135.00 132.01 3ndp s PRO 142 Ca 0.30 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 3ndp s PRO 142 Cb 0.28 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 33.00 3ndp s PRO 142 CO -0.10 -1.69 1.09 -1.25 0.04 0.00 0.00 177.00 175.09 3ndp s PRO 143 N -4.23 2.27 0.15 0.56 0.04 -1.26 -4.96 135.00 127.57 3ndp s PRO 143 Ca 0.68 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 62.36 3ndp s PRO 143 Cb -0.23 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.41 3ndp s PRO 143 CO 0.47 -1.53 1.72 0.45 0.04 0.00 0.00 177.00 178.15 3ndp h HIS 144 N -1.03 0.68 -3.25 0.56 3.86 -1.96 -3.40 115.15 110.61 3ndp h HIS 144 Ca -0.46 -0.04 -0.67 0.00 -1.16 0.00 0.00 60.37 58.04 3ndp h HIS 144 Cb 1.25 -0.21 -0.31 0.00 1.06 0.00 0.00 27.41 29.20 3ndp h HIS 144 CO 0.51 0.56 -0.81 0.08 0.86 0.00 0.00 177.93 179.13 3ndp s VAL 145 N -5.66 2.60 0.13 2.45 1.01 -1.26 -5.08 120.40 114.59 3ndp s VAL 145 Ca -0.13 -0.78 -0.34 0.00 0.00 0.00 0.00 61.98 60.72 3ndp s VAL 145 Cb 0.11 -2.10 -0.17 0.00 0.00 0.00 0.00 36.38 34.22 3ndp s VAL 145 CO 0.76 0.51 1.12 1.57 0.00 0.00 0.00 175.10 179.07 3ndp n HIS 146 N 4.19 1.07 -1.12 5.22 -0.00 -1.26 -1.31 115.22 122.02 3ndp n HIS 146 Ca -0.19 0.76 -0.04 0.00 0.46 0.00 0.00 57.72 58.71 3ndp n HIS 146 Cb 0.51 -2.23 -0.02 0.00 -0.12 0.00 0.00 29.99 28.14 3ndp n HIS 146 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ndp n GLY 147 N 2.02 0.50 3.13 1.57 0.00 -1.26 -4.98 105.19 106.16 3ndp n GLY 147 Ca 0.17 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3ndp n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ndp s ILE 148 N -1.59 1.26 -0.08 -0.61 -1.09 -0.43 -0.98 121.20 117.69 3ndp s ILE 148 Ca 0.00 -0.67 -0.30 0.00 -2.23 0.00 0.00 60.65 57.46 3ndp s ILE 148 Cb 0.00 -1.07 -0.03 0.00 -1.58 0.00 0.00 42.46 39.78 3ndp s ILE 148 CO 0.00 0.36 1.33 -0.62 -1.23 0.00 0.00 174.94 174.78 3ndp s ASP 149 N -0.24 6.92 0.17 3.58 2.15 -0.09 -4.54 116.67 124.62 3ndp s ASP 149 Ca 0.03 1.90 -0.16 0.00 0.43 0.00 0.00 52.55 54.76 3ndp s ASP 149 Cb -0.08 -2.55 0.12 0.00 -0.30 0.00 0.00 42.92 40.12 3ndp s ASP 149 CO 0.00 -0.72 1.68 0.44 -0.17 0.00 0.00 175.17 176.40 3ndp h ASP 150 N 8.06 -0.24 0.24 -0.34 3.32 -1.92 0.62 116.42 126.16 3ndp h ASP 150 Ca -0.33 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 3ndp h ASP 150 Cb 1.15 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3ndp h ASP 150 CO 0.93 -0.08 -0.12 0.58 -1.72 0.00 0.00 179.24 178.83 3ndp h VAL 151 N 0.07 0.82 0.00 -1.35 2.07 -1.97 -3.37 116.25 112.53 3ndp h VAL 151 Ca 0.21 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3ndp h VAL 151 Cb 0.30 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3ndp h VAL 151 CO -0.37 0.12 -1.51 0.35 0.02 0.00 0.00 177.57 176.17 3ndp n THR 152 N -5.11 0.01 -0.96 2.57 -2.24 -1.23 -4.95 114.28 102.37 3ndp n THR 152 Ca -0.09 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3ndp n THR 152 Cb 0.23 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 3ndp n THR 152 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ndp n GLY 153 N 1.37 0.63 3.84 3.38 0.00 0.21 -5.00 105.19 109.61 3ndp n GLY 153 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3ndp n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ndp s GLU 154 N -0.26 4.05 0.61 1.61 2.02 -1.26 -4.67 118.70 120.81 3ndp s GLU 154 Ca 0.00 0.83 -0.19 0.00 0.02 0.00 0.00 54.97 55.62 3ndp s GLU 154 Cb 0.00 -2.31 -0.02 0.00 0.10 0.00 0.00 34.13 31.89 3ndp s GLU 154 CO 0.00 0.03 1.31 -1.25 0.02 0.00 0.00 175.26 175.37 3ndp s PRO 155 N -3.26 2.76 0.42 0.39 0.04 -1.26 -0.91 135.00 133.18 3ndp s PRO 155 Ca 0.57 2.11 0.06 0.00 0.04 0.00 0.00 61.00 63.78 3ndp s PRO 155 Cb -0.10 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.47 3ndp s PRO 155 CO 0.19 -1.45 0.58 -0.51 0.04 0.00 0.00 177.00 175.86 3ndp s LEU 156 N -4.08 3.67 -0.12 -3.56 1.43 -0.15 -4.74 118.68 111.15 3ndp s LEU 156 Ca 0.79 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 3ndp s LEU 156 Cb -0.38 -2.75 0.02 0.00 0.03 0.00 0.00 46.19 43.11 3ndp s LEU 156 CO 0.42 -0.74 -0.13 -0.69 0.23 0.00 0.00 176.35 175.44 3ndp s VAL 157 N -2.39 1.39 0.02 -1.59 1.01 0.70 -4.91 120.40 114.63 3ndp s VAL 157 Ca 0.52 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 3ndp s VAL 157 Cb -0.10 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 3ndp s VAL 157 CO 0.34 0.42 1.27 -1.58 0.00 0.00 0.00 175.10 175.55 3ndp s GLN 158 N 1.28 4.36 0.28 2.72 0.74 -1.26 -0.70 119.66 127.08 3ndp s GLN 158 Ca -0.01 1.83 -0.16 0.00 0.05 0.00 0.00 55.36 57.07 3ndp s GLN 158 Cb -0.14 -3.44 -0.09 0.00 1.10 0.00 0.00 33.01 30.45 3ndp s GLN 158 CO -0.06 -0.40 0.71 -0.65 -0.55 0.00 0.00 175.29 174.35 3ndp s GLN 159 N 1.66 4.05 0.52 1.67 -0.21 0.88 -4.90 119.66 123.33 3ndp s GLN 159 Ca 0.60 0.69 -0.18 0.00 0.02 0.00 0.00 55.36 56.49 3ndp s GLN 159 Cb -0.30 -2.58 -0.07 0.00 1.00 0.00 0.00 33.01 31.06 3ndp s GLN 159 CO 0.27 0.24 1.01 -1.83 -2.12 0.00 0.00 175.29 172.87 3ndp s GLU 160 N -2.66 3.77 -0.14 2.91 4.04 -1.26 -0.53 118.70 124.82 3ndp s GLU 160 Ca 0.50 1.15 -0.02 0.00 0.04 0.00 0.00 54.97 56.64 3ndp s GLU 160 Cb -0.12 -2.10 0.01 0.00 0.02 0.00 0.00 34.13 31.94 3ndp s GLU 160 CO 0.19 -0.44 0.05 -0.25 -1.84 0.00 0.00 175.26 172.97 3ndp n ASP 161 N -1.42 -3.63 0.00 0.83 8.00 0.03 -4.72 116.55 115.64 3ndp n ASP 161 Ca 0.08 0.73 0.00 0.00 0.71 0.00 0.00 54.79 56.31 3ndp n ASP 161 Cb 0.53 -3.25 0.00 0.00 -0.02 0.00 0.00 41.12 38.38 3ndp n ASP 161 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ndp n LYS 175 N 0.56 0.00 -0.31 -1.24 4.01 -1.26 -4.42 118.16 115.51 3ndp n LYS 175 Ca -0.08 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.70 3ndp n LYS 175 Cb 0.13 0.00 0.10 0.00 -0.51 0.00 0.00 35.03 34.75 3ndp n LYS 175 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3ndp n ASP 176 N 0.00 2.72 -3.80 4.39 8.00 -1.26 -4.49 116.55 122.11 3ndp n ASP 176 Ca 0.00 -2.35 -0.28 0.00 0.71 0.00 0.00 54.79 52.86 3ndp n ASP 176 Cb 0.00 -0.57 -0.12 0.00 -0.02 0.00 0.00 41.12 40.40 3ndp n ASP 176 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ndp s VAL 177 N -1.33 2.21 0.25 2.53 1.01 -1.26 -4.66 120.40 119.16 3ndp s VAL 177 Ca 0.17 -3.58 -0.31 0.00 0.00 0.00 0.00 61.98 58.26 3ndp s VAL 177 Cb 0.13 -2.49 -0.11 0.00 0.00 0.00 0.00 36.38 33.91 3ndp s VAL 177 CO 0.04 -0.98 1.64 0.00 0.00 0.00 0.00 175.10 175.80 3ndp s ALA 178 N -0.72 3.82 0.21 5.51 0.00 -1.24 -4.90 121.76 124.43 3ndp s ALA 178 Ca 0.23 1.56 -0.11 0.00 0.00 0.00 0.00 51.96 53.65 3ndp s ALA 178 Cb -0.11 -3.66 0.28 0.00 0.00 0.00 0.00 23.12 19.64 3ndp s ALA 178 CO -0.11 -0.94 1.69 0.87 0.00 0.00 0.00 175.76 177.26 3ndp h LYS 179 N 5.72 0.19 -0.02 0.00 6.56 -1.96 -1.10 116.57 125.95 3ndp h LYS 179 Ca -0.45 -0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.13 3ndp h LYS 179 Cb 1.21 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.83 3ndp h LYS 179 CO 0.86 0.12 0.03 -1.00 -2.06 0.00 0.00 179.45 177.40 3ndp h PRO 180 N 0.19 0.00 -0.10 3.15 0.13 -1.99 0.18 132.00 133.57 3ndp h PRO 180 Ca 0.31 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.22 3ndp h PRO 180 Cb 0.48 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.62 3ndp h PRO 180 CO -0.45 0.00 -0.81 0.28 -0.23 0.00 0.00 178.00 176.79 3ndp h VAL 181 N 0.00 1.32 -0.09 1.56 2.07 -1.57 -0.98 116.25 118.56 3ndp h VAL 181 Ca 0.01 -2.11 -0.01 0.00 0.82 0.00 0.00 66.70 65.41 3ndp h VAL 181 Cb 0.06 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3ndp h VAL 181 CO -0.00 0.65 -0.00 0.40 0.02 0.00 0.00 177.57 178.64 3ndp h ILE 182 N 0.41 1.26 -0.52 4.57 1.08 -1.00 -2.51 117.51 120.79 3ndp h ILE 182 Ca -0.06 -0.81 0.06 0.00 -0.39 0.00 0.00 64.86 63.66 3ndp h ILE 182 Cb 1.43 1.63 -0.05 0.00 -3.07 0.00 0.00 36.82 36.75 3ndp h ILE 182 CO 0.16 0.23 0.23 -0.33 -0.69 0.00 0.00 178.15 177.74 3ndp h GLU 183 N -0.13 0.43 0.10 2.37 4.39 -1.01 0.29 114.58 121.03 3ndp h GLU 183 Ca 0.02 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3ndp h GLU 183 Cb 0.36 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 3ndp h GLU 183 CO 0.01 0.28 -0.46 1.25 -1.16 0.00 0.00 179.01 178.93 3ndp h LEU 184 N 0.44 -1.37 -1.32 1.33 5.85 -1.03 0.24 115.31 119.46 3ndp h LEU 184 Ca 0.24 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 59.04 3ndp h LEU 184 Cb 0.20 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3ndp h LEU 184 CO -0.20 -0.51 -0.34 1.88 -0.34 0.00 0.00 178.44 178.93 3ndp h TYR 185 N -0.68 0.00 -0.53 1.25 0.99 -1.16 -2.25 116.97 114.59 3ndp h TYR 185 Ca 0.02 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 3ndp h TYR 185 Cb 0.71 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.41 3ndp h TYR 185 CO -0.41 0.34 0.10 -0.22 -0.00 0.00 0.00 178.16 177.97 3ndp h LYS 186 N 0.00 0.83 -0.29 4.88 3.64 0.24 -1.47 116.57 124.40 3ndp h LYS 186 Ca -0.00 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 3ndp h LYS 186 Cb 0.62 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3ndp h LYS 186 CO 0.04 0.77 -0.22 0.77 -2.27 0.00 0.00 179.45 178.53 3ndp h SER 187 N 0.79 0.70 0.45 4.20 0.02 -0.41 -2.11 113.55 117.19 3ndp h SER 187 Ca 0.17 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3ndp h SER 187 Cb 0.34 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3ndp h SER 187 CO 0.00 1.00 0.00 0.54 -1.14 0.00 0.00 176.83 177.24 3ndp n ARG 188 N -4.32 0.16 -2.30 3.45 5.12 -0.94 -4.85 116.66 112.97 3ndp n ARG 188 Ca -0.04 0.49 -0.11 0.00 -1.93 0.00 0.00 57.85 56.26 3ndp n ARG 188 Cb 0.43 -1.86 -0.00 0.00 -1.16 0.00 0.00 32.46 29.87 3ndp n ARG 188 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ndp n GLY 189 N -0.48 -0.06 0.37 -0.13 0.00 -0.60 -4.90 105.19 99.38 3ndp n GLY 189 Ca 0.01 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.67 3ndp n GLY 189 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ndp n VAL 190 N -3.99 0.20 -2.91 1.61 0.24 -0.89 -5.02 118.33 107.57 3ndp n VAL 190 Ca -0.12 -0.60 -0.40 0.00 -2.04 0.00 0.00 64.34 61.19 3ndp n VAL 190 Cb 0.59 1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 33.95 3ndp n VAL 190 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3ndp s LEU 191 N -0.76 4.61 -0.25 1.34 2.96 -1.19 -1.49 118.68 123.89 3ndp s LEU 191 Ca 0.11 1.73 -0.03 0.00 -0.22 0.00 0.00 54.13 55.72 3ndp s LEU 191 Cb 0.07 -3.39 0.09 0.00 0.50 0.00 0.00 46.19 43.46 3ndp s LEU 191 CO 0.11 0.19 0.10 -1.00 -1.32 0.00 0.00 176.35 174.43 3ndp s HIS 192 N -1.11 0.64 0.21 5.38 3.76 0.26 -4.94 115.29 119.49 3ndp s HIS 192 Ca 0.37 -0.91 -0.04 0.00 -0.15 0.00 0.00 55.06 54.34 3ndp s HIS 192 Cb -0.24 -1.02 -0.05 0.00 1.11 0.00 0.00 32.58 32.38 3ndp s HIS 192 CO 0.28 -0.74 0.45 -0.65 -0.85 0.00 0.00 174.74 173.23 3ndp s GLN 193 N 1.99 3.61 -0.02 1.40 -0.21 -1.26 -1.32 119.66 123.84 3ndp s GLN 193 Ca 0.06 -0.11 0.01 0.00 0.02 0.00 0.00 55.36 55.34 3ndp s GLN 193 Cb -0.16 -2.77 0.02 0.00 1.00 0.00 0.00 33.01 31.10 3ndp s GLN 193 CO -0.25 0.36 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.21 3ndp s PHE 194 N -1.86 0.34 0.54 0.91 0.40 -0.63 -4.93 117.98 112.74 3ndp s PHE 194 Ca 0.42 -0.03 -0.21 0.00 -0.60 0.00 0.00 56.93 56.51 3ndp s PHE 194 Cb -0.11 -0.37 -0.05 0.00 0.51 0.00 0.00 43.02 42.99 3ndp s PHE 194 CO 0.27 -0.10 1.19 -1.12 0.70 0.00 0.00 175.22 176.16 3ndp s SER 195 N 0.74 5.62 -0.05 1.36 0.01 -1.26 -3.45 113.70 116.67 3ndp s SER 195 Ca -0.08 2.36 -0.34 0.00 1.31 0.00 0.00 55.95 59.20 3ndp s SER 195 Cb -0.11 -2.60 -0.12 0.00 0.21 0.00 0.00 66.02 63.40 3ndp s SER 195 CO -0.01 -1.30 1.83 0.61 0.41 0.00 0.00 173.24 174.78 3ndp n GLY 196 N 0.43 1.39 3.74 3.44 0.00 -1.26 -4.72 105.19 108.21 3ndp n GLY 196 Ca 0.11 0.83 -0.04 0.00 0.00 0.00 0.00 46.02 46.92 3ndp n GLY 196 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ndp s THR 197 N 3.53 0.00 0.39 2.61 -1.32 -1.26 -4.56 115.64 115.02 3ndp s THR 197 Ca 0.90 -0.62 -0.27 0.00 -1.21 0.00 0.00 61.69 60.49 3ndp s THR 197 Cb -0.69 -1.92 -0.11 0.00 -1.51 0.00 0.00 72.50 68.27 3ndp s THR 197 CO 0.49 0.00 1.41 -0.62 -2.21 0.00 0.00 174.62 173.70 3ndp n GLU 198 N -0.45 2.40 -0.18 7.08 1.02 -1.26 -4.77 120.64 124.48 3ndp n GLU 198 Ca -0.06 0.84 0.09 0.00 -0.02 0.00 0.00 57.16 58.02 3ndp n GLU 198 Cb 0.61 -2.56 0.40 0.00 -0.02 0.00 0.00 31.44 29.87 3ndp n GLU 198 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3ndp h THR 199 N 2.64 0.94 -0.34 2.62 2.02 -1.96 -1.97 112.91 116.86 3ndp h THR 199 Ca -0.49 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 3ndp h THR 199 Cb 1.26 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3ndp h THR 199 CO 0.63 0.12 0.18 0.78 0.37 0.00 0.00 175.52 177.59 3ndp h ASN 200 N 0.64 0.40 -0.39 4.18 2.35 -2.00 0.30 115.58 121.06 3ndp h ASN 200 Ca 0.34 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 56.01 3ndp h ASN 200 Cb 0.46 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3ndp h ASN 200 CO -0.12 0.33 0.08 0.11 -1.65 0.00 0.00 177.43 176.18 3ndp h LYS 201 N 0.46 0.71 0.00 0.81 1.79 -1.72 -2.99 116.57 115.63 3ndp h LYS 201 Ca 0.12 -0.15 -0.22 0.00 -2.18 0.00 0.00 60.65 58.22 3ndp h LYS 201 Cb 0.02 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 3ndp h LYS 201 CO -0.02 0.67 -1.17 0.82 -1.08 0.00 0.00 179.45 178.67 3ndp h ILE 202 N 0.68 1.40 -0.10 1.86 2.04 -1.38 -3.41 117.51 118.60 3ndp h ILE 202 Ca 0.15 -3.12 0.04 0.00 1.00 0.00 0.00 64.86 62.92 3ndp h ILE 202 Cb 0.31 2.69 -0.06 0.00 -0.74 0.00 0.00 36.82 39.01 3ndp h ILE 202 CO 0.00 0.80 -0.47 -0.25 0.00 0.00 0.00 178.15 178.23 3ndp h TRP 203 N 0.00 -1.37 -0.85 1.37 2.91 -0.81 -2.26 115.95 114.94 3ndp h TRP 203 Ca -0.09 0.05 0.20 0.00 1.13 0.00 0.00 58.89 60.18 3ndp h TRP 203 Cb 1.81 0.61 -0.06 0.00 -0.51 0.00 0.00 29.16 31.01 3ndp h TRP 203 CO 0.00 -0.51 0.57 -1.00 -1.03 0.00 0.00 178.44 176.47 3ndp h PRO 204 N -0.55 0.33 -0.47 2.65 0.13 -1.80 0.39 132.00 132.69 3ndp h PRO 204 Ca 0.05 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.04 3ndp h PRO 204 Cb 0.66 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 3ndp h PRO 204 CO -0.40 0.22 -0.20 1.88 -0.23 0.00 0.00 178.00 179.27 3ndp h TYR 205 N 0.34 1.10 -0.28 1.56 -1.99 -1.70 -1.13 116.97 114.87 3ndp h TYR 205 Ca 0.43 -0.26 -0.15 0.00 2.00 0.00 0.00 58.73 60.75 3ndp h TYR 205 Cb 1.16 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 3ndp h TYR 205 CO -0.00 1.07 -0.44 0.28 -0.00 0.00 0.00 178.16 179.07 3ndp h VAL 206 N 0.80 1.29 -0.48 -2.88 2.07 -0.53 -2.19 116.25 114.33 3ndp h VAL 206 Ca 0.11 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 3ndp h VAL 206 Cb 0.77 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3ndp h VAL 206 CO 0.06 0.52 0.24 0.22 0.02 0.00 0.00 177.57 178.64 3ndp h TYR 207 N 0.58 0.69 -0.52 1.57 5.03 -0.12 -2.23 116.97 121.97 3ndp h TYR 207 Ca 0.04 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 3ndp h TYR 207 Cb 0.99 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 39.04 3ndp h TYR 207 CO 0.05 0.54 0.21 1.15 -1.32 0.00 0.00 178.16 178.79 3ndp h THR 208 N 0.64 1.21 -0.69 1.81 2.02 -1.12 0.16 112.91 116.93 3ndp h THR 208 Ca 0.17 -0.66 0.04 0.00 0.77 0.00 0.00 66.41 66.72 3ndp h THR 208 Cb 0.10 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 3ndp h THR 208 CO -0.02 0.25 0.42 -0.07 0.37 0.00 0.00 175.52 176.47 3ndp h LEU 209 N 0.70 0.68 -0.25 2.58 3.38 -1.08 -1.52 115.31 119.79 3ndp h LEU 209 Ca 0.17 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 3ndp h LEU 209 Cb 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ndp h LEU 209 CO -0.01 0.46 -0.84 -0.26 0.09 0.00 0.00 178.44 177.88 3ndp h PHE 210 N 0.81 0.67 -0.43 1.13 -1.00 -1.17 -3.18 116.94 113.77 3ndp h PHE 210 Ca 0.29 -0.33 0.02 0.00 2.81 0.00 0.00 57.97 60.76 3ndp h PHE 210 Cb 0.06 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 3ndp h PHE 210 CO -0.05 1.13 0.28 1.03 -1.61 0.00 0.00 178.31 179.09 3ndp h SER 211 N 0.30 0.43 0.57 2.17 0.87 -0.17 0.50 113.55 118.22 3ndp h SER 211 Ca -0.06 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3ndp h SER 211 Cb 1.45 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 3ndp h SER 211 CO 0.15 0.30 0.00 0.59 -0.53 0.00 0.00 176.83 177.34 3ndp n ASN 212 N -4.48 0.06 0.00 6.23 3.02 -0.62 -3.65 115.26 115.83 3ndp n ASN 212 Ca 0.04 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 3ndp n ASN 212 Cb 0.12 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 3ndp n ASN 212 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ndp n LYS 213 N -1.57 3.39 -4.31 3.52 5.02 -0.08 -5.04 118.16 119.09 3ndp n LYS 213 Ca 0.04 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.12 3ndp n LYS 213 Cb 0.19 -0.96 -0.16 0.00 -0.02 0.00 0.00 35.03 34.09 3ndp n LYS 213 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ndp s ILE 214 N -1.91 0.70 0.11 -0.18 -1.09 0.16 -5.00 121.20 113.99 3ndp s ILE 214 Ca 0.00 -0.27 -0.30 0.00 -2.23 0.00 0.00 60.65 57.85 3ndp s ILE 214 Cb 0.00 -0.66 -0.07 0.00 -1.58 0.00 0.00 42.46 40.15 3ndp s ILE 214 CO 0.00 0.24 1.17 -0.89 -1.23 0.00 0.00 174.94 174.23 3ndp s THR 215 N 0.53 3.92 0.05 2.92 2.01 -1.26 -3.91 115.64 119.90 3ndp s THR 215 Ca -0.08 1.48 -0.35 0.00 0.31 0.00 0.00 61.69 63.05 3ndp s THR 215 Cb -0.12 -3.95 -0.15 0.00 0.01 0.00 0.00 72.50 68.30 3ndp s THR 215 CO 0.01 0.17 1.56 -2.65 -0.69 0.00 0.00 174.62 173.03 3ndp n PRO 216 N 3.25 1.73 0.30 4.92 -0.02 -1.26 -4.84 135.00 139.07 3ndp n PRO 216 Ca 0.06 0.63 0.19 0.00 -2.02 0.00 0.00 63.50 62.36 3ndp n PRO 216 Cb 0.46 -2.36 0.86 0.00 -0.02 0.00 0.00 33.50 32.44 3ndp n PRO 216 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3ndp h ILE 217 N 3.96 0.01 -0.00 4.25 3.07 -1.59 -2.79 117.51 124.42 3ndp h ILE 217 Ca -0.46 -0.35 0.00 0.00 1.55 0.00 0.00 64.86 65.59 3ndp h ILE 217 Cb 1.29 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.19 3ndp h ILE 217 CO 0.87 0.00 -0.09 0.00 -1.05 0.00 0.00 178.15 177.88 3ndp n GLN 218 N -3.10 0.64 0.00 0.16 0.00 -1.26 -1.31 117.38 112.51 3ndp n GLN 218 Ca -0.01 -0.19 0.11 0.00 0.00 0.00 0.00 57.00 56.91 3ndp n GLN 218 Cb 0.23 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 29.02 3ndp n GLN 218 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3ndp n SER 219 N -1.01 2.44 -4.96 2.61 3.41 -1.05 -4.85 113.62 110.20 3ndp n SER 219 Ca 0.14 -1.72 -0.22 0.00 -0.26 0.00 0.00 58.87 56.81 3ndp n SER 219 Cb 0.27 0.21 -0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3ndp n SER 219 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ndp s LYS 220 N -2.06 3.27 0.20 4.33 1.02 -1.21 -5.00 119.74 120.29 3ndp s LYS 220 Ca 0.22 -0.58 -0.09 0.00 0.02 0.00 0.00 55.97 55.54 3ndp s LYS 220 Cb 0.18 -2.69 0.14 0.00 -0.52 0.00 0.00 37.83 34.93 3ndp s LYS 220 CO 0.39 0.03 1.79 1.49 -0.92 0.00 0.00 175.35 178.13 3ndp h GLU 221 N 0.72 1.07 -3.89 1.68 4.81 -1.94 -2.88 114.58 114.14 3ndp h GLU 221 Ca -0.48 -0.16 -0.72 0.00 -0.13 0.00 0.00 59.36 57.87 3ndp h GLU 221 Cb 1.24 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.37 3ndp h GLU 221 CO 0.58 0.83 2.99 0.00 -0.73 0.00 0.00 179.01 182.69 3ndp n ALA 222 N -2.38 5.58 -1.66 2.92 0.00 -1.26 -4.94 120.51 118.77 3ndp n ALA 222 Ca 0.06 -3.94 -0.49 0.00 0.00 0.00 0.00 53.44 49.07 3ndp n ALA 222 Cb 0.13 -3.45 -0.05 0.00 0.00 0.00 0.00 19.45 16.08 3ndp n ALA 222 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3ndp n TYR 223 N 5.68 2.22 -1.14 0.00 9.36 -1.09 -2.04 117.16 130.16 3ndp n TYR 223 Ca 0.51 0.06 -0.05 0.00 3.32 0.00 0.00 57.90 61.74 3ndp n TYR 223 Cb 0.38 -2.64 -0.02 0.00 -0.63 0.00 0.00 39.34 36.43 3ndp n TYR 223 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3ndp n LEU 224 N 7.08 0.29 -4.68 2.98 4.77 -0.43 -4.95 117.00 122.06 3ndp n LEU 224 Ca 0.25 0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.92 3ndp n LEU 224 Cb 0.28 -2.31 -0.02 0.00 -2.33 0.00 0.00 43.42 39.04 3ndp n LEU 224 CO 0.74 -0.88 0.85 -0.70 -1.33 0.00 0.00 177.39 176.07 3ndp s GLU 225 N -2.20 4.38 0.41 3.23 2.12 -0.86 -4.99 118.70 120.78 3ndp s GLU 225 Ca 0.00 1.45 -0.24 0.00 0.36 0.00 0.00 54.97 56.55 3ndp s GLU 225 Cb 0.00 -3.57 -0.09 0.00 0.26 0.00 0.00 34.13 30.73 3ndp s GLU 225 CO 0.00 -0.41 1.06 -1.01 -0.54 0.00 0.00 175.26 174.36 3ndp s HIS 226 N 2.29 3.23 0.34 5.30 3.76 -1.26 -4.84 115.29 124.11 3ndp s HIS 226 Ca 0.49 1.63 0.06 0.00 -0.15 0.00 0.00 55.06 57.10 3ndp s HIS 226 Cb -0.19 -3.14 0.73 0.00 1.11 0.00 0.00 32.58 31.09 3ndp s HIS 226 CO 0.17 -0.69 1.88 1.25 -0.85 0.00 0.00 174.74 176.49 3ndp h HIS 227 N 2.42 0.90 -0.11 1.40 2.76 -1.81 -1.18 115.15 119.54 3ndp h HIS 227 Ca -0.48 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 3ndp h HIS 227 Cb 1.22 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.89 3ndp h HIS 227 CO 0.58 0.37 0.00 0.72 -1.30 0.00 0.00 177.93 178.29 3ndp n HIS 228 N -4.56 0.22 -3.00 5.26 8.25 -1.26 -4.89 115.22 115.24 3ndp n HIS 228 Ca 0.17 -0.09 -0.40 0.00 -0.26 0.00 0.00 57.72 57.14 3ndp n HIS 228 Cb 0.39 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.39 3ndp n HIS 228 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ndp s HIS 229 N -1.65 3.82 -0.06 4.41 5.04 -0.45 -5.06 115.29 121.35 3ndp s HIS 229 Ca 0.08 1.53 -0.01 0.00 -1.54 0.00 0.00 55.06 55.12 3ndp s HIS 229 Cb 0.05 -2.78 0.03 0.00 0.04 0.00 0.00 32.58 29.92 3ndp s HIS 229 CO 0.04 0.40 0.01 -1.01 -2.34 0.00 0.00 174.74 171.85 3ndp s HIS 230 N -0.62 0.49 -2.49 3.88 0.09 -1.26 -5.00 115.29 110.39 3ndp s HIS 230 Ca 0.37 -0.05 0.28 0.00 -0.00 0.00 0.00 55.06 55.66 3ndp s HIS 230 Cb -0.22 -0.67 1.07 0.00 -0.00 0.00 0.00 32.58 32.76 3ndp s HIS 230 CO 0.24 -0.27 1.76 1.58 -0.00 0.00 0.00 174.74 178.05