#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thn n ASN 3 N 0.00 0.00 -4.27 6.15 5.15 -1.05 -5.02 115.26 116.22 1thn n ASN 3 Ca 0.00 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.83 1thn n ASN 3 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1thn n ASN 3 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1thn s GLU 4 N 0.00 1.19 -0.04 1.20 -1.05 -1.26 -1.72 118.70 117.02 1thn s GLU 4 Ca 0.00 -1.58 -0.20 0.00 -0.15 0.00 0.00 54.97 53.04 1thn s GLU 4 Cb 0.00 -0.38 0.04 0.00 -0.44 0.00 0.00 34.13 33.35 1thn s GLU 4 CO 0.00 -0.12 0.44 1.41 0.95 0.00 0.00 175.26 177.94 1thn s MET 5 N -3.90 0.78 -0.00 -4.83 1.75 -1.24 -5.02 119.30 106.85 1thn s MET 5 Ca 0.26 0.02 0.01 0.00 -1.25 0.00 0.00 55.69 54.73 1thn s MET 5 Cb 0.06 0.36 -0.00 0.00 2.84 0.00 0.00 34.83 38.08 1thn s MET 5 CO 0.06 -0.22 -0.05 -1.01 -0.65 0.00 0.00 175.02 173.15 1thn s HIS 6 N -1.16 0.42 -0.09 4.11 3.76 -1.26 -1.89 115.29 119.18 1thn s HIS 6 Ca -0.12 -0.11 -0.03 0.00 -0.15 0.00 0.00 55.06 54.65 1thn s HIS 6 Cb -0.03 -0.27 0.05 0.00 1.11 0.00 0.00 32.58 33.44 1thn s HIS 6 CO 0.06 -0.01 0.12 -1.17 -0.85 0.00 0.00 174.74 172.89 1thn s LEU 7 N -0.22 0.05 0.18 0.89 2.96 -0.70 -4.98 118.68 116.86 1thn s LEU 7 Ca 0.01 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.05 1thn s LEU 7 Cb -0.02 0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.71 1thn s LEU 7 CO -0.00 -0.27 0.08 -1.10 -1.32 0.00 0.00 176.35 173.74 1thn s GLN 8 N 2.24 2.66 0.17 1.98 1.11 -1.26 -1.91 119.66 124.66 1thn s GLN 8 Ca 0.04 -1.02 -0.24 0.00 0.01 0.00 0.00 55.36 54.15 1thn s GLN 8 Cb -0.13 -2.49 0.06 0.00 -1.01 0.00 0.00 33.01 29.44 1thn s GLN 8 CO -0.06 0.46 0.90 -0.59 0.01 0.00 0.00 175.29 176.01 1thn s PHE 9 N -1.81 -0.16 0.45 0.91 -0.12 -0.93 -4.96 117.98 111.36 1thn s PHE 9 Ca 0.30 -0.17 -0.22 0.00 -0.05 0.00 0.00 56.93 56.78 1thn s PHE 9 Cb -0.09 0.65 -0.08 0.00 -0.63 0.00 0.00 43.02 42.86 1thn s PHE 9 CO 0.21 -0.90 1.08 -1.12 -0.05 0.00 0.00 175.22 174.44 1thn s SER 10 N -2.91 6.43 -1.16 1.98 0.01 -1.26 -0.65 113.70 116.13 1thn s SER 10 Ca 0.11 2.07 -0.11 0.00 1.31 0.00 0.00 55.95 59.34 1thn s SER 10 Cb -0.02 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.56 1thn s SER 10 CO 0.02 -0.72 2.32 0.00 0.41 0.00 0.00 173.24 175.27 1thn n ALA 11 N -0.51 5.32 -3.25 1.44 0.00 0.26 -4.76 120.51 119.00 1thn n ALA 11 Ca 0.07 -2.95 -0.25 0.00 0.00 0.00 0.00 53.44 50.31 1thn n ALA 11 Cb 0.50 -3.31 -0.16 0.00 0.00 0.00 0.00 19.45 16.48 1thn n ALA 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1thn s ARG 12 N 3.37 1.76 0.66 0.00 0.52 -1.26 -4.02 118.95 119.97 1thn s ARG 12 Ca 0.52 -0.49 0.42 0.00 -0.52 0.00 0.00 55.73 55.66 1thn s ARG 12 Cb 0.14 -1.47 2.33 0.00 0.52 0.00 0.00 34.95 36.47 1thn s ARG 12 CO -0.02 0.11 2.35 0.66 0.02 0.00 0.00 175.30 178.42 1thn h SER 13 N 6.70 0.00 0.28 0.23 4.64 -2.00 -1.84 113.55 121.56 1thn h SER 13 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1thn h SER 13 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1thn h SER 13 CO 0.48 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.11 1thn h GLU 14 N 0.00 0.00 -0.02 4.77 3.07 -1.95 -1.63 114.58 118.82 1thn h GLU 14 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1thn h GLU 14 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1thn h GLU 14 CO -0.00 0.00 -0.22 0.09 -1.40 0.00 0.00 179.01 177.48 1thn n ASN 15 N -2.51 2.14 -0.08 1.42 3.02 -0.69 -4.52 115.26 114.04 1thn n ASN 15 Ca -0.01 -1.57 -0.07 0.00 -0.03 0.00 0.00 54.58 52.90 1thn n ASN 15 Cb 0.12 0.27 0.11 0.00 -0.61 0.00 0.00 39.78 39.66 1thn n ASN 15 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1thn h GLU 16 N 2.80 0.75 -0.24 3.52 5.08 -1.39 0.28 114.58 125.37 1thn h GLU 16 Ca 0.00 -0.29 -0.19 0.00 -1.00 0.00 0.00 59.36 57.89 1thn h GLU 16 Cb 0.70 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1thn h GLU 16 CO 0.00 0.89 -0.59 1.03 -1.00 0.00 0.00 179.01 179.34 1thn h SER 17 N 0.66 0.87 -0.75 1.42 0.87 -1.79 0.27 113.55 115.10 1thn h SER 17 Ca 0.10 -0.49 -0.03 0.00 -1.23 0.00 0.00 61.79 60.14 1thn h SER 17 Cb 0.70 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 1thn h SER 17 CO 0.05 1.27 0.34 0.15 -0.53 0.00 0.00 176.83 178.11 1thn h PHE 18 N 0.58 1.09 -0.22 2.24 3.57 -1.76 -2.19 116.94 120.26 1thn h PHE 18 Ca 0.00 -0.06 -0.18 0.00 3.53 0.00 0.00 57.97 61.26 1thn h PHE 18 Cb 1.19 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 1thn h PHE 18 CO 0.07 0.81 -0.59 0.00 -2.23 0.00 0.00 178.31 176.37 1thn h ALA 19 N 1.17 0.54 -0.28 2.41 0.00 -0.35 -2.33 119.26 120.42 1thn h ALA 19 Ca 0.25 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1thn h ALA 19 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1thn h ALA 19 CO -0.03 0.69 0.17 0.00 0.00 0.00 0.00 179.25 180.08 1thn h ARG 20 N 0.54 0.38 -0.03 0.00 3.08 -0.74 -2.41 114.38 115.21 1thn h ARG 20 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1thn h ARG 20 Cb 1.18 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 1thn h ARG 20 CO 0.12 0.30 0.01 0.28 -1.07 0.00 0.00 179.97 179.60 1thn h VAL 21 N 0.36 1.19 -0.33 2.04 2.07 -1.42 -2.37 116.25 117.80 1thn h VAL 21 Ca 0.10 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.12 1thn h VAL 21 Cb 0.01 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1thn h VAL 21 CO -0.02 0.16 -0.18 0.74 0.02 0.00 0.00 177.57 178.28 1thn h THR 22 N -0.18 0.47 -0.91 2.57 2.02 -1.39 0.53 112.91 116.01 1thn h THR 22 Ca 0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.24 1thn h THR 22 Cb 0.25 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 1thn h THR 22 CO 0.00 0.00 0.60 0.58 0.37 0.00 0.00 175.52 177.07 1thn h VAL 23 N -0.14 1.12 -0.01 3.16 2.07 -1.42 -2.24 116.25 118.78 1thn h VAL 23 Ca 0.17 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1thn h VAL 23 Cb 0.40 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1thn h VAL 23 CO -0.42 0.20 -0.00 0.00 0.02 0.00 0.00 177.57 177.37 1thn h ALA 24 N 1.49 0.01 -0.82 1.67 0.00 -0.36 -2.87 119.26 118.37 1thn h ALA 24 Ca 0.38 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1thn h ALA 24 Cb 0.10 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1thn h ALA 24 CO -0.13 -0.31 0.54 0.00 0.00 0.00 0.00 179.25 179.35 1thn h ALA 25 N 0.65 1.60 0.00 0.00 0.00 0.20 -0.50 119.26 121.22 1thn h ALA 25 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1thn h ALA 25 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1thn h ALA 25 CO 0.00 0.27 -0.40 0.35 0.00 0.00 0.00 179.25 179.47 1thn h PHE 26 N 0.90 0.00 0.00 0.00 3.57 -1.42 -2.53 116.94 117.46 1thn h PHE 26 Ca 0.35 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.77 1thn h PHE 26 Cb 0.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1thn h PHE 26 CO -0.00 0.40 -0.39 0.28 -2.23 0.00 0.00 178.31 176.37 1thn h VAL 27 N 0.00 0.70 -1.20 1.41 2.07 -0.92 -3.24 116.25 115.06 1thn h VAL 27 Ca -0.00 -1.89 0.35 0.00 0.82 0.00 0.00 66.70 65.97 1thn h VAL 27 Cb 0.96 2.27 -0.08 0.00 -1.52 0.00 0.00 31.29 32.92 1thn h VAL 27 CO 0.05 0.38 0.81 0.00 0.02 0.00 0.00 177.57 178.84 1thn h ALA 28 N 1.61 2.74 0.00 1.67 0.00 -0.71 0.21 119.26 124.77 1thn h ALA 28 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1thn h ALA 28 Cb 1.24 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1thn h ALA 28 CO 0.05 -1.18 0.22 0.00 0.00 0.00 0.00 179.25 178.35 1thn n GLN 29 N -4.45 0.04 -0.70 0.00 10.64 -1.22 -0.69 117.38 121.00 1thn n GLN 29 Ca 0.29 0.44 0.08 0.00 -1.83 0.00 0.00 57.00 55.98 1thn n GLN 29 Cb 1.19 -1.87 0.36 0.00 -0.86 0.00 0.00 30.24 29.06 1thn n GLN 29 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1thn n LEU 30 N -1.67 5.02 -3.97 2.61 4.77 0.72 -4.97 117.00 119.51 1thn n LEU 30 Ca -0.00 -2.68 -0.25 0.00 -0.03 0.00 0.00 56.01 53.04 1thn n LEU 30 Cb 0.23 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1thn n LEU 30 CO 0.03 0.73 -0.25 -0.67 -1.33 0.00 0.00 177.39 175.90 1thn n ASP 31 N 0.76 -0.23 -4.91 -1.43 -0.08 0.13 -4.96 116.55 105.83 1thn n ASP 31 Ca 0.26 -1.02 -0.29 0.00 -1.51 0.00 0.00 54.79 52.23 1thn n ASP 31 Cb 1.00 -2.99 -0.03 0.00 2.34 0.00 0.00 41.12 41.43 1thn n ASP 31 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1thn s PRO 32 N -6.59 3.61 0.87 -0.67 0.04 -1.26 -5.12 135.00 125.88 1thn s PRO 32 Ca 0.00 -0.09 -0.12 0.00 0.04 0.00 0.00 61.00 60.83 1thn s PRO 32 Cb -0.00 -2.73 0.15 0.00 0.04 0.00 0.00 34.50 31.96 1thn s PRO 32 CO 0.89 0.31 1.22 0.95 0.04 0.00 0.00 177.00 180.41 1thn s THR 33 N -1.95 2.05 -0.07 1.26 -4.23 -1.26 -4.72 115.64 106.71 1thn s THR 33 Ca 0.42 -0.10 0.31 0.00 -1.18 0.00 0.00 61.69 61.14 1thn s THR 33 Cb -0.11 -2.94 0.35 0.00 1.34 0.00 0.00 72.50 71.14 1thn s THR 33 CO 0.28 0.00 1.90 0.24 -0.54 0.00 0.00 174.62 176.51 1thn h MET 34 N -1.28 0.00 0.03 3.99 2.86 -2.00 3.81 114.93 122.34 1thn h MET 34 Ca -0.44 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.17 1thn h MET 34 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1thn h MET 34 CO 0.46 0.00 -0.16 -0.44 1.06 0.00 0.00 176.91 177.83 1thn h ASP 35 N 0.00 0.09 -0.14 1.22 5.19 -1.98 -1.46 116.42 119.34 1thn h ASP 35 Ca 0.00 -0.99 -0.05 0.00 -0.62 0.00 0.00 57.03 55.37 1thn h ASP 35 Cb 0.50 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 1thn h ASP 35 CO 0.00 1.08 -0.13 -0.33 -3.12 0.00 0.00 179.24 176.74 1thn h GLU 36 N -0.88 0.32 -0.92 3.56 5.08 -1.77 -2.21 114.58 117.77 1thn h GLU 36 Ca -0.03 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1thn h GLU 36 Cb 1.12 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 1thn h GLU 36 CO 0.03 0.71 0.59 1.25 -1.00 0.00 0.00 179.01 180.59 1thn h LEU 37 N -0.05 0.97 -0.24 1.33 7.12 0.71 -1.61 115.31 123.55 1thn h LEU 37 Ca 0.02 -0.00 -0.21 0.00 0.13 0.00 0.00 57.88 57.82 1thn h LEU 37 Cb 0.65 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.56 1thn h LEU 37 CO 0.03 0.65 -0.91 0.74 -0.13 0.00 0.00 178.44 178.82 1thn h THR 38 N 1.12 1.47 0.49 1.05 2.02 -1.28 -2.59 112.91 115.19 1thn h THR 38 Ca 0.38 -2.60 -0.02 0.00 0.77 0.00 0.00 66.41 64.93 1thn h THR 38 Cb 0.06 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1thn h THR 38 CO -0.14 0.76 -0.23 -0.33 0.37 0.00 0.00 175.52 175.95 1thn h GLU 39 N 0.14 -0.63 -0.69 6.66 5.08 -1.05 0.05 114.58 124.13 1thn h GLU 39 Ca -0.06 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1thn h GLU 39 Cb 1.54 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.87 1thn h GLU 39 CO 0.14 -0.38 0.33 0.82 -1.00 0.00 0.00 179.01 178.93 1thn h ILE 40 N -0.74 0.83 -0.53 3.13 2.04 -1.37 0.25 117.51 121.11 1thn h ILE 40 Ca -0.07 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1thn h ILE 40 Cb 0.54 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1thn h ILE 40 CO 0.11 0.10 0.14 0.11 0.00 0.00 0.00 178.15 178.61 1thn h LYS 41 N 0.56 0.85 -0.09 2.37 1.57 -1.32 -1.44 116.57 119.07 1thn h LYS 41 Ca 0.34 -0.20 -0.19 0.00 -1.87 0.00 0.00 60.65 58.73 1thn h LYS 41 Cb 0.38 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1thn h LYS 41 CO -0.28 0.80 -0.74 1.15 -0.57 0.00 0.00 179.45 179.81 1thn h THR 42 N 0.75 1.36 0.00 -0.16 2.02 -0.52 -1.73 112.91 114.63 1thn h THR 42 Ca 0.17 -2.11 -0.06 0.00 0.77 0.00 0.00 66.41 65.18 1thn h THR 42 Cb 0.32 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1thn h THR 42 CO 0.00 0.64 -0.30 0.58 0.37 0.00 0.00 175.52 176.81 1thn h VAL 43 N 0.32 1.01 0.16 3.16 2.07 -0.42 -1.93 116.25 120.63 1thn h VAL 43 Ca -0.03 -1.09 -0.26 0.00 0.82 0.00 0.00 66.70 66.14 1thn h VAL 43 Cb 1.32 1.62 0.03 0.00 -1.52 0.00 0.00 31.29 32.74 1thn h VAL 43 CO 0.13 0.29 -1.10 0.58 0.02 0.00 0.00 177.57 177.49 1thn h VAL 44 N 0.00 1.38 -0.66 2.57 2.07 -1.01 -3.01 116.25 117.59 1thn h VAL 44 Ca -0.00 -2.53 -0.08 0.00 0.82 0.00 0.00 66.70 64.91 1thn h VAL 44 Cb 0.60 3.00 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 1thn h VAL 44 CO 0.04 0.74 0.11 0.77 0.02 0.00 0.00 177.57 179.25 1thn h SER 45 N -0.05 1.03 0.24 0.57 4.64 -1.19 0.46 113.55 119.25 1thn h SER 45 Ca -0.18 -0.24 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1thn h SER 45 Cb 1.84 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 63.62 1thn h SER 45 CO 0.21 1.02 -0.50 -0.33 -0.87 0.00 0.00 176.83 176.36 1thn h GLU 46 N 1.01 -0.78 -0.49 4.77 4.39 -1.43 0.34 114.58 122.39 1thn h GLU 46 Ca 0.20 0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.90 1thn h GLU 46 Cb 0.43 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1thn h GLU 46 CO 0.01 -0.52 0.08 0.00 -1.16 0.00 0.00 179.01 177.42 1thn h ALA 47 N -0.55 1.22 0.18 3.43 0.00 -1.37 -0.35 119.26 121.82 1thn h ALA 47 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1thn h ALA 47 Cb 0.78 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1thn h ALA 47 CO -0.21 0.53 -0.08 0.28 0.00 0.00 0.00 179.25 179.76 1thn h VAL 48 N 0.73 0.82 0.00 0.00 2.07 0.23 -1.05 116.25 119.05 1thn h VAL 48 Ca 0.16 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 1thn h VAL 48 Cb 0.33 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1thn h VAL 48 CO 0.01 0.21 -0.02 0.00 0.02 0.00 0.00 177.57 177.78 1thn h THR 49 N -0.85 0.20 -0.01 2.57 1.03 -0.36 -0.54 112.91 114.95 1thn h THR 49 Ca -0.02 -0.16 -0.26 0.00 -0.01 0.00 0.00 66.41 65.96 1thn h THR 49 Cb 0.52 1.12 0.02 0.00 -1.07 0.00 0.00 68.15 68.74 1thn h THR 49 CO 0.04 0.02 -1.02 0.78 -0.01 0.00 0.00 175.52 175.33 1thn h ASN 50 N 0.00 0.85 0.87 0.00 4.21 -0.97 -2.72 115.58 117.82 1thn h ASN 50 Ca -0.00 -0.68 -0.02 0.00 1.21 0.00 0.00 56.30 56.82 1thn h ASN 50 Cb 0.12 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 37.06 1thn h ASN 50 CO 0.00 1.48 -0.08 0.00 -1.29 0.00 0.00 177.43 177.54 1thn h ALA 51 N 0.47 1.04 0.21 -0.83 0.00 0.25 -2.70 119.26 117.69 1thn h ALA 51 Ca -0.12 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.39 1thn h ALA 51 Cb 1.67 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.47 1thn h ALA 51 CO 0.20 0.10 -1.59 0.82 0.00 0.00 0.00 179.25 178.77 1thn h ILE 52 N 0.00 1.10 -0.07 0.00 2.04 -1.17 -3.12 117.51 116.29 1thn h ILE 52 Ca -0.00 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.28 1thn h ILE 52 Cb 0.53 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 1thn h ILE 52 CO 0.01 0.83 0.00 2.30 0.00 0.00 0.00 178.15 181.29 1thn n ILE 53 N -3.69 0.11 -0.02 -0.67 -5.35 -1.04 -1.68 119.36 107.02 1thn n ILE 53 Ca -0.21 -0.56 -0.03 0.00 -0.27 0.00 0.00 62.75 61.68 1thn n ILE 53 Cb 1.07 1.24 -0.02 0.00 -1.74 0.00 0.00 39.64 40.18 1thn n ILE 53 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1thn n HIS 54 N 0.91 0.00 -0.00 4.28 8.25 -1.02 -4.29 115.22 123.34 1thn n HIS 54 Ca 0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.37 1thn n HIS 54 Cb 0.41 -0.17 -0.14 0.00 1.12 0.00 0.00 29.99 31.21 1thn n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1thn n GLY 55 N 3.18 -0.61 0.42 -1.41 0.00 -1.24 -4.46 105.19 101.07 1thn n GLY 55 Ca -0.08 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.76 1thn n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1thn n TYR 56 N -3.42 0.37 -3.39 1.61 0.53 -1.18 -1.59 117.16 110.09 1thn n TYR 56 Ca -0.30 -0.73 -0.16 0.00 -1.02 0.00 0.00 57.90 55.68 1thn n TYR 56 Cb 1.05 -0.14 -0.05 0.00 -1.03 0.00 0.00 39.34 39.16 1thn n TYR 56 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 1thn n ASN 57 N -0.50 0.34 -2.68 7.72 0.23 -1.12 -0.85 115.26 118.39 1thn n ASN 57 Ca 0.13 -0.65 -0.18 0.00 -0.53 0.00 0.00 54.58 53.34 1thn n ASN 57 Cb 0.57 -0.81 0.00 0.00 -2.08 0.00 0.00 39.78 37.46 1thn n ASN 57 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1thn n ASN 58 N -1.28 -4.84 -4.50 0.53 3.02 -0.68 -4.96 115.26 102.56 1thn n ASN 58 Ca -0.14 -0.04 -0.43 0.00 -0.03 0.00 0.00 54.58 53.93 1thn n ASN 58 Cb 0.34 -4.02 -0.08 0.00 -0.61 0.00 0.00 39.78 35.41 1thn n ASN 58 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1thn s ASP 59 N -2.27 6.25 0.59 6.41 2.15 -0.03 -4.93 116.67 124.85 1thn s ASP 59 Ca 0.12 -0.50 0.29 0.00 0.43 0.00 0.00 52.55 52.88 1thn s ASP 59 Cb -0.06 -2.26 1.42 0.00 -0.30 0.00 0.00 42.92 41.72 1thn s ASP 59 CO 0.15 -0.65 1.82 -0.65 -0.17 0.00 0.00 175.17 175.67 1thn h PRO 60 N 8.77 0.00 0.00 4.34 0.11 -1.89 -0.55 132.00 142.79 1thn h PRO 60 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1thn h PRO 60 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1thn h PRO 60 CO 0.83 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.71 1thn n ASN 61 N -3.63 0.00 -4.88 -2.05 3.02 -1.26 -3.42 115.26 103.03 1thn n ASN 61 Ca 0.10 -0.55 -0.32 0.00 -0.03 0.00 0.00 54.58 53.78 1thn n ASN 61 Cb 0.77 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.89 1thn n ASN 61 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1thn s GLY 62 N -1.89 2.27 -0.10 7.41 0.00 -0.21 -4.94 107.32 109.85 1thn s GLY 62 Ca 0.16 -0.42 0.04 0.00 0.00 0.00 0.00 44.72 44.50 1thn s GLY 62 CO 0.13 -0.31 -0.24 -0.42 0.00 0.00 0.00 173.10 172.26 1thn s ILE 63 N -1.70 2.06 0.15 0.90 -1.09 -1.26 0.92 121.20 121.18 1thn s ILE 63 Ca 0.43 -1.02 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 1thn s ILE 63 Cb -0.12 -1.78 -0.04 0.00 -1.58 0.00 0.00 42.46 38.94 1thn s ILE 63 CO 0.23 0.56 0.31 -0.69 -1.23 0.00 0.00 174.94 174.12 1thn s VAL 64 N 0.32 5.29 -0.01 2.92 1.01 0.17 -4.73 120.40 125.37 1thn s VAL 64 Ca -0.18 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1thn s VAL 64 Cb -0.18 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1thn s VAL 64 CO 0.09 -0.08 -0.17 -0.55 0.00 0.00 0.00 175.10 174.39 1thn s SER 65 N -3.06 2.01 -0.06 3.32 0.15 -1.12 -2.18 113.70 112.77 1thn s SER 65 Ca 0.36 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.69 1thn s SER 65 Cb -0.11 -0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.00 1thn s SER 65 CO 0.28 0.20 -0.05 -0.63 1.20 0.00 0.00 173.24 174.24 1thn s ILE 66 N -0.46 0.65 -0.20 6.45 1.01 -0.80 -0.01 121.20 127.84 1thn s ILE 66 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 1thn s ILE 66 Cb -0.07 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.74 1thn s ILE 66 CO -0.00 0.26 -0.15 -0.44 0.00 0.00 0.00 174.94 174.61 1thn s SER 67 N 1.13 3.53 -0.66 3.58 0.01 -0.66 -1.73 113.70 118.89 1thn s SER 67 Ca -0.07 -0.61 0.06 0.00 1.31 0.00 0.00 55.95 56.63 1thn s SER 67 Cb -0.14 -1.56 0.22 0.00 0.21 0.00 0.00 66.02 64.75 1thn s SER 67 CO -0.01 -0.02 0.65 0.52 0.41 0.00 0.00 173.24 174.80 1thn n VAL 68 N 4.66 2.06 -2.66 3.43 0.31 -0.79 -0.74 118.33 124.60 1thn n VAL 68 Ca -0.20 -5.08 -0.43 0.00 -0.01 0.00 0.00 64.34 58.63 1thn n VAL 68 Cb 0.50 -2.13 -0.02 0.00 -0.91 0.00 0.00 33.84 31.28 1thn n VAL 68 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1thn s ILE 69 N -2.09 4.71 -0.25 2.52 -1.09 0.99 -3.59 121.20 122.40 1thn s ILE 69 Ca 0.34 2.00 -0.05 0.00 -2.23 0.00 0.00 60.65 60.71 1thn s ILE 69 Cb 0.08 -4.29 -0.01 0.00 -1.58 0.00 0.00 42.46 36.66 1thn s ILE 69 CO -0.07 -0.06 0.02 -0.63 -1.23 0.00 0.00 174.94 172.96 1thn s ILE 70 N 2.48 3.74 -0.07 2.92 1.01 -0.70 -0.52 121.20 130.06 1thn s ILE 70 Ca 0.47 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 1thn s ILE 70 Cb -0.18 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.53 1thn s ILE 70 CO 0.14 0.30 -0.03 -0.70 0.00 0.00 0.00 174.94 174.64 1thn s GLU 71 N 1.51 0.93 3.46 2.79 2.56 -1.15 -2.53 118.70 126.27 1thn s GLU 71 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.97 54.96 1thn s GLU 71 Cb -0.15 -1.09 0.00 0.00 2.00 0.00 0.00 34.13 34.89 1thn s GLU 71 CO -0.00 -0.22 0.00 -3.47 -0.56 0.00 0.00 175.26 171.01 1thn n ASP 72 N 4.72 0.00 -1.57 -1.70 -0.08 -1.26 -1.28 116.55 115.39 1thn n ASP 72 Ca -0.14 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.03 1thn n ASP 72 Cb 0.50 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.04 1thn n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1thn n GLY 73 N 0.00 3.18 3.44 0.27 0.00 -1.26 -4.93 105.19 105.90 1thn n GLY 73 Ca 0.00 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1thn n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1thn s VAL 74 N -1.51 2.89 -0.56 1.61 -7.23 -0.40 -4.22 120.40 110.98 1thn s VAL 74 Ca 0.25 -0.78 -0.14 0.00 -1.81 0.00 0.00 61.98 59.50 1thn s VAL 74 Cb 0.21 -2.12 0.14 0.00 0.56 0.00 0.00 36.38 35.17 1thn s VAL 74 CO 0.04 0.59 0.50 -0.69 -0.31 0.00 0.00 175.10 175.22 1thn s VAL 75 N -0.63 5.02 -0.41 1.32 1.01 -0.58 -2.93 120.40 123.20 1thn s VAL 75 Ca 0.09 -1.69 -0.27 0.00 0.00 0.00 0.00 61.98 60.12 1thn s VAL 75 Cb -0.11 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1thn s VAL 75 CO 0.01 -0.87 0.98 -1.00 0.00 0.00 0.00 175.10 174.21 1thn s HIS 76 N 1.36 3.00 -0.11 5.22 3.76 0.32 -3.25 115.29 125.59 1thn s HIS 76 Ca 0.05 0.70 0.03 0.00 -0.15 0.00 0.00 55.06 55.69 1thn s HIS 76 Cb -0.27 -3.88 -0.00 0.00 1.11 0.00 0.00 32.58 29.54 1thn s HIS 76 CO 0.01 -0.97 -0.21 -1.17 -0.85 0.00 0.00 174.74 171.54 1thn s LEU 77 N 3.74 2.23 -0.32 0.89 2.96 -1.02 -0.01 118.68 127.15 1thn s LEU 77 Ca 0.40 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1thn s LEU 77 Cb -0.11 -1.46 0.11 0.00 0.50 0.00 0.00 46.19 45.24 1thn s LEU 77 CO 0.23 0.15 0.15 -0.89 -1.32 0.00 0.00 176.35 174.67 1thn s THR 78 N 0.39 0.36 0.32 3.68 2.01 0.08 0.70 115.64 123.16 1thn s THR 78 Ca -0.16 -1.31 -0.22 0.00 0.31 0.00 0.00 61.69 60.31 1thn s THR 78 Cb -0.17 -1.28 -0.10 0.00 0.01 0.00 0.00 72.50 70.96 1thn s THR 78 CO 0.07 -0.79 0.87 -0.69 -0.69 0.00 0.00 174.62 173.39 1thn s VAL 79 N 1.58 4.38 0.08 3.82 1.01 -1.15 -1.66 120.40 128.46 1thn s VAL 79 Ca 0.12 1.54 -0.06 0.00 0.00 0.00 0.00 61.98 63.58 1thn s VAL 79 Cb -0.19 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1thn s VAL 79 CO -0.22 0.04 0.11 0.00 0.00 0.00 0.00 175.10 175.03 1thn s ARG 80 N -2.33 0.76 0.08 2.72 1.70 0.98 -0.63 118.95 122.24 1thn s ARG 80 Ca 0.51 -1.06 0.05 0.00 -0.47 0.00 0.00 55.73 54.76 1thn s ARG 80 Cb -0.16 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1thn s ARG 80 CO 0.20 -0.21 -0.14 0.34 -1.08 0.00 0.00 175.30 174.41 1thn s ASP 81 N -2.89 1.72 -0.35 -2.89 -1.08 0.58 -2.81 116.67 108.96 1thn s ASP 81 Ca 0.06 -0.66 0.14 0.00 -0.52 0.00 0.00 52.55 51.57 1thn s ASP 81 Cb 0.06 -0.05 0.45 0.00 -1.46 0.00 0.00 42.92 41.92 1thn s ASP 81 CO -0.10 -0.10 1.00 -0.62 0.52 0.00 0.00 175.17 175.87 1thn n GLU 82 N 1.11 1.82 0.00 4.34 1.02 -1.26 -2.13 120.64 125.54 1thn n GLU 82 Ca -0.20 -3.62 0.00 0.00 -0.02 0.00 0.00 57.16 53.32 1thn n GLU 82 Cb 0.55 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1thn n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1thn n GLY 83 N -0.20 5.11 0.31 0.62 0.00 -1.26 -4.76 105.19 105.01 1thn n GLY 83 Ca 0.18 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.55 1thn n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1thn h VAL 84 N 0.00 0.78 0.00 1.61 2.07 -1.51 0.93 116.25 120.13 1thn h VAL 84 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1thn h VAL 84 Cb 0.00 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1thn h VAL 84 CO 0.00 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1thn n GLY 85 N -1.33 -0.81 3.12 2.17 0.00 -1.26 0.28 105.19 107.36 1thn n GLY 85 Ca 0.17 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 1thn n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1thn s ILE 86 N -1.12 2.30 0.02 -0.61 1.01 -1.26 -4.80 121.20 116.75 1thn s ILE 86 Ca 0.00 -1.24 -0.25 0.00 0.00 0.00 0.00 60.65 59.16 1thn s ILE 86 Cb 0.00 -2.17 -0.18 0.00 0.01 0.00 0.00 42.46 40.12 1thn s ILE 86 CO 0.00 0.23 1.43 -0.65 0.00 0.00 0.00 174.94 175.95 1thn h PRO 87 N 7.89 -0.08 -4.66 2.79 0.11 -1.91 -3.40 132.00 132.74 1thn h PRO 87 Ca -0.32 0.01 -0.68 0.00 0.11 0.00 0.00 66.00 65.11 1thn h PRO 87 Cb 1.09 0.02 -0.35 0.00 0.11 0.00 0.00 31.00 31.87 1thn h PRO 87 CO 0.55 0.22 -0.66 0.34 -0.21 0.00 0.00 178.00 178.24 1thn s ASP 88 N -5.40 4.95 -0.05 -2.05 -1.08 -1.26 -4.96 116.67 106.81 1thn s ASP 88 Ca -0.15 -1.75 -0.23 0.00 -0.52 0.00 0.00 52.55 49.90 1thn s ASP 88 Cb 0.03 -1.72 -0.26 0.00 -1.46 0.00 0.00 42.92 39.52 1thn s ASP 88 CO 0.65 -0.38 0.98 -0.29 0.52 0.00 0.00 175.17 176.65 1thn h ILE 89 N 6.49 1.55 -0.92 4.11 2.10 -1.97 -3.05 117.51 125.81 1thn h ILE 89 Ca -0.14 -2.17 0.15 0.00 1.08 0.00 0.00 64.86 63.77 1thn h ILE 89 Cb 1.05 2.92 -0.08 0.00 -1.09 0.00 0.00 36.82 39.62 1thn h ILE 89 CO 0.58 0.60 0.59 -0.33 -1.08 0.00 0.00 178.15 178.51 1thn h GLU 90 N -0.45 0.72 -0.43 2.19 4.39 -1.96 0.21 114.58 119.24 1thn h GLU 90 Ca -0.06 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.45 1thn h GLU 90 Cb 1.22 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1thn h GLU 90 CO 0.08 0.48 -0.28 1.49 -1.16 0.00 0.00 179.01 179.62 1thn h GLU 91 N 0.74 0.96 0.03 2.33 4.81 -1.97 -3.12 114.58 118.36 1thn h GLU 91 Ca 0.47 -0.45 -0.21 0.00 -0.13 0.00 0.00 59.36 59.04 1thn h GLU 91 Cb 0.71 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1thn h GLU 91 CO -0.23 1.11 -0.97 0.00 -0.73 0.00 0.00 179.01 178.19 1thn h ALA 92 N 0.82 0.41 0.00 2.92 0.00 -1.25 -3.05 119.26 119.11 1thn h ALA 92 Ca 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1thn h ALA 92 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1thn h ALA 92 CO 0.08 1.00 0.00 0.54 0.00 0.00 0.00 179.25 180.87 1thn n ARG 93 N -3.56 0.49 -3.67 0.00 5.12 0.65 -4.66 116.66 111.03 1thn n ARG 93 Ca -0.04 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.51 1thn n ARG 93 Cb 0.88 -1.21 -0.06 0.00 -1.16 0.00 0.00 32.46 30.91 1thn n ARG 93 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1thn s GLN 94 N -2.00 3.79 0.20 5.56 -0.21 -1.16 -5.01 119.66 120.83 1thn s GLN 94 Ca 0.10 0.12 -0.32 0.00 0.02 0.00 0.00 55.36 55.27 1thn s GLN 94 Cb 0.04 -3.25 -0.14 0.00 1.00 0.00 0.00 33.01 30.66 1thn s GLN 94 CO 0.08 0.64 1.35 -0.35 -2.12 0.00 0.00 175.29 174.88 1thn n PRO 95 N 2.24 1.73 -2.06 2.91 -0.04 -1.26 -2.96 135.00 135.56 1thn n PRO 95 Ca -0.16 0.62 -0.16 0.00 -0.04 0.00 0.00 63.50 63.75 1thn n PRO 95 Cb 0.53 -2.24 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1thn n PRO 95 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1thn n LEU 96 N 2.28 -1.58 -4.74 1.53 4.32 -1.21 -5.01 117.00 112.59 1thn n LEU 96 Ca 0.14 0.11 -0.35 0.00 -0.02 0.00 0.00 56.01 55.89 1thn n LEU 96 Cb 0.28 -2.40 -0.08 0.00 -1.62 0.00 0.00 43.42 39.60 1thn n LEU 96 CO 0.62 -0.38 -0.21 0.12 -1.22 0.00 0.00 177.39 176.32 1thn s PHE 97 N -2.76 3.39 0.25 -1.77 5.36 -1.16 -4.58 117.98 116.71 1thn s PHE 97 Ca 0.00 0.29 -0.01 0.00 -0.96 0.00 0.00 56.93 56.25 1thn s PHE 97 Cb 0.00 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.61 1thn s PHE 97 CO 0.00 0.38 0.24 -0.08 -1.46 0.00 0.00 175.22 174.30 1thn s THR 98 N -0.11 0.00 -0.02 0.12 -1.32 -1.26 -4.06 115.64 108.98 1thn s THR 98 Ca 0.09 -1.89 0.03 0.00 -1.21 0.00 0.00 61.69 58.71 1thn s THR 98 Cb -0.12 -2.48 0.05 0.00 -1.51 0.00 0.00 72.50 68.44 1thn s THR 98 CO 0.01 0.00 0.86 0.35 -2.21 0.00 0.00 174.62 173.62 1thn n THR 99 N -0.39 0.66 -3.20 5.08 -2.24 -1.26 -4.87 114.28 108.05 1thn n THR 99 Ca 0.03 -0.72 -0.24 0.00 -2.27 0.00 0.00 64.05 60.86 1thn n THR 99 Cb 0.64 0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 69.36 1thn n THR 99 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1thn n LYS 100 N -0.41 0.90 0.10 -0.78 5.02 -1.26 -4.89 118.16 116.85 1thn n LYS 100 Ca 0.03 -3.36 0.08 0.00 -2.02 0.00 0.00 58.31 53.03 1thn n LYS 100 Cb 0.46 -1.36 0.38 0.00 -0.02 0.00 0.00 35.03 34.50 1thn n LYS 100 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1thn n PRO 101 N 1.21 0.10 0.20 1.97 -0.02 -1.26 -1.54 135.00 135.66 1thn n PRO 101 Ca 0.22 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.35 1thn n PRO 101 Cb 0.54 -1.78 0.14 0.00 -0.02 0.00 0.00 33.50 32.38 1thn n PRO 101 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1thn h GLU 102 N 0.00 0.00 -0.02 -0.52 5.08 -1.96 -3.11 114.58 114.05 1thn h GLU 102 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1thn h GLU 102 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1thn h GLU 102 CO 0.00 0.04 -0.01 1.28 -1.00 0.00 0.00 179.01 179.32 1thn n LEU 103 N -3.06 2.62 -1.25 1.33 4.77 -0.59 -4.98 117.00 115.85 1thn n LEU 103 Ca 0.03 -1.00 -0.04 0.00 -0.03 0.00 0.00 56.01 54.97 1thn n LEU 103 Cb 0.55 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1thn n LEU 103 CO 0.35 0.45 0.04 -0.62 -1.33 0.00 0.00 177.39 176.29 1thn n GLU 104 N 1.09 -1.54 -2.78 3.23 1.02 -1.18 -5.06 120.64 115.43 1thn n GLU 104 Ca 0.11 0.17 -0.32 0.00 -0.02 0.00 0.00 57.16 57.11 1thn n GLU 104 Cb 0.49 -3.19 -0.04 0.00 -0.02 0.00 0.00 31.44 28.68 1thn n GLU 104 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1thn s ARG 105 N -4.95 3.92 -0.10 3.49 1.81 -1.18 -5.05 118.95 116.89 1thn s ARG 105 Ca 0.08 0.72 0.11 0.00 -1.72 0.00 0.00 55.73 54.93 1thn s ARG 105 Cb -0.04 -2.30 -0.16 0.00 -0.45 0.00 0.00 34.95 32.00 1thn s ARG 105 CO 0.15 -0.06 0.09 -1.13 -0.68 0.00 0.00 175.30 173.66 1thn n SER 106 N -1.12 1.96 0.00 0.23 3.41 -1.26 -4.83 113.62 112.01 1thn n SER 106 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1thn n SER 106 Cb 0.54 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 1thn n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1thn n GLY 107 N 2.15 0.55 0.20 5.00 0.00 -1.26 -4.19 105.19 107.65 1thn n GLY 107 Ca -0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.93 1thn n GLY 107 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1thn h MET 108 N 4.75 0.00 -0.70 1.61 2.86 -1.92 -3.21 114.93 118.33 1thn h MET 108 Ca 0.00 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 1thn h MET 108 Cb 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.54 1thn h MET 108 CO 0.00 0.28 -0.23 0.41 1.06 0.00 0.00 176.91 178.44 1thn n GLY 109 N 0.40 -1.32 0.16 8.32 0.00 -1.26 -0.30 105.19 111.19 1thn n GLY 109 Ca 0.01 0.76 0.06 0.00 0.00 0.00 0.00 46.02 46.85 1thn n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1thn h PHE 110 N 0.00 0.00 -0.02 1.61 -1.00 -1.91 -2.15 116.94 113.46 1thn h PHE 110 Ca 0.28 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.85 1thn h PHE 110 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1thn h PHE 110 CO -0.58 0.33 -0.90 1.15 -1.61 0.00 0.00 178.31 176.71 1thn h THR 111 N 0.00 1.40 0.15 -1.55 2.02 -0.89 0.71 112.91 114.74 1thn h THR 111 Ca -0.02 -2.39 -0.01 0.00 0.77 0.00 0.00 66.41 64.76 1thn h THR 111 Cb 1.27 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1thn h THR 111 CO 0.04 0.72 -0.07 0.40 0.37 0.00 0.00 175.52 176.98 1thn h ILE 112 N 0.24 1.00 -0.28 3.11 2.04 -0.68 0.32 117.51 123.26 1thn h ILE 112 Ca -0.07 -0.83 0.07 0.00 1.00 0.00 0.00 64.86 65.03 1thn h ILE 112 Cb 1.52 1.50 -0.08 0.00 -0.74 0.00 0.00 36.82 39.03 1thn h ILE 112 CO 0.16 0.19 -0.26 0.24 0.00 0.00 0.00 178.15 178.48 1thn h MET 113 N -0.61 -0.24 -0.18 2.37 2.86 -1.34 0.89 114.93 118.69 1thn h MET 113 Ca -0.02 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1thn h MET 113 Cb 0.46 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.12 1thn h MET 113 CO 0.03 -0.16 -0.19 0.93 1.06 0.00 0.00 176.91 178.59 1thn h GLU 114 N -0.25 -0.20 -0.22 1.72 5.08 0.52 -0.38 114.58 120.85 1thn h GLU 114 Ca 0.15 0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.34 1thn h GLU 114 Cb 0.48 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1thn h GLU 114 CO -0.42 -0.14 -0.59 -0.91 -1.00 0.00 0.00 179.01 175.95 1thn h ASN 115 N -0.21 0.79 0.42 1.42 -0.26 0.48 -3.26 115.58 114.96 1thn h ASN 115 Ca 0.11 -0.44 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 1thn h ASN 115 Cb 0.38 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1thn h ASN 115 CO -0.30 1.20 -0.30 0.49 -1.06 0.00 0.00 177.43 177.46 1thn n PHE 116 N -3.97 0.00 -4.25 1.19 0.99 0.30 -4.89 117.46 106.84 1thn n PHE 116 Ca -0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.22 1thn n PHE 116 Cb 0.64 -0.21 -0.11 0.00 -1.00 0.00 0.00 39.48 38.80 1thn n PHE 116 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.76 175.12 1thn s MET 117 N -2.72 1.04 0.47 -1.08 -1.94 -0.16 -4.72 119.30 110.19 1thn s MET 117 Ca 0.19 -1.21 0.27 0.00 -1.71 0.00 0.00 55.69 53.23 1thn s MET 117 Cb 0.19 -1.00 0.94 0.00 2.01 0.00 0.00 34.83 36.96 1thn s MET 117 CO 0.58 0.20 1.83 -0.44 -0.01 0.00 0.00 175.02 177.18 1thn h ASP 118 N 3.66 0.00 -3.56 3.03 3.32 -1.35 -3.43 116.42 118.09 1thn h ASP 118 Ca -0.41 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 1thn h ASP 118 Cb 1.19 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.53 1thn h ASP 118 CO 0.48 0.12 0.04 -1.61 -1.72 0.00 0.00 179.24 176.54 1thn s GLU 119 N -3.54 0.74 -0.47 3.56 2.02 -1.22 -4.98 118.70 114.81 1thn s GLU 119 Ca 0.02 1.05 0.03 0.00 0.02 0.00 0.00 54.97 56.09 1thn s GLU 119 Cb 0.09 0.27 0.14 0.00 0.10 0.00 0.00 34.13 34.73 1thn s GLU 119 CO 0.61 -0.12 0.29 0.08 0.02 0.00 0.00 175.26 176.14 1thn s VAL 120 N 0.92 1.44 -0.09 2.63 1.01 -1.26 -1.63 120.40 123.42 1thn s VAL 120 Ca -0.04 -2.80 -0.14 0.00 0.00 0.00 0.00 61.98 59.00 1thn s VAL 120 Cb -0.05 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1thn s VAL 120 CO -0.08 -0.96 0.33 -0.63 0.00 0.00 0.00 175.10 173.76 1thn s ILE 121 N 0.07 5.22 -0.07 2.22 1.01 -0.81 -4.92 121.20 123.92 1thn s ILE 121 Ca 0.21 0.65 0.02 0.00 0.00 0.00 0.00 60.65 61.52 1thn s ILE 121 Cb -0.18 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.66 1thn s ILE 121 CO -0.05 0.48 -0.11 -0.69 0.00 0.00 0.00 174.94 174.57 1thn s VAL 122 N -0.26 1.08 -0.19 2.92 1.01 -1.26 0.11 120.40 123.80 1thn s VAL 122 Ca 0.20 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1thn s VAL 122 Cb -0.14 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.25 1thn s VAL 122 CO 0.08 0.35 -0.17 -1.83 0.00 0.00 0.00 175.10 173.53 1thn s GLU 123 N 0.89 2.72 -0.07 2.72 -1.05 -1.18 -5.02 118.70 117.71 1thn s GLU 123 Ca -0.10 -0.90 -0.05 0.00 -0.15 0.00 0.00 54.97 53.77 1thn s GLU 123 Cb -0.15 -2.57 0.03 0.00 -0.44 0.00 0.00 34.13 31.00 1thn s GLU 123 CO 0.01 -0.29 0.18 0.45 0.95 0.00 0.00 175.26 176.56 1thn s SER 124 N 1.28 -0.17 -0.11 0.83 0.15 -1.26 -2.93 113.70 111.49 1thn s SER 124 Ca 0.02 0.37 0.03 0.00 0.70 0.00 0.00 55.95 57.07 1thn s SER 124 Cb -0.14 0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1thn s SER 124 CO -0.11 -0.11 -0.21 -0.70 1.20 0.00 0.00 173.24 173.30 1thn s GLU 125 N 0.73 3.13 0.09 5.44 2.56 -1.23 -4.51 118.70 124.91 1thn s GLU 125 Ca -0.05 -0.83 -0.36 0.00 0.00 0.00 0.00 54.97 53.72 1thn s GLU 125 Cb -0.07 -2.39 -0.17 0.00 2.00 0.00 0.00 34.13 33.50 1thn s GLU 125 CO -0.04 0.17 1.16 0.28 -0.56 0.00 0.00 175.26 176.28 1thn n VAL 126 N 3.56 0.34 -1.90 3.70 0.31 -1.26 -0.06 118.33 123.01 1thn n VAL 126 Ca -0.19 -0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 63.94 1thn n VAL 126 Cb 0.53 -0.52 -0.03 0.00 -0.91 0.00 0.00 33.84 32.91 1thn n VAL 126 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1thn n ASN 127 N 2.06 -3.47 -0.00 4.52 4.13 0.80 -4.73 115.26 118.56 1thn n ASN 127 Ca 0.18 0.25 0.03 0.00 1.68 0.00 0.00 54.58 56.72 1thn n ASN 127 Cb 0.17 -3.11 -0.04 0.00 -1.54 0.00 0.00 39.78 35.26 1thn n ASN 127 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1thn n LYS 128 N -2.30 2.47 0.00 3.52 4.81 0.91 -4.88 118.16 122.69 1thn n LYS 128 Ca -0.13 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1thn n LYS 128 Cb 0.50 -0.98 0.00 0.00 0.02 0.00 0.00 35.03 34.57 1thn n LYS 128 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1thn n GLY 129 N 1.66 0.10 3.40 3.14 0.00 0.32 -4.59 105.19 109.22 1thn n GLY 129 Ca -0.00 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 43.85 1thn n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1thn s THR 130 N -1.26 2.13 -0.25 2.61 2.01 -0.90 -3.47 115.64 116.50 1thn s THR 130 Ca 0.00 -2.14 -0.03 0.00 0.31 0.00 0.00 61.69 59.83 1thn s THR 130 Cb 0.00 -2.08 0.10 0.00 0.01 0.00 0.00 72.50 70.53 1thn s THR 130 CO 0.00 -0.34 0.17 -0.89 -0.69 0.00 0.00 174.62 172.87 1thn s THR 131 N -2.24 -0.18 -0.68 -0.82 2.01 -1.15 0.22 115.64 112.80 1thn s THR 131 Ca 0.22 -0.49 -0.22 0.00 0.31 0.00 0.00 61.69 61.52 1thn s THR 131 Cb -0.05 -0.85 0.08 0.00 0.01 0.00 0.00 72.50 71.68 1thn s THR 131 CO 0.10 -0.51 0.96 -0.69 -0.69 0.00 0.00 174.62 173.79 1thn s VAL 132 N 2.19 4.39 -1.23 3.82 1.01 0.20 -3.10 120.40 127.69 1thn s VAL 132 Ca 0.07 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1thn s VAL 132 Cb -0.16 -4.68 0.07 0.00 0.00 0.00 0.00 36.38 31.61 1thn s VAL 132 CO -0.27 -1.44 1.65 -0.31 0.00 0.00 0.00 175.10 174.73 1thn s TYR 133 N 3.85 2.75 0.56 5.22 1.51 0.30 -2.91 117.35 128.63 1thn s TYR 133 Ca 0.22 -1.46 -0.07 0.00 -1.01 0.00 0.00 57.07 54.76 1thn s TYR 133 Cb -0.16 -4.73 -0.01 0.00 -0.11 0.00 0.00 41.96 36.95 1thn s TYR 133 CO 0.08 -1.82 0.89 -0.51 -1.11 0.00 0.00 175.55 173.08 1thn s LEU 134 N 4.30 3.35 0.10 -1.29 1.43 0.22 -1.92 118.68 124.87 1thn s LEU 134 Ca 0.52 0.93 -0.19 0.00 -1.03 0.00 0.00 54.13 54.35 1thn s LEU 134 Cb 0.03 -3.83 0.05 0.00 0.03 0.00 0.00 46.19 42.46 1thn s LEU 134 CO 0.03 -0.88 0.47 -0.75 0.23 0.00 0.00 176.35 175.46 1thn s LYS 135 N -4.96 1.07 -0.07 1.70 2.20 -0.65 -2.43 119.74 116.62 1thn s LYS 135 Ca 0.52 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 55.35 1thn s LYS 135 Cb -0.11 0.48 0.11 0.00 -1.51 0.00 0.00 37.83 36.81 1thn s LYS 135 CO 0.47 -0.41 0.93 0.21 -0.36 0.00 0.00 175.35 176.18 1thn s LYS 136 N -3.22 0.73 0.00 4.03 2.20 -1.20 -1.08 119.74 121.21 1thn s LYS 136 Ca -0.01 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1thn s LYS 136 Cb 0.00 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1thn s LYS 136 CO -0.08 -0.29 0.00 -2.39 -0.36 0.00 0.00 175.35 172.23