#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nd1 s PHE 3 N 0.00 3.08 -0.10 -0.14 0.08 -1.26 -5.11 117.98 114.52 1nd1 s PHE 3 Ca 0.00 0.04 -0.02 0.00 0.12 0.00 0.00 56.93 57.07 1nd1 s PHE 3 Cb 0.00 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 1nd1 s PHE 3 CO 0.00 0.49 -0.03 0.45 -0.10 0.00 0.00 175.22 176.03 1nd1 s SER 4 N -2.18 4.90 0.29 1.36 0.15 -1.26 -4.94 113.70 112.02 1nd1 s SER 4 Ca 0.26 0.00 -0.28 0.00 0.70 0.00 0.00 55.95 56.63 1nd1 s SER 4 Cb -0.12 -1.46 -0.14 0.00 -1.71 0.00 0.00 66.02 62.59 1nd1 s SER 4 CO 0.18 0.31 1.03 -0.81 1.20 0.00 0.00 173.24 175.15 1nd1 n PRO 5 N 2.60 1.40 -4.24 5.44 -0.04 -1.26 -4.91 135.00 133.99 1nd1 n PRO 5 Ca -0.18 0.49 -0.18 0.00 -0.04 0.00 0.00 63.50 63.59 1nd1 n PRO 5 Cb 0.53 -1.88 -0.13 0.00 -0.04 0.00 0.00 33.50 31.99 1nd1 n PRO 5 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1nd1 s ARG 6 N -1.55 0.78 -0.15 0.54 1.81 -0.85 -4.83 118.95 114.70 1nd1 s ARG 6 Ca 0.59 -0.73 0.01 0.00 -1.72 0.00 0.00 55.73 53.88 1nd1 s ARG 6 Cb -0.70 -0.73 0.02 0.00 -0.45 0.00 0.00 34.95 33.09 1nd1 s ARG 6 CO 0.60 0.17 -0.18 0.71 -0.68 0.00 0.00 175.30 175.92 1nd1 s TYR 7 N -0.95 2.43 -0.35 -0.53 1.51 -0.23 -1.15 117.35 118.08 1nd1 s TYR 7 Ca -0.01 -1.32 0.01 0.00 -1.01 0.00 0.00 57.07 54.74 1nd1 s TYR 7 Cb -0.08 -1.71 0.09 0.00 -0.11 0.00 0.00 41.96 40.15 1nd1 s TYR 7 CO 0.01 -0.66 0.07 0.42 -1.11 0.00 0.00 175.55 174.28 1nd1 s ILE 8 N 1.17 2.62 -0.35 2.71 1.09 0.27 -4.37 121.20 124.34 1nd1 s ILE 8 Ca -0.00 -2.09 -0.29 0.00 -1.10 0.00 0.00 60.65 57.17 1nd1 s ILE 8 Cb -0.14 -2.81 0.00 0.00 -1.06 0.00 0.00 42.46 38.45 1nd1 s ILE 8 CO -0.08 -0.51 1.41 -1.61 -0.10 0.00 0.00 174.94 174.05 1nd1 s GLU 9 N 1.03 3.70 -0.19 2.79 2.02 -1.26 -3.29 118.70 123.49 1nd1 s GLU 9 Ca 0.06 1.13 -0.14 0.00 0.02 0.00 0.00 54.97 56.04 1nd1 s GLU 9 Cb -0.20 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.00 1nd1 s GLU 9 CO -0.06 -1.41 0.32 -1.17 0.02 0.00 0.00 175.26 172.96 1nd1 s LEU 10 N 5.12 4.19 -0.12 1.80 1.98 -0.04 -1.10 118.68 130.51 1nd1 s LEU 10 Ca 0.61 0.45 -0.02 0.00 -2.89 0.00 0.00 54.13 52.29 1nd1 s LEU 10 Cb -0.16 -2.39 -0.03 0.00 0.66 0.00 0.00 46.19 44.27 1nd1 s LEU 10 CO 0.29 0.02 -0.06 0.00 -1.89 0.00 0.00 176.35 174.72 1nd1 s ALA 11 N 0.91 2.96 -0.10 5.97 0.00 -0.31 0.43 121.76 131.63 1nd1 s ALA 11 Ca 0.16 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1nd1 s ALA 11 Cb -0.14 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 1nd1 s ALA 11 CO 0.06 0.34 -0.17 0.08 0.00 0.00 0.00 175.76 176.06 1nd1 s VAL 12 N -0.02 2.73 -0.15 0.00 1.01 -0.62 -1.64 120.40 121.70 1nd1 s VAL 12 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1nd1 s VAL 12 Cb -0.13 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1nd1 s VAL 12 CO 0.03 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.80 1nd1 s VAL 13 N 0.06 2.29 -0.20 2.92 1.01 -0.27 -1.04 120.40 125.17 1nd1 s VAL 13 Ca -0.07 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 1nd1 s VAL 13 Cb -0.15 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1nd1 s VAL 13 CO 0.05 0.53 0.01 0.00 0.00 0.00 0.00 175.10 175.69 1nd1 s ALA 14 N 0.90 3.08 1.15 5.51 0.00 0.59 -0.11 121.76 132.88 1nd1 s ALA 14 Ca -0.04 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 1nd1 s ALA 14 Cb -0.15 -1.79 0.27 0.00 0.00 0.00 0.00 23.12 21.45 1nd1 s ALA 14 CO -0.03 -0.10 1.19 0.16 0.00 0.00 0.00 175.76 176.98 1nd1 s ASP 15 N 0.90 1.43 0.52 0.00 1.47 -0.88 -0.90 116.67 119.21 1nd1 s ASP 15 Ca 0.01 0.44 0.29 0.00 1.18 0.00 0.00 52.55 54.47 1nd1 s ASP 15 Cb -0.14 -0.56 1.44 0.00 -0.34 0.00 0.00 42.92 43.32 1nd1 s ASP 15 CO 0.02 -3.79 2.05 -0.74 0.68 0.00 0.00 175.17 173.39 1nd1 h HIS 16 N -2.36 0.00 -0.45 2.11 -0.00 -1.87 -2.49 115.15 110.09 1nd1 h HIS 16 Ca -0.44 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 59.80 1nd1 h HIS 16 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.66 1nd1 h HIS 16 CO -2.11 0.11 -0.25 0.78 -0.00 0.00 0.00 177.93 176.47 1nd1 h GLY 17 N 1.08 1.03 1.32 5.26 0.00 -1.91 -1.95 103.07 107.89 1nd1 h GLY 17 Ca -0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 47.33 46.27 1nd1 h GLY 17 CO 0.01 0.85 -0.30 -2.22 0.00 0.00 0.00 176.54 174.88 1nd1 h ILE 18 N 0.81 1.28 0.15 2.60 2.04 -1.78 -0.89 117.51 121.71 1nd1 h ILE 18 Ca 0.10 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.52 1nd1 h ILE 18 Cb 0.82 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1nd1 h ILE 18 CO 0.07 0.48 -0.13 0.15 0.00 0.00 0.00 178.15 178.71 1nd1 h PHE 19 N 0.65 -0.34 0.00 1.37 3.57 -1.19 -2.24 116.94 118.76 1nd1 h PHE 19 Ca 0.08 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 1nd1 h PHE 19 Cb 0.83 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1nd1 h PHE 19 CO 0.04 -0.20 -0.41 1.79 -2.23 0.00 0.00 178.31 177.30 1nd1 h THR 20 N -0.30 0.83 -0.43 4.41 1.35 -1.34 -0.63 112.91 116.80 1nd1 h THR 20 Ca -0.00 -1.79 -0.05 0.00 -0.55 0.00 0.00 66.41 64.01 1nd1 h THR 20 Cb 0.28 2.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.81 1nd1 h THR 20 CO -0.02 0.41 0.04 0.50 -0.25 0.00 0.00 175.52 176.20 1nd1 h LYS 21 N 0.00 0.67 -1.03 4.72 3.64 -0.85 -2.64 116.57 121.07 1nd1 h LYS 21 Ca -0.00 -0.14 -0.65 0.00 -1.27 0.00 0.00 60.65 58.58 1nd1 h LYS 21 Cb 1.10 -0.10 -0.28 0.00 -0.41 0.00 0.00 32.23 32.55 1nd1 h LYS 21 CO 0.05 0.65 0.84 0.66 -2.27 0.00 0.00 179.45 179.39 1nd1 n TYR 22 N -4.27 3.12 -4.18 1.91 4.01 -0.87 -4.91 117.16 111.97 1nd1 n TYR 22 Ca 0.02 -2.94 -0.35 0.00 -0.16 0.00 0.00 57.90 54.48 1nd1 n TYR 22 Cb 0.25 -1.41 -0.02 0.00 -0.31 0.00 0.00 39.34 37.84 1nd1 n TYR 22 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1nd1 n ASN 23 N -0.84 -3.18 -2.56 7.72 3.02 -0.99 -1.59 115.26 116.83 1nd1 n ASN 23 Ca 0.61 -0.99 -0.15 0.00 -0.03 0.00 0.00 54.58 54.01 1nd1 n ASN 23 Cb 0.68 -2.86 -0.00 0.00 -0.61 0.00 0.00 39.78 36.98 1nd1 n ASN 23 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1nd1 n SER 24 N -2.70 -4.20 -4.35 6.41 7.64 -0.25 -4.94 113.62 111.25 1nd1 n SER 24 Ca 0.04 0.09 -0.41 0.00 1.01 0.00 0.00 58.87 59.60 1nd1 n SER 24 Cb 0.51 -3.54 -0.10 0.00 -1.01 0.00 0.00 64.21 60.08 1nd1 n SER 24 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1nd1 s ASN 25 N -2.13 5.81 0.26 6.43 3.84 -0.62 -4.96 114.94 123.56 1nd1 s ASN 25 Ca 0.06 -1.24 -0.03 0.00 0.21 0.00 0.00 52.86 51.86 1nd1 s ASN 25 Cb -0.03 -2.05 0.32 0.00 -0.55 0.00 0.00 41.25 38.93 1nd1 s ASN 25 CO 0.07 -0.50 1.77 -0.07 -2.79 0.00 0.00 177.10 175.59 1nd1 h LEU 26 N 8.51 0.83 -0.48 3.21 4.07 -1.92 -3.01 115.31 126.51 1nd1 h LEU 26 Ca -0.25 -0.18 0.10 0.00 0.08 0.00 0.00 57.88 57.63 1nd1 h LEU 26 Cb 1.10 -0.22 -0.08 0.00 1.08 0.00 0.00 40.66 42.54 1nd1 h LEU 26 CO 0.75 0.84 -0.05 0.78 -1.08 0.00 0.00 178.44 179.68 1nd1 h ASN 27 N 0.83 -0.30 -0.24 -0.43 -0.26 -1.97 0.11 115.58 113.33 1nd1 h ASN 27 Ca 0.17 0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 56.03 1nd1 h ASN 27 Cb 0.38 0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.87 1nd1 h ASN 27 CO 0.01 -0.11 0.12 0.74 -1.06 0.00 0.00 177.43 177.13 1nd1 h THR 28 N 0.07 1.14 -0.48 2.81 2.02 -1.91 -1.22 112.91 115.34 1nd1 h THR 28 Ca 0.24 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1nd1 h THR 28 Cb 0.36 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1nd1 h THR 28 CO -0.44 0.13 0.31 0.40 0.37 0.00 0.00 175.52 176.29 1nd1 h ILE 29 N 0.25 1.10 -0.51 3.11 2.04 -1.28 -0.09 117.51 122.14 1nd1 h ILE 29 Ca 0.08 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1nd1 h ILE 29 Cb 0.11 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1nd1 h ILE 29 CO -0.01 0.11 -0.01 -0.09 0.00 0.00 0.00 178.15 178.16 1nd1 h ARG 30 N 0.62 0.90 -0.57 2.37 2.43 -0.67 -1.70 114.38 117.78 1nd1 h ARG 30 Ca 0.18 -0.29 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 1nd1 h ARG 30 Cb -0.05 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1nd1 h ARG 30 CO -0.05 0.93 0.06 1.15 -1.51 0.00 0.00 179.97 180.56 1nd1 h THR 31 N 0.77 1.25 -0.36 0.20 2.02 -0.93 -0.89 112.91 114.97 1nd1 h THR 31 Ca 0.14 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 1nd1 h THR 31 Cb 0.53 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1nd1 h THR 31 CO 0.03 0.36 0.06 -0.09 0.37 0.00 0.00 175.52 176.25 1nd1 h ARG 32 N 0.87 0.60 -0.54 6.66 2.43 -0.77 -2.38 114.38 121.25 1nd1 h ARG 32 Ca 0.17 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1nd1 h ARG 32 Cb 0.42 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1nd1 h ARG 32 CO 0.01 0.67 0.14 0.28 -1.51 0.00 0.00 179.97 179.57 1nd1 h VAL 33 N 0.44 1.24 -0.82 0.20 2.07 -1.08 -2.15 116.25 116.16 1nd1 h VAL 33 Ca 0.11 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1nd1 h VAL 33 Cb 0.36 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1nd1 h VAL 33 CO 0.01 0.31 0.51 0.45 0.02 0.00 0.00 177.57 178.87 1nd1 h HIS 34 N 0.76 1.05 -0.44 1.57 3.86 -1.08 -0.54 115.15 120.34 1nd1 h HIS 34 Ca 0.17 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1nd1 h HIS 34 Cb 0.32 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1nd1 h HIS 34 CO 0.02 0.69 0.19 0.93 0.86 0.00 0.00 177.93 180.61 1nd1 h GLU 35 N 1.11 0.65 -0.45 2.45 5.08 -1.24 -1.70 114.58 120.48 1nd1 h GLU 35 Ca 0.30 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1nd1 h GLU 35 Cb -0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1nd1 h GLU 35 CO -0.06 0.58 0.14 0.52 -1.00 0.00 0.00 179.01 179.20 1nd1 h MET 36 N 0.56 0.70 -1.00 2.33 2.86 -1.03 -2.07 114.93 117.28 1nd1 h MET 36 Ca 0.15 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1nd1 h MET 36 Cb 0.17 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 1nd1 h MET 36 CO -0.01 0.67 0.66 -0.07 1.06 0.00 0.00 176.91 179.22 1nd1 h LEU 37 N 0.59 1.15 -0.94 1.22 -0.00 -0.97 0.10 115.31 116.45 1nd1 h LEU 37 Ca 0.15 -0.03 -0.08 0.00 -0.00 0.00 0.00 57.88 57.92 1nd1 h LEU 37 Cb 0.26 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.62 1nd1 h LEU 37 CO -0.00 0.83 -0.06 0.78 -0.00 0.00 0.00 178.44 179.98 1nd1 h ASN 38 N 1.35 0.68 -0.31 -0.43 2.35 -1.04 0.01 115.58 118.20 1nd1 h ASN 38 Ca 0.37 -0.18 -0.15 0.00 -0.55 0.00 0.00 56.30 55.80 1nd1 h ASN 38 Cb -0.15 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.04 1nd1 h ASN 38 CO -0.08 0.79 -0.38 0.74 -1.65 0.00 0.00 177.43 176.85 1nd1 h THR 39 N 0.65 1.29 -0.42 2.81 2.02 -0.60 -2.24 112.91 116.42 1nd1 h THR 39 Ca 0.12 -1.56 -0.04 0.00 0.77 0.00 0.00 66.41 65.70 1nd1 h THR 39 Cb 0.50 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1nd1 h THR 39 CO 0.03 0.51 0.12 0.58 0.37 0.00 0.00 175.52 177.13 1nd1 h VAL 40 N 0.57 1.22 -0.01 3.16 2.07 -0.55 -1.68 116.25 121.02 1nd1 h VAL 40 Ca 0.04 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1nd1 h VAL 40 Cb 0.97 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1nd1 h VAL 40 CO 0.09 0.26 -0.08 0.78 0.02 0.00 0.00 177.57 178.64 1nd1 h ASN 41 N 0.53 0.01 -0.58 0.57 4.21 -0.95 -1.53 115.58 117.84 1nd1 h ASN 41 Ca 0.13 -0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.59 1nd1 h ASN 41 Cb 0.27 -0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 1nd1 h ASN 41 CO -0.00 0.10 0.17 1.23 -1.29 0.00 0.00 177.43 177.63 1nd1 h GLY 42 N 0.27 0.97 1.26 2.83 0.00 -0.70 -2.33 103.07 105.37 1nd1 h GLY 42 Ca 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.66 1nd1 h GLY 42 CO 0.01 0.55 -0.05 0.74 0.00 0.00 0.00 176.54 177.79 1nd1 h PHE 43 N 0.81 0.97 0.00 5.60 0.04 -0.63 -3.05 116.94 120.68 1nd1 h PHE 43 Ca 0.18 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1nd1 h PHE 43 Cb 0.30 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1nd1 h PHE 43 CO 0.02 0.90 0.00 0.66 -0.60 0.00 0.00 178.31 179.29 1nd1 n TYR 44 N -4.18 0.00 0.10 -0.55 4.01 -0.81 -3.39 117.16 112.35 1nd1 n TYR 44 Ca 0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.85 1nd1 n TYR 44 Cb 0.35 -0.33 0.55 0.00 -0.31 0.00 0.00 39.34 39.60 1nd1 n TYR 44 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1nd1 h ARG 45 N 0.00 0.24 -0.75 -0.72 2.43 -1.31 -1.70 114.38 112.56 1nd1 h ARG 45 Ca 0.00 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.26 1nd1 h ARG 45 Cb 0.32 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1nd1 h ARG 45 CO 0.00 0.16 0.50 0.77 -1.51 0.00 0.00 179.97 179.88 1nd1 h SER 46 N 0.24 0.58 -0.23 -3.80 0.02 -1.76 -2.19 113.55 106.40 1nd1 h SER 46 Ca 0.11 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1nd1 h SER 46 Cb 0.15 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1nd1 h SER 46 CO -0.02 0.34 -0.00 1.33 -1.14 0.00 0.00 176.83 177.34 1nd1 n VAL 47 N -4.50 2.25 -3.82 2.27 0.24 -0.68 -4.98 118.33 109.11 1nd1 n VAL 47 Ca 0.13 -1.99 -0.24 0.00 -2.04 0.00 0.00 64.34 60.19 1nd1 n VAL 47 Cb 0.35 -0.26 0.02 0.00 -1.47 0.00 0.00 33.84 32.48 1nd1 n VAL 47 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1nd1 n ASP 48 N -0.69 -1.63 -4.46 -1.34 -0.08 -0.83 -4.78 116.55 102.76 1nd1 n ASP 48 Ca 0.21 -0.87 -0.33 0.00 -1.51 0.00 0.00 54.79 52.29 1nd1 n ASP 48 Cb 0.87 -3.72 -0.13 0.00 2.34 0.00 0.00 41.12 40.47 1nd1 n ASP 48 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1nd1 s VAL 49 N -3.67 3.37 -0.19 5.18 1.01 -0.94 -2.01 120.40 123.14 1nd1 s VAL 49 Ca 0.14 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1nd1 s VAL 49 Cb -0.07 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1nd1 s VAL 49 CO 0.84 0.54 -0.07 -1.00 0.00 0.00 0.00 175.10 175.41 1nd1 s HIS 50 N -0.03 2.92 -0.69 5.22 3.76 -0.30 -4.34 115.29 121.83 1nd1 s HIS 50 Ca -0.02 -0.86 0.05 0.00 -0.15 0.00 0.00 55.06 54.09 1nd1 s HIS 50 Cb -0.14 -2.02 0.21 0.00 1.11 0.00 0.00 32.58 31.74 1nd1 s HIS 50 CO 0.03 -0.44 0.65 0.00 -0.85 0.00 0.00 174.74 174.13 1nd1 n ALA 51 N 4.39 3.80 -1.78 -1.40 0.00 -1.26 -0.57 120.51 123.69 1nd1 n ALA 51 Ca -0.18 -4.67 -0.36 0.00 0.00 0.00 0.00 53.44 48.23 1nd1 n ALA 51 Cb 0.51 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 1nd1 n ALA 51 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nd1 s PRO 52 N -2.01 3.69 -0.40 0.00 0.04 -1.21 -4.75 135.00 130.36 1nd1 s PRO 52 Ca 0.33 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 1nd1 s PRO 52 Cb 0.05 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1nd1 s PRO 52 CO -0.08 -0.58 1.16 -1.17 0.04 0.00 0.00 177.00 176.36 1nd1 s LEU 53 N -3.25 3.75 0.12 -3.56 2.96 -1.26 -0.86 118.68 116.58 1nd1 s LEU 53 Ca 0.66 0.77 0.11 0.00 -0.22 0.00 0.00 54.13 55.44 1nd1 s LEU 53 Cb -0.25 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 42.75 1nd1 s LEU 53 CO 0.30 -1.13 1.16 0.00 -1.32 0.00 0.00 176.35 175.36 1nd1 h ALA 54 N 8.99 0.53 -1.22 5.97 0.00 -0.33 -3.47 119.26 129.73 1nd1 h ALA 54 Ca -0.23 -0.91 0.21 0.00 0.00 0.00 0.00 54.91 53.99 1nd1 h ALA 54 Cb 1.07 0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.63 1nd1 h ALA 54 CO 1.08 1.14 0.85 1.21 0.00 0.00 0.00 179.25 183.54 1nd1 s ASN 55 N -6.45 -0.12 -0.13 0.00 3.04 -1.24 -5.01 114.94 105.03 1nd1 s ASN 55 Ca 0.00 0.11 0.01 0.00 0.04 0.00 0.00 52.86 53.02 1nd1 s ASN 55 Cb 0.09 0.10 0.02 0.00 -1.54 0.00 0.00 41.25 39.92 1nd1 s ASN 55 CO 0.80 -0.13 -0.14 -0.22 -3.04 0.00 0.00 177.10 174.38 1nd1 s LEU 56 N -1.25 1.66 -0.08 3.21 2.96 -1.26 -1.59 118.68 122.33 1nd1 s LEU 56 Ca 0.07 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 1nd1 s LEU 56 Cb -0.01 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 1nd1 s LEU 56 CO -0.05 -0.03 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.01 1nd1 s GLU 57 N 1.29 2.86 -0.14 1.98 2.12 -0.20 -5.01 118.70 121.60 1nd1 s GLU 57 Ca 0.00 -0.88 0.02 0.00 0.36 0.00 0.00 54.97 54.47 1nd1 s GLU 57 Cb -0.14 -2.26 0.01 0.00 0.26 0.00 0.00 34.13 32.00 1nd1 s GLU 57 CO -0.07 0.27 -0.21 0.08 -0.54 0.00 0.00 175.26 174.79 1nd1 s VAL 58 N 0.13 2.13 -1.33 3.70 1.01 -1.26 -0.30 120.40 124.47 1nd1 s VAL 58 Ca -0.12 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 1nd1 s VAL 58 Cb -0.16 -1.85 0.08 0.00 0.00 0.00 0.00 36.38 34.44 1nd1 s VAL 58 CO 0.07 0.55 1.84 0.79 0.00 0.00 0.00 175.10 178.34 1nd1 n TRP 59 N 4.04 4.35 0.17 5.22 8.01 -0.08 -4.73 117.44 134.42 1nd1 n TRP 59 Ca -0.20 -2.92 0.05 0.00 -1.31 0.00 0.00 57.50 53.12 1nd1 n TRP 59 Cb 0.52 -2.55 0.25 0.00 -2.01 0.00 0.00 31.31 27.52 1nd1 n TRP 59 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1nd1 h SER 60 N 7.06 0.00 0.06 -0.99 4.64 -1.89 -3.21 113.55 119.22 1nd1 h SER 60 Ca 0.46 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.56 1nd1 h SER 60 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1nd1 h SER 60 CO 1.55 0.41 -1.19 0.11 -0.87 0.00 0.00 176.83 176.85 1nd1 h LYS 61 N 0.00 0.12 -1.28 4.77 1.57 -1.99 -3.50 116.57 116.27 1nd1 h LYS 61 Ca -0.00 -0.21 0.29 0.00 -1.87 0.00 0.00 60.65 58.86 1nd1 h LYS 61 Cb 1.04 0.08 -0.19 0.00 0.08 0.00 0.00 32.23 33.24 1nd1 h LYS 61 CO 0.05 1.10 0.89 1.14 -0.57 0.00 0.00 179.45 182.07 1nd1 s GLN 62 N -2.40 0.18 0.34 3.15 -2.07 -1.25 -5.09 119.66 112.52 1nd1 s GLN 62 Ca -0.23 -0.07 -0.28 0.00 -1.82 0.00 0.00 55.36 52.96 1nd1 s GLN 62 Cb 0.04 0.08 -0.10 0.00 -1.09 0.00 0.00 33.01 31.94 1nd1 s GLN 62 CO 0.69 -0.08 1.25 -0.51 -1.32 0.00 0.00 175.29 175.32 1nd1 s ASP 63 N -2.15 6.77 0.00 12.60 1.01 -1.26 -4.80 116.67 128.83 1nd1 s ASP 63 Ca 0.11 2.56 0.27 0.00 0.71 0.00 0.00 52.55 56.20 1nd1 s ASP 63 Cb -0.01 -2.64 0.95 0.00 1.01 0.00 0.00 42.92 42.24 1nd1 s ASP 63 CO -0.04 -0.52 1.69 0.18 0.21 0.00 0.00 175.17 176.69 1nd1 n LEU 64 N 0.68 1.42 -3.99 1.23 4.77 -1.26 -4.86 117.00 114.99 1nd1 n LEU 64 Ca 0.01 -0.45 -0.09 0.00 -0.03 0.00 0.00 56.01 55.44 1nd1 n LEU 64 Cb 0.43 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.41 1nd1 n LEU 64 CO 0.56 0.24 -0.13 0.27 -1.33 0.00 0.00 177.39 177.01 1nd1 s ILE 65 N -2.13 0.11 -0.32 -0.08 -4.36 -1.26 -5.08 121.20 108.08 1nd1 s ILE 65 Ca 0.34 -1.49 -0.21 0.00 -0.26 0.00 0.00 60.65 59.03 1nd1 s ILE 65 Cb 0.21 -1.74 -0.00 0.00 1.25 0.00 0.00 42.46 42.17 1nd1 s ILE 65 CO 0.38 -0.48 0.69 -0.75 0.24 0.00 0.00 174.94 175.02 1nd1 s LYS 66 N -3.96 3.87 -0.50 0.37 2.20 -1.26 -5.00 119.74 115.46 1nd1 s LYS 66 Ca 0.15 0.34 -0.25 0.00 -0.36 0.00 0.00 55.97 55.85 1nd1 s LYS 66 Cb 0.05 -3.75 0.03 0.00 -1.51 0.00 0.00 37.83 32.65 1nd1 s LYS 66 CO -0.03 -0.66 0.92 0.08 -0.36 0.00 0.00 175.35 175.30 1nd1 s VAL 67 N 2.77 4.45 0.36 4.02 1.01 -1.26 -4.82 120.40 126.93 1nd1 s VAL 67 Ca 0.28 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.80 1nd1 s VAL 67 Cb -0.14 -4.47 -0.02 0.00 0.00 0.00 0.00 36.38 31.75 1nd1 s VAL 67 CO 0.13 -0.95 0.54 -1.10 0.00 0.00 0.00 175.10 173.72 1nd1 s GLN 68 N 3.80 3.23 0.52 2.72 -0.21 -1.26 -5.00 119.66 123.47 1nd1 s GLN 68 Ca 0.33 -0.64 0.31 0.00 0.02 0.00 0.00 55.36 55.39 1nd1 s GLN 68 Cb -0.11 -2.71 1.22 0.00 1.00 0.00 0.00 33.01 32.42 1nd1 s GLN 68 CO 0.23 0.02 1.93 0.87 -2.12 0.00 0.00 175.29 176.23 1nd1 h LYS 69 N 0.73 0.00 -6.12 2.91 1.79 -1.96 -3.40 116.57 110.52 1nd1 h LYS 69 Ca -0.48 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.40 1nd1 h LYS 69 Cb 1.24 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.79 1nd1 h LYS 69 CO 0.57 0.05 0.66 0.34 -1.08 0.00 0.00 179.45 179.99 1nd1 s ASP 70 N -5.83 6.43 0.35 0.86 -1.08 -1.26 0.51 116.67 116.64 1nd1 s ASP 70 Ca 0.01 -0.07 0.08 0.00 -0.52 0.00 0.00 52.55 52.05 1nd1 s ASP 70 Cb 0.09 -2.47 0.78 0.00 -1.46 0.00 0.00 42.92 39.87 1nd1 s ASP 70 CO 0.57 -1.21 1.88 0.77 0.52 0.00 0.00 175.17 177.70 1nd1 h SER 71 N 9.27 0.68 -0.09 -0.34 4.64 -1.89 -2.36 113.55 123.46 1nd1 h SER 71 Ca -0.25 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1nd1 h SER 71 Cb 1.07 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1nd1 h SER 71 CO 1.08 0.36 0.04 0.28 -0.87 0.00 0.00 176.83 177.73 1nd1 h SER 72 N 0.73 0.06 -0.41 4.97 0.02 -1.94 -0.06 113.55 116.92 1nd1 h SER 72 Ca 0.44 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.35 1nd1 h SER 72 Cb 0.64 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1nd1 h SER 72 CO -0.20 0.05 0.11 0.11 -1.14 0.00 0.00 176.83 175.77 1nd1 h LYS 73 N 0.09 0.66 -0.54 3.45 1.57 -1.85 -2.15 116.57 117.80 1nd1 h LYS 73 Ca 0.04 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1nd1 h LYS 73 Cb 0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1nd1 h LYS 73 CO -0.03 0.66 0.33 1.15 -0.57 0.00 0.00 179.45 181.00 1nd1 h THR 74 N 0.53 1.16 -0.69 -0.16 2.02 -1.29 -1.10 112.91 113.38 1nd1 h THR 74 Ca 0.13 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 66.99 1nd1 h THR 74 Cb 0.29 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 1nd1 h THR 74 CO -0.00 0.16 0.42 0.25 0.37 0.00 0.00 175.52 176.73 1nd1 h LEU 75 N 0.73 0.68 -0.31 2.58 5.85 -0.87 0.28 115.31 124.25 1nd1 h LEU 75 Ca 0.20 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1nd1 h LEU 75 Cb -0.02 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1nd1 h LEU 75 CO -0.04 0.46 0.09 0.50 -0.34 0.00 0.00 178.44 179.12 1nd1 h LYS 76 N 0.82 0.49 -0.67 1.25 3.64 -0.86 -1.63 116.57 119.60 1nd1 h LYS 76 Ca 0.28 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1nd1 h LYS 76 Cb 0.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1nd1 h LYS 76 CO -0.12 0.55 0.15 0.77 -2.27 0.00 0.00 179.45 178.52 1nd1 h SER 77 N 0.34 1.03 -0.54 4.20 0.02 -0.84 -2.37 113.55 115.39 1nd1 h SER 77 Ca 0.10 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1nd1 h SER 77 Cb 0.27 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1nd1 h SER 77 CO -0.00 1.00 0.20 0.15 -1.14 0.00 0.00 176.83 177.04 1nd1 h PHE 78 N 1.01 0.85 -0.98 3.45 3.57 -0.78 -1.51 116.94 122.55 1nd1 h PHE 78 Ca 0.21 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1nd1 h PHE 78 Cb 0.39 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1nd1 h PHE 78 CO 0.03 0.70 0.64 0.78 -2.23 0.00 0.00 178.31 178.24 1nd1 h GLY 79 N 0.74 1.40 0.79 2.40 0.00 -1.09 0.21 103.07 107.52 1nd1 h GLY 79 Ca 0.18 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1nd1 h GLY 79 CO -0.01 0.46 -0.02 0.83 0.00 0.00 0.00 176.54 177.80 1nd1 h GLU 80 N 1.28 0.33 -0.67 4.80 5.08 -1.09 -2.36 114.58 121.95 1nd1 h GLU 80 Ca 0.37 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1nd1 h GLU 80 Cb -0.08 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1nd1 h GLU 80 CO -0.10 0.57 0.31 2.35 -1.00 0.00 0.00 179.01 181.14 1nd1 h TRP 81 N 0.05 0.97 -0.79 4.33 7.01 -1.03 -1.69 115.95 124.81 1nd1 h TRP 81 Ca 0.05 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.01 1nd1 h TRP 81 Cb 0.44 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 1nd1 h TRP 81 CO 0.04 0.73 0.52 -0.09 -2.79 0.00 0.00 178.44 176.85 1nd1 h ARG 82 N 0.93 1.02 -0.20 2.65 1.12 -0.88 1.10 114.38 120.11 1nd1 h ARG 82 Ca 0.23 -0.06 -0.16 0.00 -1.11 0.00 0.00 59.98 58.88 1nd1 h ARG 82 Cb 0.13 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 29.86 1nd1 h ARG 82 CO -0.03 0.67 -0.52 1.49 -3.11 0.00 0.00 179.97 178.47 1nd1 h GLU 83 N 1.05 0.58 0.15 0.20 4.81 -1.20 0.20 114.58 120.37 1nd1 h GLU 83 Ca 0.29 -0.35 -0.36 0.00 -0.13 0.00 0.00 59.36 58.81 1nd1 h GLU 83 Cb -0.09 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1nd1 h GLU 83 CO -0.07 0.96 -1.88 -0.09 -0.73 0.00 0.00 179.01 177.20 1nd1 h ARG 84 N 0.45 0.33 0.00 1.92 2.43 -0.86 -3.40 114.38 115.24 1nd1 h ARG 84 Ca 0.01 -0.56 -0.04 0.00 -0.81 0.00 0.00 59.98 58.59 1nd1 h ARG 84 Cb 1.06 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1nd1 h ARG 84 CO 0.10 1.26 -1.13 -3.47 -1.51 0.00 0.00 179.97 175.22 1nd1 n ASP 85 N -3.53 1.94 0.22 -3.80 -0.08 0.38 -4.65 116.55 107.02 1nd1 n ASP 85 Ca -0.28 0.33 -0.14 0.00 -1.51 0.00 0.00 54.79 53.19 1nd1 n ASP 85 Cb 1.06 -0.75 -0.08 0.00 2.34 0.00 0.00 41.12 43.70 1nd1 n ASP 85 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1nd1 h LEU 86 N -1.00 -0.48 -0.51 -2.67 5.85 -1.41 -3.23 115.31 111.86 1nd1 h LEU 86 Ca -0.06 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.65 1nd1 h LEU 86 Cb 1.05 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.10 1nd1 h LEU 86 CO -0.04 -0.13 -0.28 0.25 -0.34 0.00 0.00 178.44 177.91 1nd1 h LEU 87 N -0.87 -0.95 -1.55 2.25 5.85 -0.76 0.24 115.31 119.52 1nd1 h LEU 87 Ca -0.06 0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.96 1nd1 h LEU 87 Cb 0.56 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1nd1 h LEU 87 CO 0.10 -0.28 0.43 -0.65 -0.34 0.00 0.00 178.44 177.70 1nd1 h PRO 88 N -0.15 0.49 0.00 5.25 0.11 -1.78 -2.98 132.00 132.94 1nd1 h PRO 88 Ca 0.23 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 1nd1 h PRO 88 Cb 0.52 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1nd1 h PRO 88 CO -0.60 0.33 -0.00 0.00 -0.21 0.00 0.00 178.00 177.51 1nd1 h ARG 89 N 0.51 -0.01 -4.40 1.05 3.08 -1.03 -3.45 114.38 110.14 1nd1 h ARG 89 Ca 0.30 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.86 1nd1 h ARG 89 Cb 0.50 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.21 1nd1 h ARG 89 CO -0.09 0.83 -0.80 0.42 -1.07 0.00 0.00 179.97 179.25 1nd1 s ILE 90 N -2.75 0.98 0.06 2.04 1.01 -0.39 -5.11 121.20 117.04 1nd1 s ILE 90 Ca -0.18 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1nd1 s ILE 90 Cb -0.02 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 1nd1 s ILE 90 CO 0.67 0.33 1.03 -0.94 0.00 0.00 0.00 174.94 176.03 1nd1 s SER 91 N 0.81 7.33 0.19 3.58 1.04 -1.25 -4.17 113.70 121.23 1nd1 s SER 91 Ca -0.12 1.81 -0.22 0.00 0.48 0.00 0.00 55.95 57.89 1nd1 s SER 91 Cb -0.15 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.45 1nd1 s SER 91 CO 0.02 -0.26 0.62 -1.38 0.98 0.00 0.00 173.24 173.23 1nd1 s HIS 92 N 0.66 -0.45 -0.10 5.02 -0.00 -1.26 -5.04 115.29 114.12 1nd1 s HIS 92 Ca 0.52 0.18 0.15 0.00 -0.00 0.00 0.00 55.06 55.91 1nd1 s HIS 92 Cb -0.24 0.59 -0.22 0.00 -0.00 0.00 0.00 32.58 32.70 1nd1 s HIS 92 CO 0.29 -0.94 0.50 -0.25 -0.00 0.00 0.00 174.74 174.35 1nd1 n ASP 93 N -0.39 0.57 -3.72 7.38 8.00 -0.26 -4.99 116.55 123.14 1nd1 n ASP 93 Ca -0.14 0.27 -0.14 0.00 0.71 0.00 0.00 54.79 55.49 1nd1 n ASP 93 Cb 0.64 0.38 -0.09 0.00 -0.02 0.00 0.00 41.12 42.03 1nd1 n ASP 93 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1nd1 s HIS 94 N -2.66 -0.41 -0.01 1.24 2.46 -1.07 -4.04 115.29 110.79 1nd1 s HIS 94 Ca -0.06 0.93 0.04 0.00 0.47 0.00 0.00 55.06 56.44 1nd1 s HIS 94 Cb 0.08 0.16 -0.01 0.00 -0.13 0.00 0.00 32.58 32.68 1nd1 s HIS 94 CO 0.83 -0.30 -0.14 0.00 -2.47 0.00 0.00 174.74 172.66 1nd1 s ALA 95 N -0.27 1.18 -0.04 1.58 0.00 -0.84 -1.16 121.76 122.22 1nd1 s ALA 95 Ca -0.04 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.37 1nd1 s ALA 95 Cb -0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 1nd1 s ALA 95 CO 0.02 0.28 -0.17 -0.65 0.00 0.00 0.00 175.76 175.24 1nd1 s GLN 96 N -0.27 1.71 -0.25 0.00 -0.21 -0.65 -1.82 119.66 118.18 1nd1 s GLN 96 Ca 0.04 -0.60 -0.14 0.00 0.02 0.00 0.00 55.36 54.69 1nd1 s GLN 96 Cb -0.06 -1.51 -0.04 0.00 1.00 0.00 0.00 33.01 32.40 1nd1 s GLN 96 CO -0.00 0.25 0.31 -1.17 -2.12 0.00 0.00 175.29 172.56 1nd1 s LEU 97 N -0.00 4.08 -0.27 2.90 2.96 -0.55 -1.11 118.68 126.69 1nd1 s LEU 97 Ca -0.03 0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 54.03 1nd1 s LEU 97 Cb -0.11 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1nd1 s LEU 97 CO 0.02 -0.09 0.22 -0.22 -1.32 0.00 0.00 176.35 174.95 1nd1 s LEU 98 N 1.66 4.05 0.10 -0.68 0.20 0.85 0.29 118.68 125.14 1nd1 s LEU 98 Ca 0.13 0.08 0.04 0.00 0.69 0.00 0.00 54.13 55.08 1nd1 s LEU 98 Cb -0.15 -2.17 -0.04 0.00 -0.43 0.00 0.00 46.19 43.40 1nd1 s LEU 98 CO 0.09 -0.04 -0.11 0.28 -0.29 0.00 0.00 176.35 176.28 1nd1 s THR 99 N 1.60 0.99 -1.45 3.68 -1.32 -0.44 -2.07 115.64 116.63 1nd1 s THR 99 Ca 0.09 -1.60 0.23 0.00 -1.21 0.00 0.00 61.69 59.19 1nd1 s THR 99 Cb -0.15 -1.33 -0.05 0.00 -1.51 0.00 0.00 72.50 69.46 1nd1 s THR 99 CO 0.09 -0.51 1.14 0.00 -2.21 0.00 0.00 174.62 173.13 1nd1 n ALA 100 N 0.64 3.94 -1.80 11.08 0.00 -1.26 -1.18 120.51 131.93 1nd1 n ALA 100 Ca -0.17 -0.55 -0.41 0.00 0.00 0.00 0.00 53.44 52.32 1nd1 n ALA 100 Cb 0.57 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 1nd1 n ALA 100 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nd1 s VAL 101 N -2.76 2.41 -0.45 0.00 1.01 -1.26 -4.92 120.40 114.43 1nd1 s VAL 101 Ca 0.14 0.39 -0.23 0.00 0.00 0.00 0.00 61.98 62.28 1nd1 s VAL 101 Cb 0.17 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1nd1 s VAL 101 CO 0.70 0.08 0.77 -0.69 0.00 0.00 0.00 175.10 175.96 1nd1 s VAL 102 N -0.75 4.66 0.67 2.92 1.01 -1.26 -4.90 120.40 122.75 1nd1 s VAL 102 Ca 0.54 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.76 1nd1 s VAL 102 Cb -0.43 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1nd1 s VAL 102 CO 0.54 -0.72 1.09 -0.36 0.00 0.00 0.00 175.10 175.65 1nd1 s PHE 103 N 3.25 2.72 0.87 5.22 0.08 -1.26 -4.73 117.98 124.12 1nd1 s PHE 103 Ca 0.29 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.76 1nd1 s PHE 103 Cb -0.12 -3.10 0.11 0.00 -0.57 0.00 0.00 43.02 39.34 1nd1 s PHE 103 CO 0.22 -1.56 1.09 -0.51 -0.10 0.00 0.00 175.22 174.36 1nd1 s ASP 104 N -2.83 3.72 -1.55 1.36 1.01 0.18 -4.06 116.67 114.50 1nd1 s ASP 104 Ca 0.65 1.57 -0.12 0.00 0.71 0.00 0.00 52.55 55.35 1nd1 s ASP 104 Cb -0.19 -2.25 0.09 0.00 1.01 0.00 0.00 42.92 41.58 1nd1 s ASP 104 CO 0.44 -2.50 0.81 0.61 0.21 0.00 0.00 175.17 174.74 1nd1 n GLY 105 N -1.15 -0.42 2.32 0.21 0.00 -1.26 -2.62 105.19 102.27 1nd1 n GLY 105 Ca 0.07 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 1nd1 n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nd1 n ASN 106 N -2.82 -3.37 -4.71 1.61 3.02 -1.26 -4.93 115.26 102.81 1nd1 n ASN 106 Ca -0.03 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 1nd1 n ASN 106 Cb 0.55 -2.95 -0.03 0.00 -0.61 0.00 0.00 39.78 36.74 1nd1 n ASN 106 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nd1 s THR 107 N -2.40 4.89 -0.50 3.41 2.01 -1.08 -4.92 115.64 117.06 1nd1 s THR 107 Ca 0.00 1.92 0.04 0.00 0.31 0.00 0.00 61.69 63.96 1nd1 s THR 107 Cb 0.00 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.28 1nd1 s THR 107 CO 0.00 0.15 0.58 2.30 -0.69 0.00 0.00 174.62 176.96 1nd1 n ILE 108 N 4.01 0.00 -3.55 1.82 -5.35 -1.26 -4.28 119.36 110.74 1nd1 n ILE 108 Ca 0.05 -0.49 -0.11 0.00 -0.27 0.00 0.00 62.75 61.93 1nd1 n ILE 108 Cb 0.51 1.08 -0.04 0.00 -1.74 0.00 0.00 39.64 39.44 1nd1 n ILE 108 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1nd1 s GLY 109 N -0.49 -0.34 -0.18 3.28 0.00 -1.26 -1.15 107.32 107.18 1nd1 s GLY 109 Ca 0.05 1.71 -0.28 0.00 0.00 0.00 0.00 44.72 46.20 1nd1 s GLY 109 CO 0.07 0.85 0.79 -1.60 0.00 0.00 0.00 173.10 173.21 1nd1 s ARG 110 N -1.61 0.84 0.17 2.90 3.52 -0.64 -5.01 118.95 119.12 1nd1 s ARG 110 Ca -0.01 0.55 -0.23 0.00 -0.13 0.00 0.00 55.73 55.91 1nd1 s ARG 110 Cb -0.01 0.40 0.06 0.00 -1.56 0.00 0.00 34.95 33.85 1nd1 s ARG 110 CO -0.00 -0.19 0.62 0.00 -0.81 0.00 0.00 175.30 174.92 1nd1 s ALA 111 N -0.43 -1.55 0.11 6.12 0.00 -1.26 -0.81 121.76 123.94 1nd1 s ALA 111 Ca -0.04 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1nd1 s ALA 111 Cb -0.03 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 23.91 1nd1 s ALA 111 CO 0.03 -0.81 1.06 0.71 0.00 0.00 0.00 175.76 176.75 1nd1 s TYR 112 N -3.76 3.65 -0.07 0.00 2.02 -1.24 -4.89 117.35 113.06 1nd1 s TYR 112 Ca 0.02 1.63 -0.30 0.00 -0.37 0.00 0.00 57.07 58.05 1nd1 s TYR 112 Cb -0.02 -3.21 -0.04 0.00 -0.40 0.00 0.00 41.96 38.30 1nd1 s TYR 112 CO -0.10 -0.38 1.35 0.99 -1.57 0.00 0.00 175.55 175.83 1nd1 s THR 113 N 0.22 3.99 -1.92 -0.71 2.01 -1.26 -3.44 115.64 114.53 1nd1 s THR 113 Ca 0.51 1.29 0.00 0.00 0.31 0.00 0.00 61.69 63.79 1nd1 s THR 113 Cb -0.26 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.42 1nd1 s THR 113 CO 0.31 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 1nd1 n GLY 114 N 3.64 1.25 0.47 4.40 0.00 0.06 -4.87 105.19 110.15 1nd1 n GLY 114 Ca 0.13 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1nd1 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nd1 n GLY 115 N -0.73 0.17 3.63 -0.02 0.00 -1.10 -4.84 105.19 102.31 1nd1 n GLY 115 Ca -0.20 -0.31 -0.49 0.00 0.00 0.00 0.00 46.02 45.03 1nd1 n GLY 115 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nd1 n MET 116 N 0.22 1.71 0.00 1.61 1.56 -1.05 -1.69 117.12 119.47 1nd1 n MET 116 Ca 0.11 0.61 0.00 0.00 -0.27 0.00 0.00 57.70 58.15 1nd1 n MET 116 Cb 0.24 -2.32 0.00 0.00 2.15 0.00 0.00 33.22 33.29 1nd1 n MET 116 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1nd1 s ASP 118 N -2.70 6.81 0.55 0.00 2.15 -0.68 -4.88 116.67 117.91 1nd1 s ASP 118 Ca 0.00 2.60 0.24 0.00 0.43 0.00 0.00 52.55 55.83 1nd1 s ASP 118 Cb 0.00 -2.64 1.47 0.00 -0.30 0.00 0.00 42.92 41.45 1nd1 s ASP 118 CO 0.00 -0.54 2.07 -0.65 -0.17 0.00 0.00 175.17 175.88 1nd1 h PRO 119 N 4.11 0.00 0.00 4.34 0.11 -1.96 -2.36 132.00 136.25 1nd1 h PRO 119 Ca -0.47 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1nd1 h PRO 119 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1nd1 h PRO 119 CO 0.70 0.00 -1.45 -2.13 -0.21 0.00 0.00 178.00 174.91 1nd1 n ARG 120 N -4.19 2.12 -0.04 1.05 0.63 -1.26 -3.89 116.66 111.07 1nd1 n ARG 120 Ca 0.04 -0.02 0.12 0.00 -0.92 0.00 0.00 57.85 57.07 1nd1 n ARG 120 Cb 0.38 -1.18 0.21 0.00 0.45 0.00 0.00 32.46 32.31 1nd1 n ARG 120 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1nd1 n HIS 121 N -2.12 0.10 -1.73 -0.14 8.25 -1.21 -4.51 115.22 113.86 1nd1 n HIS 121 Ca -0.09 -0.05 -0.39 0.00 -0.26 0.00 0.00 57.72 56.94 1nd1 n HIS 121 Cb 0.58 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.67 1nd1 n HIS 121 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1nd1 n SER 122 N 1.13 8.17 -4.08 0.41 2.88 -0.89 -4.42 113.62 116.82 1nd1 n SER 122 Ca 0.16 -2.95 -0.10 0.00 -1.33 0.00 0.00 58.87 54.65 1nd1 n SER 122 Cb 0.55 -1.42 -0.08 0.00 -0.75 0.00 0.00 64.21 62.50 1nd1 n SER 122 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1nd1 s VAL 123 N -0.10 0.05 0.14 2.46 -7.23 -1.26 -1.98 120.40 112.48 1nd1 s VAL 123 Ca 0.60 -1.68 -0.20 0.00 -1.81 0.00 0.00 61.98 58.89 1nd1 s VAL 123 Cb 0.19 -2.09 0.05 0.00 0.56 0.00 0.00 36.38 35.09 1nd1 s VAL 123 CO -0.09 -0.24 0.50 -0.83 -0.31 0.00 0.00 175.10 174.13 1nd1 s GLY 124 N -3.04 -0.44 -0.05 2.32 0.00 -0.75 -3.59 107.32 101.76 1nd1 s GLY 124 Ca 0.25 0.24 0.04 0.00 0.00 0.00 0.00 44.72 45.25 1nd1 s GLY 124 CO 0.04 -0.05 -0.18 -1.34 0.00 0.00 0.00 173.10 171.57 1nd1 s VAL 125 N -3.69 1.48 -0.02 1.40 -7.23 0.01 -1.48 120.40 110.87 1nd1 s VAL 125 Ca 0.02 -0.74 0.05 0.00 -1.81 0.00 0.00 61.98 59.50 1nd1 s VAL 125 Cb 0.00 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 1nd1 s VAL 125 CO -0.12 0.43 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.24 1nd1 s VAL 126 N 0.09 1.32 -0.07 1.32 1.01 0.14 -1.62 120.40 122.59 1nd1 s VAL 126 Ca -0.05 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 1nd1 s VAL 126 Cb -0.12 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 1nd1 s VAL 126 CO 0.03 0.38 0.46 -0.60 0.00 0.00 0.00 175.10 175.36 1nd1 s ARG 127 N -0.26 4.22 -1.44 2.72 3.52 -0.30 -1.32 118.95 126.08 1nd1 s ARG 127 Ca 0.03 0.45 -0.14 0.00 -0.13 0.00 0.00 55.73 55.94 1nd1 s ARG 127 Cb -0.08 -3.36 0.04 0.00 -1.56 0.00 0.00 34.95 29.99 1nd1 s ARG 127 CO 0.00 0.34 2.18 -3.47 -0.81 0.00 0.00 175.30 173.54 1nd1 n ASP 128 N 3.02 3.98 0.17 -2.12 2.03 -0.33 -4.71 116.55 118.59 1nd1 n ASP 128 Ca -0.09 -2.85 0.13 0.00 0.52 0.00 0.00 54.79 52.50 1nd1 n ASP 128 Cb 0.52 -1.67 0.40 0.00 -0.72 0.00 0.00 41.12 39.65 1nd1 n ASP 128 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1nd1 h HIS 129 N 6.14 0.00 -3.91 -0.67 2.07 -1.91 -3.46 115.15 113.41 1nd1 h HIS 129 Ca 0.56 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.80 1nd1 h HIS 129 Cb 0.66 0.00 -0.20 0.00 2.57 0.00 0.00 27.41 30.45 1nd1 h HIS 129 CO 1.45 0.00 -0.73 -1.12 -3.07 0.00 0.00 177.93 174.46 1nd1 s SER 130 N -5.14 1.04 0.13 3.10 0.01 -1.26 -5.05 113.70 106.53 1nd1 s SER 130 Ca 0.07 -0.67 -0.12 0.00 1.31 0.00 0.00 55.95 56.53 1nd1 s SER 130 Cb 0.09 0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.31 1nd1 s SER 130 CO 0.57 -0.25 1.46 0.11 0.41 0.00 0.00 173.24 175.54 1nd1 h LYS 131 N 4.07 0.86 -6.53 12.44 1.57 -2.03 -3.40 116.57 123.56 1nd1 h LYS 131 Ca -0.36 -0.44 -0.57 0.00 -1.87 0.00 0.00 60.65 57.41 1nd1 h LYS 131 Cb 1.19 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 1nd1 h LYS 131 CO 0.47 1.08 1.04 1.21 -0.57 0.00 0.00 179.45 182.68 1nd1 s ASN 132 N -6.71 6.41 0.02 0.86 3.04 -1.26 -4.88 114.94 112.42 1nd1 s ASN 132 Ca -0.12 0.84 0.09 0.00 0.04 0.00 0.00 52.86 53.71 1nd1 s ASN 132 Cb 0.10 -2.54 0.38 0.00 -1.54 0.00 0.00 41.25 37.65 1nd1 s ASN 132 CO 0.86 -1.37 1.27 -0.46 -3.04 0.00 0.00 177.10 174.36 1nd1 n ASN 133 N 8.58 0.05 -0.28 -4.21 0.23 -1.26 -2.56 115.26 115.80 1nd1 n ASN 133 Ca 0.16 0.52 -0.05 0.00 -0.53 0.00 0.00 54.58 54.68 1nd1 n ASN 133 Cb 0.48 -0.53 0.07 0.00 -2.08 0.00 0.00 39.78 37.72 1nd1 n ASN 133 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1nd1 h LEU 134 N 0.00 0.95 -0.79 -4.53 5.85 -1.94 0.15 115.31 115.00 1nd1 h LEU 134 Ca 0.00 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1nd1 h LEU 134 Cb 0.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1nd1 h LEU 134 CO 0.00 0.75 -0.38 -0.50 -0.34 0.00 0.00 178.44 177.97 1nd1 h TRP 135 N 1.07 0.00 0.03 1.25 6.55 -1.88 -1.83 115.95 121.14 1nd1 h TRP 135 Ca 0.28 0.00 -0.22 0.00 0.95 0.00 0.00 58.89 59.90 1nd1 h TRP 135 Cb -0.01 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.27 1nd1 h TRP 135 CO -0.00 0.38 -1.01 0.28 -1.05 0.00 0.00 178.44 177.04 1nd1 h VAL 136 N 0.00 1.61 -0.38 1.49 2.07 -1.58 -3.09 116.25 116.38 1nd1 h VAL 136 Ca -0.00 -3.12 -0.08 0.00 0.82 0.00 0.00 66.70 64.32 1nd1 h VAL 136 Cb 0.97 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.48 1nd1 h VAL 136 CO 0.05 0.90 -0.08 0.00 0.02 0.00 0.00 177.57 178.46 1nd1 h ALA 137 N 0.93 1.16 -0.71 1.67 0.00 -0.57 -2.04 119.26 119.69 1nd1 h ALA 137 Ca -0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1nd1 h ALA 137 Cb 1.72 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1nd1 h ALA 137 CO 0.14 0.54 0.20 0.28 0.00 0.00 0.00 179.25 180.41 1nd1 h VAL 138 N 0.60 1.26 -0.55 0.00 2.07 -1.30 -1.57 116.25 116.76 1nd1 h VAL 138 Ca 0.11 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 1nd1 h VAL 138 Cb 0.49 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1nd1 h VAL 138 CO 0.03 0.36 -0.06 0.74 0.02 0.00 0.00 177.57 178.66 1nd1 h THR 139 N 1.07 1.26 -0.57 2.57 2.02 -1.38 -0.28 112.91 117.60 1nd1 h THR 139 Ca 0.23 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 1nd1 h THR 139 Cb 0.33 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1nd1 h THR 139 CO -0.00 0.42 0.35 0.24 0.37 0.00 0.00 175.52 176.90 1nd1 h MET 140 N 0.89 0.76 -0.16 6.66 2.86 -1.05 0.17 114.93 125.06 1nd1 h MET 140 Ca 0.15 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 1nd1 h MET 140 Cb 0.60 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1nd1 h MET 140 CO 0.04 0.54 -0.27 0.00 1.06 0.00 0.00 176.91 178.28 1nd1 h ALA 141 N 1.18 1.25 -0.13 6.32 0.00 -0.97 -1.70 119.26 125.21 1nd1 h ALA 141 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1nd1 h ALA 141 Cb -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1nd1 h ALA 141 CO -0.04 0.50 -0.21 1.25 0.00 0.00 0.00 179.25 180.75 1nd1 h HIS 142 N 0.27 0.47 -0.05 0.00 6.17 -0.49 -1.19 115.15 120.33 1nd1 h HIS 142 Ca 0.04 -0.16 -0.15 0.00 0.71 0.00 0.00 60.37 60.81 1nd1 h HIS 142 Cb 0.62 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.44 1nd1 h HIS 142 CO 0.01 0.83 -0.63 0.93 0.71 0.00 0.00 177.93 179.78 1nd1 h GLU 143 N -0.02 0.19 -0.50 5.26 4.39 -0.93 -2.18 114.58 120.79 1nd1 h GLU 143 Ca 0.01 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 1nd1 h GLU 143 Cb 0.78 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1nd1 h GLU 143 CO 0.05 0.75 0.03 1.25 -1.16 0.00 0.00 179.01 179.93 1nd1 h LEU 144 N 0.14 0.79 -0.20 1.33 5.85 -1.30 -2.38 115.31 119.53 1nd1 h LEU 144 Ca -0.01 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1nd1 h LEU 144 Cb 1.13 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1nd1 h LEU 144 CO 0.09 0.84 0.12 1.23 -0.34 0.00 0.00 178.44 180.38 1nd1 h GLY 145 N 0.98 0.28 0.93 3.75 0.00 -0.67 -1.40 103.07 106.94 1nd1 h GLY 145 Ca 0.15 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.43 1nd1 h GLY 145 CO 0.02 0.09 0.64 0.45 0.00 0.00 0.00 176.54 177.73 1nd1 h HIS 146 N 0.25 1.19 0.00 5.60 3.86 -1.19 0.33 115.15 125.19 1nd1 h HIS 146 Ca 0.08 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1nd1 h HIS 146 Cb -0.01 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.06 1nd1 h HIS 146 CO -0.08 0.69 -0.12 -0.97 0.86 0.00 0.00 177.93 178.32 1nd1 h ASN 147 N 1.24 0.00 -0.44 2.45 -0.00 -0.86 0.64 115.58 118.60 1nd1 h ASN 147 Ca 0.38 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.62 1nd1 h ASN 147 Cb -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 38.27 1nd1 h ASN 147 CO -0.12 0.12 0.08 0.18 -0.00 0.00 0.00 177.43 177.69 1nd1 n LEU 148 N -3.57 4.48 -0.73 0.34 4.77 0.01 -2.54 117.00 119.75 1nd1 n LEU 148 Ca -0.02 -2.29 -0.09 0.00 -0.03 0.00 0.00 56.01 53.58 1nd1 n LEU 148 Cb 0.25 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 1nd1 n LEU 148 CO 0.30 0.57 -0.09 0.61 -1.33 0.00 0.00 177.39 177.45 1nd1 n GLY 149 N 0.23 1.09 3.74 -0.72 0.00 -0.28 -4.74 105.19 104.52 1nd1 n GLY 149 Ca 0.23 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 1nd1 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nd1 s ILE 150 N -2.35 5.30 0.51 -0.61 -1.09 -0.60 -4.77 121.20 117.58 1nd1 s ILE 150 Ca 0.00 0.55 0.09 0.00 -2.23 0.00 0.00 60.65 59.06 1nd1 s ILE 150 Cb 0.00 -3.62 0.05 0.00 -1.58 0.00 0.00 42.46 37.31 1nd1 s ILE 150 CO 0.00 0.42 0.67 -1.81 -1.23 0.00 0.00 174.94 172.99 1nd1 s ASP 151 N 0.27 5.31 0.41 3.58 1.11 -1.26 -3.79 116.67 122.30 1nd1 s ASP 151 Ca 0.17 -0.68 -0.26 0.00 0.18 0.00 0.00 52.55 51.95 1nd1 s ASP 151 Cb -0.13 -0.12 -0.09 0.00 1.07 0.00 0.00 42.92 43.65 1nd1 s ASP 151 CO 0.04 -1.07 1.38 -1.00 1.18 0.00 0.00 175.17 175.70 1nd1 s HIS 152 N -2.53 2.69 0.55 4.23 3.76 -1.26 -4.89 115.29 117.83 1nd1 s HIS 152 Ca 0.58 1.32 -0.22 0.00 -0.15 0.00 0.00 55.06 56.59 1nd1 s HIS 152 Cb -0.07 -3.81 -0.05 0.00 1.11 0.00 0.00 32.58 29.76 1nd1 s HIS 152 CO 0.36 -2.50 1.35 -0.51 -0.85 0.00 0.00 174.74 172.59 1nd1 s ASP 153 N -0.53 5.28 0.19 1.40 1.01 0.07 -4.97 116.67 119.11 1nd1 s ASP 153 Ca 0.57 2.74 0.11 0.00 0.71 0.00 0.00 52.55 56.68 1nd1 s ASP 153 Cb -0.42 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 40.84 1nd1 s ASP 153 CO 0.54 -1.56 -0.21 0.42 0.21 0.00 0.00 175.17 174.57 1nd1 s THR 154 N -1.32 2.53 0.05 -1.27 -4.23 -1.26 -4.62 115.64 105.52 1nd1 s THR 154 Ca 0.72 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1nd1 s THR 154 Cb -0.40 -2.22 0.08 0.00 1.34 0.00 0.00 72.50 71.30 1nd1 s THR 154 CO 0.47 -0.11 0.29 0.61 -0.54 0.00 0.00 174.62 175.34 1nd1 n GLY 155 N 0.24 -0.28 0.27 3.99 0.00 -1.26 0.07 105.19 108.21 1nd1 n GLY 155 Ca -0.12 0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.23 1nd1 n GLY 155 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nd1 h SER 156 N 0.00 0.00 -4.23 1.61 4.64 -2.03 -3.45 113.55 110.09 1nd1 h SER 156 Ca 0.10 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.91 1nd1 h SER 156 Cb 0.18 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.37 1nd1 h SER 156 CO -0.18 0.10 0.37 0.00 -0.87 0.00 0.00 176.83 176.24 1nd1 s SER 158 N -2.87 0.17 0.09 0.00 1.04 -1.26 -4.94 113.70 105.94 1nd1 s SER 158 Ca 0.64 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1nd1 s SER 158 Cb -0.18 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 1nd1 s SER 158 CO 0.44 -0.62 -0.02 0.00 0.98 0.00 0.00 173.24 174.02 1nd1 n GLY 160 N -0.01 0.57 3.40 0.00 0.00 -1.26 -4.92 105.19 102.97 1nd1 n GLY 160 Ca -0.11 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 1nd1 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nd1 s ALA 161 N -1.61 2.22 -0.72 4.61 0.00 -1.26 -5.00 121.76 119.99 1nd1 s ALA 161 Ca 0.20 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.44 1nd1 s ALA 161 Cb 0.11 0.90 0.19 0.00 0.00 0.00 0.00 23.12 24.32 1nd1 s ALA 161 CO 0.13 -0.40 1.04 1.63 0.00 0.00 0.00 175.76 178.16 1nd1 n LYS 162 N -0.65 0.02 -3.62 0.00 5.02 -1.24 -4.60 118.16 113.10 1nd1 n LYS 162 Ca -0.02 0.46 -0.09 0.00 -2.02 0.00 0.00 58.31 56.65 1nd1 n LYS 162 Cb 0.66 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 1nd1 n LYS 162 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1nd1 s SER 163 N -3.03 -0.34 0.04 4.39 0.15 -1.18 -5.00 113.70 108.72 1nd1 s SER 163 Ca -0.00 0.54 -0.03 0.00 0.70 0.00 0.00 55.95 57.15 1nd1 s SER 163 Cb 0.01 0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1nd1 s SER 163 CO 0.03 -0.20 0.24 0.00 1.20 0.00 0.00 173.24 174.50 1nd1 h ILE 165 N 2.53 1.07 -0.43 0.00 2.04 -1.29 -2.67 117.51 118.76 1nd1 h ILE 165 Ca -0.47 -0.27 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 1nd1 h ILE 165 Cb 1.18 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 1nd1 h ILE 165 CO 0.71 0.14 0.11 0.23 0.00 0.00 0.00 178.15 179.35 1nd1 n MET 166 N -4.47 2.95 -1.87 2.37 2.81 -1.26 -4.74 117.12 112.91 1nd1 n MET 166 Ca 0.09 -1.91 -0.41 0.00 -1.81 0.00 0.00 57.70 53.66 1nd1 n MET 166 Cb 0.16 -1.90 -0.00 0.00 -0.71 0.00 0.00 33.22 30.77 1nd1 n MET 166 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nd1 s ALA 167 N -2.07 3.49 0.38 3.04 0.00 -1.01 -0.75 121.76 124.85 1nd1 s ALA 167 Ca 0.34 1.49 0.12 0.00 0.00 0.00 0.00 51.96 53.90 1nd1 s ALA 167 Cb 0.27 -3.58 0.92 0.00 0.00 0.00 0.00 23.12 20.73 1nd1 s ALA 167 CO 0.09 -0.99 1.87 0.77 0.00 0.00 0.00 175.76 177.50 1nd1 h SER 168 N 2.95 0.55 -4.26 0.00 0.02 -1.92 -3.41 113.55 107.49 1nd1 h SER 168 Ca -0.50 0.04 -0.53 0.00 -0.84 0.00 0.00 61.79 59.96 1nd1 h SER 168 Cb 1.24 -0.07 -0.29 0.00 0.14 0.00 0.00 62.40 63.42 1nd1 h SER 168 CO 0.64 0.26 -0.83 0.68 -1.14 0.00 0.00 176.83 176.44 1nd1 s VAL 169 N -5.58 1.31 0.21 2.27 -7.23 -1.26 -5.11 120.40 105.01 1nd1 s VAL 169 Ca -0.09 -0.70 -0.31 0.00 -1.81 0.00 0.00 61.98 59.06 1nd1 s VAL 169 Cb 0.22 -1.09 -0.11 0.00 0.56 0.00 0.00 36.38 35.96 1nd1 s VAL 169 CO 0.78 0.37 1.63 -0.22 -0.31 0.00 0.00 175.10 177.35 1nd1 s LEU 170 N -0.35 4.37 -0.23 1.32 2.96 -1.26 -4.99 118.68 120.49 1nd1 s LEU 170 Ca 0.06 2.78 0.01 0.00 -0.22 0.00 0.00 54.13 56.76 1nd1 s LEU 170 Cb -0.07 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.06 1nd1 s LEU 170 CO -0.00 -0.89 -0.13 -0.55 -1.32 0.00 0.00 176.35 173.45 1nd1 s SER 171 N 1.00 3.92 -0.70 3.68 0.15 -1.26 -5.07 113.70 115.42 1nd1 s SER 171 Ca 0.70 -1.00 -0.27 0.00 0.70 0.00 0.00 55.95 56.08 1nd1 s SER 171 Cb -0.47 -1.55 0.02 0.00 -1.71 0.00 0.00 66.02 62.31 1nd1 s SER 171 CO 0.35 -0.11 1.37 -0.54 1.20 0.00 0.00 173.24 175.52 1nd1 s LYS 172 N 1.22 3.12 0.00 5.44 1.02 -1.26 -4.92 119.74 124.37 1nd1 s LYS 172 Ca -0.02 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 55.92 1nd1 s LYS 172 Cb -0.17 -4.20 0.00 0.00 -0.52 0.00 0.00 37.83 32.94 1nd1 s LYS 172 CO -0.08 -2.21 0.00 1.33 -0.92 0.00 0.00 175.35 173.47 1nd1 n VAL 173 N 6.55 0.00 -0.07 3.17 0.24 -1.26 -5.10 118.33 121.86 1nd1 n VAL 173 Ca 0.06 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.31 1nd1 n VAL 173 Cb 0.49 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.72 1nd1 n VAL 173 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1nd1 n LEU 174 N 0.00 0.00 -4.16 1.34 0.00 -1.26 -4.99 117.00 107.93 1nd1 n LEU 174 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 56.01 55.76 1nd1 n LEU 174 Cb 0.00 0.36 -0.15 0.00 0.00 0.00 0.00 43.42 43.63 1nd1 n LEU 174 CO 0.00 0.36 -0.50 -0.94 0.00 0.00 0.00 177.39 176.31 1nd1 s SER 175 N -5.05 2.05 0.20 1.96 1.04 -1.26 -5.09 113.70 107.56 1nd1 s SER 175 Ca -0.09 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.06 1nd1 s SER 175 Cb 0.07 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.85 1nd1 s SER 175 CO 0.75 0.20 -0.03 -0.31 0.98 0.00 0.00 173.24 174.84 1nd1 s TYR 176 N -0.33 1.45 -0.11 5.02 1.51 -1.26 -3.10 117.35 120.54 1nd1 s TYR 176 Ca 0.05 -0.90 -0.30 0.00 -1.01 0.00 0.00 57.07 54.91 1nd1 s TYR 176 Cb -0.08 -0.82 0.12 0.00 -0.11 0.00 0.00 41.96 41.08 1nd1 s TYR 176 CO -0.00 -0.03 1.00 -2.00 -1.11 0.00 0.00 175.55 173.41 1nd1 s GLU 177 N -3.84 0.61 0.09 -0.62 2.12 -1.14 -4.93 118.70 110.99 1nd1 s GLU 177 Ca 0.25 -0.09 -0.27 0.00 0.36 0.00 0.00 54.97 55.22 1nd1 s GLU 177 Cb 0.05 0.28 -0.06 0.00 0.26 0.00 0.00 34.13 34.66 1nd1 s GLU 177 CO 0.06 -0.24 0.84 -0.06 -0.54 0.00 0.00 175.26 175.33 1nd1 s PHE 178 N -2.17 3.79 1.21 5.30 0.08 -1.26 -0.71 117.98 124.21 1nd1 s PHE 178 Ca 0.03 1.63 -0.20 0.00 0.12 0.00 0.00 56.93 58.51 1nd1 s PHE 178 Cb -0.01 -2.91 0.29 0.00 -0.57 0.00 0.00 43.02 39.83 1nd1 s PHE 178 CO -0.04 0.28 1.12 -1.54 -0.10 0.00 0.00 175.22 174.94 1nd1 s SER 179 N -0.19 0.88 0.24 1.36 1.04 -1.26 -4.84 113.70 110.94 1nd1 s SER 179 Ca 0.41 0.57 0.05 0.00 0.48 0.00 0.00 55.95 57.47 1nd1 s SER 179 Cb -0.22 -0.78 0.27 0.00 0.10 0.00 0.00 66.02 65.40 1nd1 s SER 179 CO 0.26 -4.14 1.58 -2.24 0.98 0.00 0.00 173.24 169.68 1nd1 h ASP 180 N -2.59 0.27 -0.53 7.02 2.03 -1.82 -2.87 116.42 117.92 1nd1 h ASP 180 Ca -0.44 -0.15 -0.09 0.00 -0.73 0.00 0.00 57.03 55.62 1nd1 h ASP 180 Cb 1.29 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 39.69 1nd1 h ASP 180 CO 0.32 0.79 -0.03 0.00 -1.03 0.00 0.00 179.24 179.30 1nd1 h SER 182 N 0.83 1.02 -0.49 0.00 0.02 -1.88 -0.47 113.55 112.58 1nd1 h SER 182 Ca 0.15 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1nd1 h SER 182 Cb 0.57 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1nd1 h SER 182 CO 0.03 0.88 0.05 1.56 -1.14 0.00 0.00 176.83 178.21 1nd1 h GLN 183 N 1.09 0.89 -0.28 3.45 4.20 -1.31 -0.66 115.11 122.49 1nd1 h GLN 183 Ca 0.26 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 1nd1 h GLN 183 Cb 0.14 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1nd1 h GLN 183 CO -0.03 0.86 -0.28 -0.91 -0.67 0.00 0.00 178.83 177.79 1nd1 h ASN 184 N 0.84 0.73 -0.15 1.46 2.35 -0.92 -1.99 115.58 117.90 1nd1 h ASN 184 Ca 0.17 -0.47 -0.06 0.00 -0.55 0.00 0.00 56.30 55.38 1nd1 h ASN 184 Cb 0.42 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1nd1 h ASN 184 CO 0.01 1.05 -0.09 1.56 -1.65 0.00 0.00 177.43 178.32 1nd1 h GLN 185 N 0.42 0.48 -0.14 0.81 4.20 -0.90 -0.44 115.11 119.55 1nd1 h GLN 185 Ca 0.04 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1nd1 h GLN 185 Cb 0.85 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1nd1 h GLN 185 CO 0.07 0.58 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.85 1nd1 h TYR 186 N 0.45 0.30 -0.85 2.96 3.20 -1.04 -0.90 116.97 121.09 1nd1 h TYR 186 Ca 0.09 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 61.94 1nd1 h TYR 186 Cb 0.44 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1nd1 h TYR 186 CO 0.01 0.57 0.54 1.49 -1.64 0.00 0.00 178.16 179.13 1nd1 h GLU 187 N -0.05 0.99 -0.49 1.82 4.81 -1.04 -1.05 114.58 119.57 1nd1 h GLU 187 Ca 0.03 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1nd1 h GLU 187 Cb 0.48 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1nd1 h GLU 187 CO 0.02 0.65 -0.00 1.15 -0.73 0.00 0.00 179.01 180.09 1nd1 h THR 188 N 1.02 1.24 -0.45 0.32 2.02 -0.93 -2.11 112.91 114.03 1nd1 h THR 188 Ca 0.36 -1.02 -0.10 0.00 0.77 0.00 0.00 66.41 66.42 1nd1 h THR 188 Cb 0.09 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1nd1 h THR 188 CO -0.15 0.36 -0.11 0.22 0.37 0.00 0.00 175.52 176.21 1nd1 h TYR 189 N 0.76 0.97 0.27 3.16 3.20 -0.24 -1.06 116.97 124.03 1nd1 h TYR 189 Ca 0.15 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1nd1 h TYR 189 Cb 0.46 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1nd1 h TYR 189 CO 0.02 0.97 -0.13 -0.07 -1.64 0.00 0.00 178.16 177.31 1nd1 h LEU 190 N 0.70 -0.31 -0.82 2.82 3.38 -1.06 0.57 115.31 120.59 1nd1 h LEU 190 Ca 0.11 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1nd1 h LEU 190 Cb 0.65 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 1nd1 h LEU 190 CO 0.04 -0.18 0.48 0.74 0.09 0.00 0.00 178.44 179.61 1nd1 h THR 191 N -0.41 0.94 0.00 0.22 2.02 -1.33 0.27 112.91 114.63 1nd1 h THR 191 Ca -0.04 -0.28 -0.19 0.00 0.77 0.00 0.00 66.41 66.67 1nd1 h THR 191 Cb 0.31 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1nd1 h THR 191 CO 0.06 0.15 -1.44 0.78 0.37 0.00 0.00 175.52 175.45 1nd1 h ASN 192 N 0.83 0.00 0.00 4.18 -0.26 -1.09 -3.42 115.58 115.82 1nd1 h ASN 192 Ca 0.39 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 56.10 1nd1 h ASN 192 Cb 0.31 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1nd1 h ASN 192 CO -0.23 0.67 -1.09 1.41 -1.06 0.00 0.00 177.43 177.13 1nd1 n HIS 193 N -2.94 0.00 -3.27 1.19 8.25 0.18 -5.07 115.22 113.56 1nd1 n HIS 193 Ca -0.11 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.04 1nd1 n HIS 193 Cb 0.88 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.95 1nd1 n HIS 193 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1nd1 n ASN 194 N -2.32 -4.53 -4.68 0.41 5.15 0.95 -4.77 115.26 105.47 1nd1 n ASN 194 Ca -0.03 -0.31 -0.44 0.00 -0.60 0.00 0.00 54.58 53.20 1nd1 n ASN 194 Cb 0.54 -1.36 -0.04 0.00 -0.53 0.00 0.00 39.78 38.39 1nd1 n ASN 194 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1nd1 n PRO 195 N -0.68 2.62 0.13 1.20 -0.02 -1.26 -4.90 135.00 132.10 1nd1 n PRO 195 Ca -0.13 0.96 -0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1nd1 n PRO 195 Cb 0.59 -2.84 0.15 0.00 -0.02 0.00 0.00 33.50 31.38 1nd1 n PRO 195 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1nd1 h GLN 196 N 8.95 0.00 0.00 -0.52 1.08 -1.93 -3.26 115.11 119.43 1nd1 h GLN 196 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1nd1 h GLN 196 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1nd1 h GLN 196 CO 0.94 0.62 0.00 0.00 -0.95 0.00 0.00 178.83 179.44 1nd1 n ILE 198 N -2.37 0.12 -4.28 0.00 -5.35 -1.23 -4.94 119.36 101.31 1nd1 n ILE 198 Ca -0.00 -0.56 -0.35 0.00 -0.27 0.00 0.00 62.75 61.57 1nd1 n ILE 198 Cb 0.11 1.28 -0.09 0.00 -1.74 0.00 0.00 39.64 39.21 1nd1 n ILE 198 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1nd1 s LEU 199 N -1.49 3.69 -0.23 7.28 0.20 -0.77 -1.07 118.68 126.28 1nd1 s LEU 199 Ca 0.24 0.16 -0.15 0.00 0.69 0.00 0.00 54.13 55.06 1nd1 s LEU 199 Cb 0.16 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.96 1nd1 s LEU 199 CO 0.24 0.36 0.38 0.20 -0.29 0.00 0.00 176.35 177.24 1nd1 s ASN 200 N -1.09 6.36 0.67 3.68 0.02 -1.26 -4.99 114.94 118.33 1nd1 s ASN 200 Ca 0.15 0.43 0.00 0.00 -1.02 0.00 0.00 52.86 52.42 1nd1 s ASN 200 Cb -0.11 -2.22 0.12 0.00 0.02 0.00 0.00 41.25 39.05 1nd1 s ASN 200 CO 0.05 -0.11 0.82 0.29 0.02 0.00 0.00 177.10 178.17 1nd1 n LYS 201 N 4.75 0.05 -0.02 -0.60 4.76 -1.26 -5.18 118.16 120.66 1nd1 n LYS 201 Ca -0.09 -2.27 0.00 0.00 -2.87 0.00 0.00 58.31 53.08 1nd1 n LYS 201 Cb 0.51 -0.53 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 1nd1 n LYS 201 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73