#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkf h SER 4 N 0.00 0.00 0.36 4.04 0.02 -2.03 -2.39 113.55 113.55 1gkf h SER 4 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1gkf h SER 4 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1gkf h SER 4 CO 0.00 0.44 -0.58 0.77 -1.14 0.00 0.00 176.83 176.32 1gkf h SER 5 N 0.00 0.26 -3.40 3.07 4.64 -2.04 -3.44 113.55 112.65 1gkf h SER 5 Ca -0.00 -0.14 -0.52 0.00 -0.47 0.00 0.00 61.79 60.65 1gkf h SER 5 Cb 0.86 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1gkf h SER 5 CO 0.06 0.78 0.53 -0.70 -0.87 0.00 0.00 176.83 176.63 1gkf s GLU 6 N -3.80 4.50 -0.09 4.77 2.12 -0.90 -5.06 118.70 120.24 1gkf s GLU 6 Ca -0.04 1.78 0.00 0.00 0.36 0.00 0.00 54.97 57.07 1gkf s GLU 6 Cb 0.12 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 31.24 1gkf s GLU 6 CO 0.79 -0.10 -0.08 0.42 -0.54 0.00 0.00 175.26 175.75 1gkf s ILE 7 N 0.33 0.99 -0.18 -3.70 1.01 -1.26 -4.41 121.20 113.98 1gkf s ILE 7 Ca 0.54 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.83 1gkf s ILE 7 Cb -0.30 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1gkf s ILE 7 CO 0.33 0.35 0.02 -0.75 0.00 0.00 0.00 174.94 174.89 1gkf s LYS 8 N 1.41 3.82 -0.18 2.79 2.20 -0.32 -4.97 119.74 124.49 1gkf s LYS 8 Ca -0.01 -0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 55.16 1gkf s LYS 8 Cb -0.13 -3.11 -0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1gkf s LYS 8 CO -0.05 0.21 -0.10 0.42 -0.36 0.00 0.00 175.35 175.47 1gkf s ILE 9 N 0.51 2.98 -0.15 5.43 1.01 -1.26 -0.53 121.20 129.19 1gkf s ILE 9 Ca 0.01 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1gkf s ILE 9 Cb -0.13 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.04 1gkf s ILE 9 CO 0.02 0.48 -0.20 -0.69 0.00 0.00 0.00 174.94 174.55 1gkf s VAL 10 N 1.09 2.23 -0.12 2.92 1.01 -0.15 -4.96 120.40 122.42 1gkf s VAL 10 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1gkf s VAL 10 Cb -0.15 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1gkf s VAL 10 CO -0.03 0.54 0.08 -0.13 0.00 0.00 0.00 175.10 175.56 1gkf s ARG 11 N 0.83 3.39 0.11 2.72 0.52 -1.26 -0.24 118.95 125.03 1gkf s ARG 11 Ca -0.06 -0.27 -0.02 0.00 -0.52 0.00 0.00 55.73 54.86 1gkf s ARG 11 Cb -0.15 -3.06 0.03 0.00 0.52 0.00 0.00 34.95 32.28 1gkf s ARG 11 CO -0.02 0.65 0.15 -0.40 0.02 0.00 0.00 175.30 175.70 1gkf n ASP 12 N 2.36 0.05 0.04 0.23 5.68 -1.26 -4.86 116.55 118.79 1gkf n ASP 12 Ca -0.19 -1.08 0.09 0.00 -0.50 0.00 0.00 54.79 53.12 1gkf n ASP 12 Cb 0.54 -0.11 0.39 0.00 -1.14 0.00 0.00 41.12 40.80 1gkf n ASP 12 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1gkf n GLU 13 N -1.32 0.07 -0.31 0.11 1.02 -1.26 -0.68 120.64 118.27 1gkf n GLU 13 Ca 0.02 0.27 0.08 0.00 -0.02 0.00 0.00 57.16 57.52 1gkf n GLU 13 Cb 0.07 -1.62 0.24 0.00 -0.02 0.00 0.00 31.44 30.12 1gkf n GLU 13 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1gkf n TYR 14 N -1.74 0.80 -1.35 -0.32 4.01 -1.26 -5.25 117.16 112.05 1gkf n TYR 14 Ca 0.04 -0.54 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 1gkf n TYR 14 Cb 0.21 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 1gkf n TYR 14 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gkf n GLY 15 N 0.92 -2.63 3.10 2.72 0.00 0.14 -5.21 105.19 104.25 1gkf n GLY 15 Ca 0.18 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1gkf n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gkf s PRO 17 N -0.92 0.40 -0.14 1.61 0.04 -1.26 -4.66 135.00 130.07 1gkf s PRO 17 Ca 0.00 -0.12 0.01 0.00 0.04 0.00 0.00 61.00 60.93 1gkf s PRO 17 Cb 0.00 0.17 0.02 0.00 0.04 0.00 0.00 34.50 34.73 1gkf s PRO 17 CO 0.00 -0.09 -0.16 -1.01 0.04 0.00 0.00 177.00 175.78 1gkf s HIS 18 N -0.80 2.25 -0.17 0.56 3.76 0.67 -4.97 115.29 116.59 1gkf s HIS 18 Ca -0.09 -1.22 -0.06 0.00 -0.15 0.00 0.00 55.06 53.55 1gkf s HIS 18 Cb -0.05 -1.62 -0.04 0.00 1.11 0.00 0.00 32.58 31.99 1gkf s HIS 18 CO 0.01 -0.63 0.03 0.42 -0.85 0.00 0.00 174.74 173.72 1gkf s ILE 19 N 1.26 4.50 -0.18 0.60 -1.09 -1.26 -0.98 121.20 124.05 1gkf s ILE 19 Ca 0.01 -0.14 -0.00 0.00 -2.23 0.00 0.00 60.65 58.28 1gkf s ILE 19 Cb -0.14 -3.00 0.01 0.00 -1.58 0.00 0.00 42.46 37.75 1gkf s ILE 19 CO -0.08 0.48 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.65 1gkf s TYR 20 N 0.26 2.81 0.23 3.97 2.02 0.31 -5.00 117.35 121.96 1gkf s TYR 20 Ca 0.02 -1.29 -0.18 0.00 -0.37 0.00 0.00 57.07 55.25 1gkf s TYR 20 Cb -0.13 -1.94 0.02 0.00 -0.40 0.00 0.00 41.96 39.51 1gkf s TYR 20 CO 0.01 -0.63 0.57 0.00 -1.57 0.00 0.00 175.55 173.93 1gkf s ALA 21 N 1.14 -0.89 -1.57 3.71 0.00 -1.26 -1.17 121.76 121.72 1gkf s ALA 21 Ca 0.01 -0.36 0.14 0.00 0.00 0.00 0.00 51.96 51.76 1gkf s ALA 21 Cb -0.14 0.90 0.06 0.00 0.00 0.00 0.00 23.12 23.94 1gkf s ALA 21 CO -0.06 -0.88 0.88 0.09 0.00 0.00 0.00 175.76 175.79 1gkf n ASN 22 N -0.38 1.86 -3.98 0.00 3.02 -1.26 -4.87 115.26 109.64 1gkf n ASN 22 Ca -0.07 -1.43 -0.10 0.00 -0.03 0.00 0.00 54.58 52.95 1gkf n ASN 22 Cb 0.61 0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 39.95 1gkf n ASN 22 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1gkf s ASP 23 N -1.47 -0.02 0.14 6.41 1.47 -1.26 -5.06 116.67 116.88 1gkf s ASP 23 Ca 0.14 -0.91 -0.18 0.00 1.18 0.00 0.00 52.55 52.79 1gkf s ASP 23 Cb 0.12 0.49 -0.00 0.00 -0.34 0.00 0.00 42.92 43.19 1gkf s ASP 23 CO 0.27 -0.99 1.78 0.74 0.68 0.00 0.00 175.17 177.65 1gkf h THR 24 N 2.42 1.01 -0.42 2.11 2.02 -1.94 -1.28 112.91 116.82 1gkf h THR 24 Ca -0.30 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1gkf h THR 24 Cb 1.24 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1gkf h THR 24 CO 0.43 0.06 0.21 -0.25 0.37 0.00 0.00 175.52 176.34 1gkf h TRP 25 N 0.34 0.61 -0.41 3.16 7.01 -1.94 -1.75 115.95 122.97 1gkf h TRP 25 Ca 0.12 -0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.02 1gkf h TRP 25 Cb 0.03 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 1gkf h TRP 25 CO -0.09 0.49 -0.06 0.45 -2.79 0.00 0.00 178.44 176.44 1gkf h HIS 26 N 0.55 0.74 -0.06 2.65 3.86 -1.86 -0.03 115.15 121.01 1gkf h HIS 26 Ca 0.15 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1gkf h HIS 26 Cb 0.11 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 1gkf h HIS 26 CO -0.01 0.74 0.02 1.25 0.86 0.00 0.00 177.93 180.79 1gkf h LEU 27 N 0.64 0.08 -1.10 2.43 5.85 -0.84 -1.76 115.31 120.61 1gkf h LEU 27 Ca 0.12 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1gkf h LEU 27 Cb 0.49 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1gkf h LEU 27 CO 0.03 0.22 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.76 1gkf h PHE 28 N -0.07 0.00 -0.37 1.25 0.04 -1.25 -2.20 116.94 114.34 1gkf h PHE 28 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1gkf h PHE 28 Cb 0.16 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1gkf h PHE 28 CO -0.02 0.32 0.24 -0.92 -0.60 0.00 0.00 178.31 177.33 1gkf h TYR 29 N 0.00 0.46 -0.64 -0.55 5.03 -0.85 -0.45 116.97 119.97 1gkf h TYR 29 Ca -0.00 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 1gkf h TYR 29 Cb 0.79 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.88 1gkf h TYR 29 CO 0.00 0.30 0.25 0.78 -1.32 0.00 0.00 178.16 178.17 1gkf h GLY 30 N 0.49 1.01 0.90 1.82 0.00 -0.89 -0.40 103.07 106.00 1gkf h GLY 30 Ca 0.13 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1gkf h GLY 30 CO -0.03 0.50 -0.03 -1.82 0.00 0.00 0.00 176.54 175.17 1gkf h TYR 31 N 0.93 -0.07 -0.91 5.60 5.03 -1.09 -1.90 116.97 124.55 1gkf h TYR 31 Ca 0.22 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.60 1gkf h TYR 31 Cb 0.19 0.02 -0.07 0.00 1.55 0.00 0.00 36.73 38.43 1gkf h TYR 31 CO 0.01 0.05 0.57 0.78 -1.32 0.00 0.00 178.16 178.25 1gkf h GLY 32 N -0.18 1.40 0.87 1.82 0.00 -0.75 -1.71 103.07 104.52 1gkf h GLY 32 Ca -0.01 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 46.93 1gkf h GLY 32 CO 0.01 0.25 -0.00 -1.82 0.00 0.00 0.00 176.54 174.98 1gkf h TYR 33 N 1.00 -0.01 -0.13 5.60 3.20 -0.85 -1.30 116.97 124.48 1gkf h TYR 33 Ca 0.41 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.21 1gkf h TYR 33 Cb 0.24 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1gkf h TYR 33 CO -0.02 -0.01 -0.27 -0.39 -1.64 0.00 0.00 178.16 175.82 1gkf h VAL 34 N 0.02 1.24 -0.31 1.81 -1.51 -0.96 -2.07 116.25 114.48 1gkf h VAL 34 Ca 0.04 -1.15 -0.03 0.00 -1.23 0.00 0.00 66.70 64.33 1gkf h VAL 34 Cb 0.05 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 1gkf h VAL 34 CO -0.07 0.35 0.08 0.58 -1.23 0.00 0.00 177.57 177.28 1gkf h VAL 35 N 0.21 1.21 0.00 7.19 2.07 -1.14 -0.70 116.25 125.10 1gkf h VAL 35 Ca 0.03 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1gkf h VAL 35 Cb 0.59 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1gkf h VAL 35 CO 0.04 0.24 -0.24 0.00 0.02 0.00 0.00 177.57 177.63 1gkf h ALA 36 N 0.91 1.52 -0.30 1.67 0.00 -0.99 0.81 119.26 122.88 1gkf h ALA 36 Ca 0.10 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1gkf h ALA 36 Cb 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1gkf h ALA 36 CO -0.00 0.30 -0.33 1.96 0.00 0.00 0.00 179.25 181.18 1gkf h GLN 37 N 0.00 0.76 0.05 0.00 4.20 -0.96 -3.29 115.11 115.87 1gkf h GLN 37 Ca -0.00 -0.41 -0.29 0.00 0.06 0.00 0.00 58.65 58.00 1gkf h GLN 37 Cb 0.45 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 1gkf h GLN 37 CO 0.03 1.04 -1.61 -0.44 -0.67 0.00 0.00 178.83 177.18 1gkf h ASP 38 N 0.52 0.17 -0.07 1.46 3.32 -0.70 -3.42 116.42 117.69 1gkf h ASP 38 Ca 0.04 -0.29 -0.19 0.00 0.02 0.00 0.00 57.03 56.62 1gkf h ASP 38 Cb 0.91 -0.05 -0.37 0.00 0.22 0.00 0.00 39.33 40.04 1gkf h ASP 38 CO 0.08 1.25 -0.99 0.54 -1.72 0.00 0.00 179.24 178.40 1gkf n ARG 39 N -3.26 0.32 -0.15 3.56 5.12 0.24 -4.95 116.66 117.54 1gkf n ARG 39 Ca -0.17 -2.18 -0.07 0.00 -1.93 0.00 0.00 57.85 53.50 1gkf n ARG 39 Cb 1.03 -0.24 0.02 0.00 -1.16 0.00 0.00 32.46 32.12 1gkf n ARG 39 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1gkf h LEU 40 N 1.21 0.48 -0.46 0.55 5.85 -1.63 0.11 115.31 121.43 1gkf h LEU 40 Ca -0.24 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1gkf h LEU 40 Cb 1.75 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 1gkf h LEU 40 CO 0.08 0.35 0.13 0.15 -0.34 0.00 0.00 178.44 178.81 1gkf h PHE 41 N 0.59 0.75 -0.56 1.25 3.57 -1.92 0.90 116.94 121.51 1gkf h PHE 41 Ca 0.18 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1gkf h PHE 41 Cb -0.02 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.45 1gkf h PHE 41 CO -0.06 0.67 0.27 0.37 -2.23 0.00 0.00 178.31 177.34 1gkf h GLN 42 N 0.60 0.50 -0.54 1.11 4.15 -1.89 -0.43 115.11 118.61 1gkf h GLN 42 Ca 0.15 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.45 1gkf h GLN 42 Cb 0.29 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 1gkf h GLN 42 CO -0.00 0.33 0.01 0.52 -1.93 0.00 0.00 178.83 177.75 1gkf h MET 43 N 0.51 0.95 -0.91 1.69 2.86 -0.72 0.50 114.93 119.81 1gkf h MET 43 Ca 0.26 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1gkf h MET 43 Cb 0.21 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 1gkf h MET 43 CO -0.20 0.96 0.52 1.49 1.06 0.00 0.00 176.91 180.73 1gkf h GLU 44 N 0.83 1.26 0.00 1.72 4.57 -0.46 0.93 114.58 123.43 1gkf h GLU 44 Ca 0.15 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 58.05 1gkf h GLU 44 Cb 0.52 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1gkf h GLU 44 CO 0.03 0.91 -0.67 0.52 -1.18 0.00 0.00 179.01 178.62 1gkf h MET 45 N 1.27 0.00 -0.41 1.92 2.86 -0.91 -1.42 114.93 118.24 1gkf h MET 45 Ca 0.32 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.86 1gkf h MET 45 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1gkf h MET 45 CO -0.05 0.67 -0.16 0.00 1.06 0.00 0.00 176.91 178.43 1gkf h ALA 46 N 1.33 0.93 -0.12 6.32 0.00 -0.50 0.16 119.26 127.39 1gkf h ALA 46 Ca -0.01 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1gkf h ALA 46 Cb 1.19 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1gkf h ALA 46 CO 0.09 0.62 -0.05 -0.09 0.00 0.00 0.00 179.25 179.82 1gkf h ARG 47 N 0.69 -0.03 -0.47 0.00 2.43 -0.40 -0.50 114.38 116.11 1gkf h ARG 47 Ca 0.11 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1gkf h ARG 47 Cb 0.66 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1gkf h ARG 47 CO 0.05 -0.02 0.09 0.00 -1.51 0.00 0.00 179.97 178.58 1gkf h ARG 48 N -0.03 0.72 -0.44 0.20 3.08 -1.13 -1.48 114.38 115.30 1gkf h ARG 48 Ca 0.06 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1gkf h ARG 48 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1gkf h ARG 48 CO -0.14 0.68 0.07 0.77 -1.07 0.00 0.00 179.97 180.28 1gkf h SER 49 N 0.70 0.71 1.34 7.04 0.02 -0.68 0.17 113.55 122.85 1gkf h SER 49 Ca 0.15 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1gkf h SER 49 Cb 0.30 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1gkf h SER 49 CO 0.00 0.79 0.00 0.71 -1.14 0.00 0.00 176.83 177.20 1gkf h THR 50 N 0.60 0.00 -0.01 -2.27 1.35 -0.79 -3.17 112.91 108.62 1gkf h THR 50 Ca 0.13 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1gkf h THR 50 Cb 0.39 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1gkf h THR 50 CO 0.01 0.00 -0.15 0.00 -0.25 0.00 0.00 175.52 175.13 1gkf n GLN 51 N -2.89 2.00 -2.71 4.72 6.02 -0.58 -4.79 117.38 119.15 1gkf n GLN 51 Ca 0.02 -0.59 -0.09 0.00 -0.01 0.00 0.00 57.00 56.34 1gkf n GLN 51 Cb 0.38 -1.04 0.05 0.00 1.02 0.00 0.00 30.24 30.65 1gkf n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gkf n GLY 52 N 0.78 0.01 1.15 1.08 0.00 0.47 -4.67 105.19 104.01 1gkf n GLY 52 Ca 0.04 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.95 1gkf n GLY 52 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gkf n THR 53 N -2.59 1.11 -0.03 2.61 -2.24 -0.38 -4.73 114.28 108.02 1gkf n THR 53 Ca -0.14 -2.16 -0.17 0.00 -2.27 0.00 0.00 64.05 59.31 1gkf n THR 53 Cb 0.59 0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 69.13 1gkf n THR 53 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1gkf h VAL 54 N 4.12 1.28 0.00 2.28 2.07 -1.89 -3.22 116.25 120.90 1gkf h VAL 54 Ca -0.11 -1.94 -0.03 0.00 0.82 0.00 0.00 66.70 65.44 1gkf h VAL 54 Cb 1.47 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1gkf h VAL 54 CO 0.08 0.61 -0.14 0.00 0.02 0.00 0.00 177.57 178.14 1gkf h ALA 55 N 0.55 1.52 -0.63 1.67 0.00 -1.79 0.04 119.26 120.61 1gkf h ALA 55 Ca -0.05 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.86 1gkf h ALA 55 Cb 1.37 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1gkf h ALA 55 CO 0.15 0.17 0.43 1.49 0.00 0.00 0.00 179.25 181.49 1gkf h GLU 56 N 0.00 0.31 0.00 0.00 4.81 -1.87 -0.17 114.58 117.66 1gkf h GLU 56 Ca -0.00 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 1gkf h GLU 56 Cb 0.29 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1gkf h GLU 56 CO 0.02 0.21 -1.85 1.33 -0.73 0.00 0.00 179.01 177.98 1gkf n VAL 57 N -4.45 0.80 0.71 0.32 0.24 -0.71 -4.79 118.33 110.44 1gkf n VAL 57 Ca 0.11 -0.52 0.07 0.00 -2.04 0.00 0.00 64.34 61.96 1gkf n VAL 57 Cb 0.47 -0.58 -0.05 0.00 -1.47 0.00 0.00 33.84 32.21 1gkf n VAL 57 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1gkf n LEU 58 N -2.43 1.06 0.00 1.34 4.77 -0.08 -4.98 117.00 116.68 1gkf n LEU 58 Ca -0.19 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1gkf n LEU 58 Cb 0.87 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 1gkf n LEU 58 CO 0.27 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1gkf n GLY 59 N 1.28 -1.77 0.30 -0.72 0.00 -0.08 -4.62 105.19 99.57 1gkf n GLY 59 Ca 0.04 -1.92 0.15 0.00 0.00 0.00 0.00 46.02 44.29 1gkf n GLY 59 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1gkf h LYS 60 N 0.00 0.00 0.00 1.61 2.10 -1.98 -2.05 116.57 116.26 1gkf h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1gkf h LYS 60 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1gkf h LYS 60 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1gkf n ASP 61 N -3.96 0.58 -0.67 7.07 8.00 -1.26 -2.64 116.55 123.67 1gkf n ASP 61 Ca -0.02 0.68 0.06 0.00 0.71 0.00 0.00 54.79 56.22 1gkf n ASP 61 Cb 0.15 -0.79 0.16 0.00 -0.02 0.00 0.00 41.12 40.62 1gkf n ASP 61 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1gkf n PHE 62 N -2.18 0.46 0.12 1.24 3.72 -0.77 -4.68 117.46 115.38 1gkf n PHE 62 Ca 0.01 -0.47 -0.13 0.00 -0.05 0.00 0.00 57.45 56.81 1gkf n PHE 62 Cb 0.16 -0.02 -0.08 0.00 -0.94 0.00 0.00 39.48 38.60 1gkf n PHE 62 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1gkf h VAL 63 N 2.18 0.87 -0.72 -4.37 2.07 -1.65 -1.27 116.25 113.37 1gkf h VAL 63 Ca 0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1gkf h VAL 63 Cb 0.73 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1gkf h VAL 63 CO 0.00 0.05 0.40 0.50 0.02 0.00 0.00 177.57 178.54 1gkf h LYS 64 N -0.32 1.00 -0.10 1.57 3.64 -1.83 -1.11 116.57 119.41 1gkf h LYS 64 Ca -0.02 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1gkf h LYS 64 Cb 0.25 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 1gkf h LYS 64 CO 0.04 0.74 -0.36 0.35 -2.27 0.00 0.00 179.45 177.95 1gkf h PHE 65 N 0.99 -1.02 -0.76 1.91 3.57 -1.83 -0.03 116.94 119.77 1gkf h PHE 65 Ca 0.26 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.83 1gkf h PHE 65 Cb 0.02 0.46 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1gkf h PHE 65 CO -0.00 -0.44 0.48 -0.44 -2.23 0.00 0.00 178.31 175.68 1gkf h ASP 66 N -0.46 0.79 -0.54 0.41 3.32 -0.80 -0.79 116.42 118.35 1gkf h ASP 66 Ca 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1gkf h ASP 66 Cb 0.59 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1gkf h ASP 66 CO -0.36 0.54 0.32 0.11 -1.72 0.00 0.00 179.24 178.13 1gkf h LYS 67 N 0.93 0.74 -0.63 3.56 1.57 -0.95 -1.63 116.57 120.16 1gkf h LYS 67 Ca 0.31 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 1gkf h LYS 67 Cb 0.03 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1gkf h LYS 67 CO -0.12 0.54 0.08 -0.44 -0.57 0.00 0.00 179.45 178.94 1gkf h ASP 68 N 0.72 1.00 -0.25 0.86 3.32 -0.34 0.44 116.42 122.17 1gkf h ASP 68 Ca 0.19 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1gkf h ASP 68 Cb 0.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1gkf h ASP 68 CO -0.03 1.01 0.14 0.40 -1.72 0.00 0.00 179.24 179.04 1gkf h ILE 69 N 0.97 1.11 -0.34 0.35 1.08 -0.93 -2.69 117.51 117.07 1gkf h ILE 69 Ca 0.19 -0.30 -0.08 0.00 -0.39 0.00 0.00 64.86 64.28 1gkf h ILE 69 Cb 0.45 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 1gkf h ILE 69 CO 0.02 0.11 -0.13 0.03 -0.69 0.00 0.00 178.15 177.49 1gkf h ARG 70 N 0.30 0.59 0.00 2.37 3.08 -0.93 -1.94 114.38 117.86 1gkf h ARG 70 Ca 0.09 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1gkf h ARG 70 Cb 0.06 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1gkf h ARG 70 CO -0.01 0.71 -0.12 0.00 -1.07 0.00 0.00 179.97 179.47 1gkf h ARG 71 N 0.55 0.00 -0.35 0.04 3.08 -0.84 -3.09 114.38 113.76 1gkf h ARG 71 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1gkf h ARG 71 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1gkf h ARG 71 CO 0.03 0.12 0.00 -1.71 -1.07 0.00 0.00 179.97 177.34 1gkf n ASN 72 N -3.35 1.74 -3.53 7.04 5.15 -0.73 -4.98 115.26 116.60 1gkf n ASN 72 Ca -0.01 -2.04 -0.11 0.00 -0.60 0.00 0.00 54.58 51.82 1gkf n ASN 72 Cb 0.32 -0.24 -0.04 0.00 -0.53 0.00 0.00 39.78 39.29 1gkf n ASN 72 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1gkf s TYR 73 N -1.61 0.59 -0.43 1.20 1.13 -1.17 -5.10 117.35 111.97 1gkf s TYR 73 Ca 0.20 -0.96 0.02 0.00 -1.41 0.00 0.00 57.07 54.93 1gkf s TYR 73 Cb 0.11 0.19 0.14 0.00 -1.10 0.00 0.00 41.96 41.30 1gkf s TYR 73 CO 0.13 -1.15 0.24 -0.46 -2.51 0.00 0.00 175.55 171.80 1gkf s TRP 74 N -3.36 1.84 0.43 -3.49 -0.11 -1.26 -4.96 118.94 108.02 1gkf s TRP 74 Ca 0.24 -2.33 0.15 0.00 1.22 0.00 0.00 56.10 55.38 1gkf s TRP 74 Cb -0.01 -1.78 1.04 0.00 -1.50 0.00 0.00 33.47 31.22 1gkf s TRP 74 CO 0.14 -0.79 1.93 -1.00 -4.62 0.00 0.00 176.95 172.61 1gkf h PRO 75 N 6.76 0.41 -0.09 5.86 0.13 -2.00 -1.55 132.00 141.52 1gkf h PRO 75 Ca -0.00 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 1gkf h PRO 75 Cb 0.93 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1gkf h PRO 75 CO 0.46 0.27 -0.12 -0.44 -0.23 0.00 0.00 178.00 177.94 1gkf h ASP 76 N 0.42 0.13 -0.53 1.44 3.32 -1.99 -1.05 116.42 118.16 1gkf h ASP 76 Ca 0.35 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.26 1gkf h ASP 76 Cb 0.78 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1gkf h ASP 76 CO -0.11 0.27 -0.14 0.00 -1.72 0.00 0.00 179.24 177.54 1gkf h ALA 77 N 1.74 0.74 -0.48 3.45 0.00 -1.72 -1.04 119.26 121.96 1gkf h ALA 77 Ca 0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1gkf h ALA 77 Cb 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1gkf h ALA 77 CO 0.02 0.68 0.15 0.82 0.00 0.00 0.00 179.25 180.92 1gkf h ILE 78 N 0.91 1.22 -0.27 0.00 1.08 -1.29 -2.03 117.51 117.13 1gkf h ILE 78 Ca 0.13 -0.74 -0.06 0.00 -0.39 0.00 0.00 64.86 63.80 1gkf h ILE 78 Cb 0.72 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 1gkf h ILE 78 CO 0.05 0.27 -0.10 0.03 -0.69 0.00 0.00 178.15 177.72 1gkf h ARG 79 N 0.63 0.44 -0.29 2.37 3.08 -1.02 -1.74 114.38 117.86 1gkf h ARG 79 Ca 0.15 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1gkf h ARG 79 Cb 0.26 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1gkf h ARG 79 CO -0.01 0.55 -0.28 0.00 -1.07 0.00 0.00 179.97 179.16 1gkf h ALA 80 N 1.49 0.97 -0.50 0.04 0.00 -0.86 -0.54 119.26 119.86 1gkf h ALA 80 Ca 0.08 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1gkf h ALA 80 Cb 0.43 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1gkf h ALA 80 CO 0.02 0.60 -0.14 1.96 0.00 0.00 0.00 179.25 181.69 1gkf h GLN 81 N 0.50 0.95 -0.47 0.00 4.20 -0.77 -2.56 115.11 116.97 1gkf h GLN 81 Ca 0.07 -0.36 -0.04 0.00 0.06 0.00 0.00 58.65 58.38 1gkf h GLN 81 Cb 0.75 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1gkf h GLN 81 CO 0.06 1.02 0.15 0.82 -0.67 0.00 0.00 178.83 180.21 1gkf h ILE 82 N 0.84 1.22 0.00 2.54 2.04 -0.89 -2.80 117.51 120.46 1gkf h ILE 82 Ca 0.13 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1gkf h ILE 82 Cb 0.69 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1gkf h ILE 82 CO 0.05 0.27 -0.11 0.00 0.00 0.00 0.00 178.15 178.36 1gkf h ALA 83 N 1.01 1.18 -0.00 1.87 0.00 -0.80 -1.80 119.26 120.71 1gkf h ALA 83 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1gkf h ALA 83 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1gkf h ALA 83 CO -0.01 0.13 -0.05 0.00 0.00 0.00 0.00 179.25 179.33 1gkf n ALA 84 N -2.23 2.50 -1.66 0.00 0.00 -0.99 -4.93 120.51 113.20 1gkf n ALA 84 Ca -0.01 -0.15 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 1gkf n ALA 84 Cb 0.26 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.29 1gkf n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gkf s LEU 85 N -2.82 3.60 0.82 0.00 1.43 -0.68 -5.02 118.68 116.01 1gkf s LEU 85 Ca 0.20 2.14 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 1gkf s LEU 85 Cb 0.19 -4.57 0.09 0.00 0.03 0.00 0.00 46.19 41.93 1gkf s LEU 85 CO 0.52 -1.44 1.09 -0.94 0.23 0.00 0.00 176.35 175.81 1gkf s SER 86 N -2.04 4.07 0.26 2.29 1.04 -1.26 -4.74 113.70 113.32 1gkf s SER 86 Ca 0.71 1.74 -0.02 0.00 0.48 0.00 0.00 55.95 58.87 1gkf s SER 86 Cb -0.24 -2.42 0.52 0.00 0.10 0.00 0.00 66.02 63.99 1gkf s SER 86 CO 0.33 -2.30 1.76 -0.65 0.98 0.00 0.00 173.24 173.36 1gkf h PRO 87 N -1.31 0.58 -0.40 4.02 0.11 -1.98 -0.22 132.00 132.80 1gkf h PRO 87 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1gkf h PRO 87 Cb 1.25 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1gkf h PRO 87 CO 0.52 0.39 0.21 0.93 -0.21 0.00 0.00 178.00 179.83 1gkf h GLU 88 N 0.60 0.56 -0.34 1.05 4.39 -2.00 -1.23 114.58 117.61 1gkf h GLU 88 Ca 0.45 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 60.01 1gkf h GLU 88 Cb 0.64 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1gkf h GLU 88 CO -0.36 0.47 -0.08 -0.44 -1.16 0.00 0.00 179.01 177.43 1gkf h ASP 89 N 0.51 0.67 -0.57 1.42 3.32 -1.78 -2.98 116.42 117.01 1gkf h ASP 89 Ca 0.14 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 56.86 1gkf h ASP 89 Cb 0.08 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1gkf h ASP 89 CO -0.02 0.88 0.37 -0.03 -1.72 0.00 0.00 179.24 178.72 1gkf h MET 90 N 0.45 0.61 -0.23 3.56 4.05 -0.90 -1.95 114.93 120.52 1gkf h MET 90 Ca 0.09 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.50 1gkf h MET 90 Cb 0.58 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 1gkf h MET 90 CO 0.03 0.40 0.16 0.77 0.23 0.00 0.00 176.91 178.51 1gkf h SER 91 N 0.63 0.16 0.01 1.39 0.02 -1.07 0.14 113.55 114.84 1gkf h SER 91 Ca 0.23 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1gkf h SER 91 Cb 0.13 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1gkf h SER 91 CO -0.06 0.11 -0.01 0.40 -1.14 0.00 0.00 176.83 176.13 1gkf h ILE 92 N 0.18 1.12 -0.27 3.27 2.04 -1.37 0.55 117.51 123.05 1gkf h ILE 92 Ca 0.10 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 1gkf h ILE 92 Cb 0.17 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1gkf h ILE 92 CO -0.02 0.11 -0.17 -0.07 0.00 0.00 0.00 178.15 178.00 1gkf h LEU 93 N -0.20 0.61 -0.32 1.44 3.38 -1.50 -2.42 115.31 116.30 1gkf h LEU 93 Ca -0.00 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1gkf h LEU 93 Cb 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1gkf h LEU 93 CO 0.00 0.91 0.06 -0.61 0.09 0.00 0.00 178.44 178.89 1gkf h GLN 94 N 0.31 0.53 -0.66 1.13 5.75 -0.79 -1.84 115.11 119.54 1gkf h GLN 94 Ca 0.05 -0.14 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 1gkf h GLN 94 Cb 0.70 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.14 1gkf h GLN 94 CO 0.05 0.61 0.40 0.78 -2.65 0.00 0.00 178.83 178.02 1gkf h GLY 95 N 0.37 0.95 0.87 2.39 0.00 -0.90 -0.19 103.07 106.56 1gkf h GLY 95 Ca 0.10 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1gkf h GLY 95 CO 0.00 0.23 0.01 -1.82 0.00 0.00 0.00 176.54 174.96 1gkf h TYR 96 N 0.77 0.01 -0.61 5.60 5.03 -1.35 -0.54 116.97 125.88 1gkf h TYR 96 Ca 0.27 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.60 1gkf h TYR 96 Cb 0.06 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.32 1gkf h TYR 96 CO -0.06 -0.00 0.39 0.00 -1.32 0.00 0.00 178.16 177.18 1gkf h ALA 97 N 1.07 0.78 -0.53 1.82 0.00 -1.15 -1.27 119.26 119.98 1gkf h ALA 97 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1gkf h ALA 97 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1gkf h ALA 97 CO -0.07 0.18 0.12 -0.44 0.00 0.00 0.00 179.25 179.04 1gkf h ASP 98 N 0.80 0.77 -0.28 0.00 3.32 -0.68 -0.75 116.42 119.60 1gkf h ASP 98 Ca 0.23 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1gkf h ASP 98 Cb -0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1gkf h ASP 98 CO -0.06 0.76 -0.17 1.23 -1.72 0.00 0.00 179.24 179.28 1gkf h GLY 99 N 0.96 0.66 0.46 2.75 0.00 -0.85 -1.18 103.07 105.88 1gkf h GLY 99 Ca 0.17 -0.61 0.09 0.00 0.00 0.00 0.00 47.33 46.98 1gkf h GLY 99 CO 0.00 0.56 0.26 -0.33 0.00 0.00 0.00 176.54 177.03 1gkf h MET 100 N 0.34 0.46 -0.14 4.80 2.86 -0.90 -2.71 114.93 119.65 1gkf h MET 100 Ca 0.06 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.55 1gkf h MET 100 Cb 0.69 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1gkf h MET 100 CO 0.05 0.30 -0.43 -0.91 1.06 0.00 0.00 176.91 176.98 1gkf h ASN 101 N 0.47 0.33 -0.65 1.22 2.35 -0.90 -0.32 115.58 118.08 1gkf h ASN 101 Ca 0.30 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1gkf h ASN 101 Cb 0.34 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1gkf h ASN 101 CO -0.27 0.73 0.43 0.00 -1.65 0.00 0.00 177.43 176.67 1gkf h ALA 102 N 1.29 0.83 -0.16 -0.83 0.00 -0.90 0.11 119.26 119.60 1gkf h ALA 102 Ca 0.02 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1gkf h ALA 102 Cb 0.87 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1gkf h ALA 102 CO 0.07 0.25 -0.62 2.35 0.00 0.00 0.00 179.25 181.31 1gkf h TRP 103 N 0.88 0.92 -0.78 0.00 2.91 -1.26 -2.87 115.95 115.76 1gkf h TRP 103 Ca 0.24 -0.39 0.06 0.00 1.13 0.00 0.00 58.89 59.94 1gkf h TRP 103 Cb -0.10 -0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 28.35 1gkf h TRP 103 CO -0.03 1.20 0.46 0.82 -1.03 0.00 0.00 178.44 179.86 1gkf h ILE 104 N 0.39 1.00 -0.69 2.65 2.04 -0.81 0.19 117.51 122.27 1gkf h ILE 104 Ca -0.03 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1gkf h ILE 104 Cb 1.25 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1gkf h ILE 104 CO 0.13 0.15 0.28 0.44 0.00 0.00 0.00 178.15 179.15 1gkf h ASP 105 N 0.83 0.93 -0.61 1.72 3.32 -0.80 -0.36 116.42 121.47 1gkf h ASP 105 Ca 0.35 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1gkf h ASP 105 Cb 0.20 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1gkf h ASP 105 CO -0.19 0.83 0.26 0.11 -1.72 0.00 0.00 179.24 178.53 1gkf h LYS 106 N 1.00 0.90 -0.51 3.56 1.57 -1.01 -1.50 116.57 120.57 1gkf h LYS 106 Ca 0.23 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1gkf h LYS 106 Cb 0.19 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1gkf h LYS 106 CO -0.02 0.75 0.30 0.28 -0.57 0.00 0.00 179.45 180.20 1gkf h VAL 107 N 0.84 1.05 0.00 0.50 2.07 -0.37 -1.93 116.25 118.41 1gkf h VAL 107 Ca 0.20 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1gkf h VAL 107 Cb 0.18 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1gkf h VAL 107 CO -0.02 0.11 0.00 0.78 0.02 0.00 0.00 177.57 178.46 1gkf h ASN 108 N 0.60 0.00 0.73 0.57 -0.26 -0.94 -1.58 115.58 114.70 1gkf h ASN 108 Ca 0.21 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.70 1gkf h ASN 108 Cb 0.03 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 1gkf h ASN 108 CO -0.10 0.00 -1.37 0.74 -1.06 0.00 0.00 177.43 175.64 1gkf h THR 109 N 0.00 1.26 -2.08 2.81 2.02 -0.71 -3.39 112.91 112.82 1gkf h THR 109 Ca 0.00 -3.05 -0.54 0.00 0.77 0.00 0.00 66.41 63.59 1gkf h THR 109 Cb 0.68 2.62 -0.40 0.00 -1.74 0.00 0.00 68.15 69.31 1gkf h THR 109 CO 0.00 0.72 -0.99 0.59 0.37 0.00 0.00 175.52 176.21 1gkf n ASN 110 N -3.19 1.66 0.22 4.18 4.13 -0.78 -4.94 115.26 116.54 1gkf n ASN 110 Ca -0.09 -3.08 0.08 0.00 1.68 0.00 0.00 54.58 53.17 1gkf n ASN 110 Cb 1.00 -0.62 0.53 0.00 -1.54 0.00 0.00 39.78 39.15 1gkf n ASN 110 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1gkf h PRO 111 N 3.51 0.00 -0.10 3.52 0.13 -1.50 -1.26 132.00 136.29 1gkf h PRO 111 Ca 0.11 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.27 1gkf h PRO 111 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1gkf h PRO 111 CO 0.59 0.24 0.11 1.05 -0.23 0.00 0.00 178.00 179.76 1gkf h GLU 112 N 0.00 0.00 0.00 0.86 9.09 -1.92 -2.63 114.58 119.99 1gkf h GLU 112 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1gkf h GLU 112 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 1gkf h GLU 112 CO 0.03 0.00 -0.87 0.25 0.05 0.00 0.00 179.01 178.47 1gkf n THR 113 N -3.81 0.00 0.40 -1.06 -2.24 -1.02 -4.87 114.28 101.68 1gkf n THR 113 Ca -0.01 -0.04 0.06 0.00 -2.27 0.00 0.00 64.05 61.80 1gkf n THR 113 Cb 0.21 0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 68.88 1gkf n THR 113 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gkf n LEU 114 N -1.38 0.40 -4.65 3.22 4.77 -0.51 -4.95 117.00 113.89 1gkf n LEU 114 Ca 0.00 -0.35 -0.43 0.00 -0.03 0.00 0.00 56.01 55.20 1gkf n LEU 114 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1gkf n LEU 114 CO 0.00 0.10 1.10 -0.22 -1.33 0.00 0.00 177.39 177.03 1gkf s LEU 115 N -2.96 4.12 0.25 2.23 2.96 -1.00 -4.88 118.68 119.40 1gkf s LEU 115 Ca 0.02 1.60 -0.30 0.00 -0.22 0.00 0.00 54.13 55.23 1gkf s LEU 115 Cb 0.09 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 43.10 1gkf s LEU 115 CO 0.50 -0.82 1.15 -2.65 -1.32 0.00 0.00 176.35 173.21 1gkf n PRO 116 N 6.75 1.48 -0.23 0.98 -0.02 -1.26 -4.83 135.00 137.87 1gkf n PRO 116 Ca 0.14 0.52 0.17 0.00 -2.02 0.00 0.00 63.50 62.31 1gkf n PRO 116 Cb 0.45 -2.00 0.48 0.00 -0.02 0.00 0.00 33.50 32.42 1gkf n PRO 116 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1gkf h LYS 117 N 2.84 0.45 0.00 -0.52 3.64 -1.98 -1.58 116.57 119.42 1gkf h LYS 117 Ca -0.42 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1gkf h LYS 117 Cb 1.32 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1gkf h LYS 117 CO 0.66 0.30 -0.01 1.96 -2.27 0.00 0.00 179.45 180.09 1gkf h GLN 118 N 0.46 0.00 -0.39 1.90 7.50 -1.99 -0.03 115.11 122.56 1gkf h GLN 118 Ca 0.44 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.53 1gkf h GLN 118 Cb 1.00 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.51 1gkf h GLN 118 CO -0.17 0.01 0.00 0.74 -1.50 0.00 0.00 178.83 177.91 1gkf h PHE 119 N 0.00 0.65 -0.27 2.96 0.04 -1.55 -0.23 116.94 118.54 1gkf h PHE 119 Ca -0.00 -0.07 -0.12 0.00 2.80 0.00 0.00 57.97 60.57 1gkf h PHE 119 Cb 0.02 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 1gkf h PHE 119 CO 0.00 0.62 -0.31 -0.91 -0.60 0.00 0.00 178.31 177.11 1gkf h ASN 120 N 0.59 0.74 -0.48 2.17 2.35 -1.16 0.97 115.58 120.76 1gkf h ASN 120 Ca 0.12 -0.49 0.02 0.00 -0.55 0.00 0.00 56.30 55.41 1gkf h ASN 120 Cb 0.37 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1gkf h ASN 120 CO 0.01 1.08 0.28 0.74 -1.65 0.00 0.00 177.43 177.89 1gkf h THR 121 N 0.42 1.04 -0.00 2.81 2.02 -1.03 -2.59 112.91 115.57 1gkf h THR 121 Ca 0.04 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1gkf h THR 121 Cb 0.89 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1gkf h THR 121 CO 0.08 0.10 -0.24 0.49 0.37 0.00 0.00 175.52 176.31 1gkf n PHE 122 N -4.83 0.00 -2.55 3.16 3.01 -0.11 -4.98 117.46 111.15 1gkf n PHE 122 Ca 0.03 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.44 1gkf n PHE 122 Cb 0.08 -0.19 0.01 0.00 -0.01 0.00 0.00 39.48 39.37 1gkf n PHE 122 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gkf n GLY 123 N 1.36 0.54 3.66 1.37 0.00 0.24 -4.95 105.19 107.41 1gkf n GLY 123 Ca 0.11 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1gkf n GLY 123 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gkf s PHE 124 N -2.84 0.38 0.12 1.61 -0.71 -0.61 -5.05 117.98 110.88 1gkf s PHE 124 Ca 0.09 -0.79 0.08 0.00 -1.04 0.00 0.00 56.93 55.27 1gkf s PHE 124 Cb -0.04 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 42.08 1gkf s PHE 124 CO 0.11 -1.19 -0.20 0.95 -1.34 0.00 0.00 175.22 173.55 1gkf s THR 125 N -3.43 1.74 0.33 -4.49 -4.23 -1.26 -4.47 115.64 99.83 1gkf s THR 125 Ca 0.21 -1.68 -0.28 0.00 -1.18 0.00 0.00 61.69 58.77 1gkf s THR 125 Cb -0.02 -1.66 -0.09 0.00 1.34 0.00 0.00 72.50 72.07 1gkf s THR 125 CO 0.12 -0.16 1.12 -2.16 -0.54 0.00 0.00 174.62 173.00 1gkf s PRO 126 N -2.23 4.41 0.31 3.99 0.04 -1.26 -5.06 135.00 135.19 1gkf s PRO 126 Ca 0.10 1.80 0.08 0.00 0.04 0.00 0.00 61.00 63.02 1gkf s PRO 126 Cb -0.08 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1gkf s PRO 126 CO 0.05 0.01 0.13 0.15 0.04 0.00 0.00 177.00 177.38 1gkf s LYS 127 N -1.83 2.48 0.98 4.56 1.02 -1.26 -4.99 119.74 120.70 1gkf s LYS 127 Ca 0.50 -1.41 -0.11 0.00 0.02 0.00 0.00 55.97 54.96 1gkf s LYS 127 Cb -0.31 -2.27 0.18 0.00 -0.52 0.00 0.00 37.83 34.92 1gkf s LYS 127 CO 0.39 0.21 1.09 1.03 -0.92 0.00 0.00 175.35 177.16 1gkf s ARG 128 N -3.82 0.52 0.12 1.68 0.52 -1.26 -5.05 118.95 111.65 1gkf s ARG 128 Ca 0.36 1.13 0.08 0.00 -0.52 0.00 0.00 55.73 56.78 1gkf s ARG 128 Cb -0.05 -1.70 -0.04 0.00 0.52 0.00 0.00 34.95 33.68 1gkf s ARG 128 CO 0.23 -2.84 -0.12 -1.58 0.02 0.00 0.00 175.30 171.01 1gkf s TRP 129 N -2.67 2.67 0.34 -0.53 0.52 -1.26 -5.10 118.94 112.92 1gkf s TRP 129 Ca 0.66 -0.19 0.06 0.00 0.02 0.00 0.00 56.10 56.65 1gkf s TRP 129 Cb -0.22 -1.39 -0.07 0.00 -1.15 0.00 0.00 33.47 30.64 1gkf s TRP 129 CO 0.60 0.42 -0.01 -1.83 0.02 0.00 0.00 176.95 176.16 1gkf s GLU 130 N -2.26 1.75 0.29 4.98 -1.05 -1.26 -4.73 118.70 116.41 1gkf s GLU 130 Ca 0.21 -1.95 0.03 0.00 -0.15 0.00 0.00 54.97 53.11 1gkf s GLU 130 Cb -0.11 -1.29 0.69 0.00 -0.44 0.00 0.00 34.13 32.98 1gkf s GLU 130 CO 0.13 -0.05 1.72 -1.35 0.95 0.00 0.00 175.26 176.66 1gkf h PRO 131 N 2.03 0.48 -0.88 -4.83 0.11 -1.93 -0.24 132.00 126.74 1gkf h PRO 131 Ca -0.42 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.72 1gkf h PRO 131 Cb 1.24 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1gkf h PRO 131 CO 0.73 0.32 0.56 0.35 -0.21 0.00 0.00 178.00 179.74 1gkf h PHE 132 N 0.49 1.04 -0.52 0.65 3.57 -1.96 -0.99 116.94 119.22 1gkf h PHE 132 Ca 0.54 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 62.02 1gkf h PHE 132 Cb 0.96 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1gkf h PHE 132 CO -0.11 0.55 0.11 -0.44 -2.23 0.00 0.00 178.31 176.19 1gkf h ASP 133 N 1.03 0.80 -0.30 0.41 3.32 -1.45 0.73 116.42 120.97 1gkf h ASP 133 Ca 0.38 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1gkf h ASP 133 Cb 0.13 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1gkf h ASP 133 CO -0.16 0.84 0.12 0.58 -1.72 0.00 0.00 179.24 178.90 1gkf h VAL 134 N 0.72 1.18 -0.61 -1.35 2.07 -1.16 -2.36 116.25 114.75 1gkf h VAL 134 Ca 0.16 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1gkf h VAL 134 Cb 0.37 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1gkf h VAL 134 CO 0.01 0.19 0.33 0.00 0.02 0.00 0.00 177.57 178.12 1gkf h ALA 135 N 0.96 0.80 0.00 1.67 0.00 -1.02 -2.52 119.26 119.15 1gkf h ALA 135 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1gkf h ALA 135 Cb 0.19 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1gkf h ALA 135 CO -0.01 -0.00 -0.03 0.52 0.00 0.00 0.00 179.25 179.73 1gkf h MET 136 N 0.62 0.00 -0.08 0.00 2.07 -0.56 -1.92 114.93 115.05 1gkf h MET 136 Ca 0.27 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.91 1gkf h MET 136 Cb 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.88 1gkf h MET 136 CO -0.17 0.03 0.03 0.82 1.07 0.00 0.00 176.91 178.69 1gkf h ILE 137 N 0.00 0.98 -0.39 -1.22 1.08 -0.97 -1.43 117.51 115.57 1gkf h ILE 137 Ca -0.00 -0.03 -0.08 0.00 -0.39 0.00 0.00 64.86 64.37 1gkf h ILE 137 Cb 0.47 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 1gkf h ILE 137 CO 0.00 0.01 -0.06 0.15 -0.69 0.00 0.00 178.15 177.57 1gkf h PHE 138 N 0.07 0.81 -0.16 1.37 3.57 -1.49 -2.45 116.94 118.66 1gkf h PHE 138 Ca 0.03 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1gkf h PHE 138 Cb 0.02 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1gkf h PHE 138 CO -0.09 0.85 0.10 0.28 -2.23 0.00 0.00 178.31 177.21 1gkf h VAL 139 N 0.54 1.05 0.00 1.41 2.07 -1.18 -2.43 116.25 117.71 1gkf h VAL 139 Ca 0.10 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1gkf h VAL 139 Cb 0.56 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1gkf h VAL 139 CO 0.03 0.05 -0.39 1.23 0.02 0.00 0.00 177.57 178.51 1gkf h GLY 140 N 0.21 0.00 0.00 2.17 0.00 -1.32 -0.65 103.07 103.48 1gkf h GLY 140 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1gkf h GLY 140 CO -0.01 0.00 -0.78 -1.30 0.00 0.00 0.00 176.54 174.45 1gkf n THR 141 N -4.02 0.00 0.00 4.70 -2.24 -0.92 -4.26 114.28 107.55 1gkf n THR 141 Ca -0.02 -0.23 -0.03 0.00 -2.27 0.00 0.00 64.05 61.50 1gkf n THR 141 Cb 0.43 0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 69.48 1gkf n THR 141 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1gkf n MET 142 N -1.42 0.17 -0.06 -0.78 0.00 -0.92 -4.43 117.12 109.67 1gkf n MET 142 Ca 0.01 0.07 -0.11 0.00 0.00 0.00 0.00 57.70 57.67 1gkf n MET 142 Cb 0.21 -0.78 -0.05 0.00 0.00 0.00 0.00 33.22 32.61 1gkf n MET 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1gkf h ALA 143 N -0.35 0.24 0.00 -5.12 0.00 -1.45 0.13 119.26 112.72 1gkf h ALA 143 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1gkf h ALA 143 Cb 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1gkf h ALA 143 CO 0.00 -0.10 -0.09 -0.91 0.00 0.00 0.00 179.25 178.15 1gkf h ASN 144 N 0.11 0.00 0.08 0.00 2.35 -1.32 1.08 115.58 117.88 1gkf h ASN 144 Ca 0.06 -0.01 -0.36 0.00 -0.55 0.00 0.00 56.30 55.43 1gkf h ASN 144 Cb 0.28 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1gkf h ASN 144 CO 0.00 0.01 -2.05 -1.14 -1.65 0.00 0.00 177.43 172.60 1gkf n ARG 145 N -2.61 0.71 -0.06 0.81 3.00 -1.18 -4.22 116.66 113.11 1gkf n ARG 145 Ca 0.05 0.27 0.02 0.00 -0.00 0.00 0.00 57.85 58.19 1gkf n ARG 145 Cb 0.48 -1.66 0.06 0.00 0.00 0.00 0.00 32.46 31.33 1gkf n ARG 145 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1gkf n PHE 146 N -3.56 0.16 -1.92 -0.14 3.01 0.41 -4.69 117.46 110.73 1gkf n PHE 146 Ca -0.36 -0.43 0.01 0.00 1.01 0.00 0.00 57.45 57.67 1gkf n PHE 146 Cb 0.99 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 40.44 1gkf n PHE 146 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1gkf n SER 147 N -0.05 0.17 -2.89 4.37 2.88 0.37 -4.88 113.62 113.58 1gkf n SER 147 Ca 0.04 -2.06 -0.23 0.00 -1.33 0.00 0.00 58.87 55.29 1gkf n SER 147 Cb 0.29 -0.21 -0.02 0.00 -0.75 0.00 0.00 64.21 63.52 1gkf n SER 147 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1gkf n ASP 148 N -0.10 3.34 -4.30 -3.46 2.03 -1.08 -4.91 116.55 108.06 1gkf n ASP 148 Ca 0.01 -3.43 -0.36 0.00 0.52 0.00 0.00 54.79 51.53 1gkf n ASP 148 Cb 0.69 -0.55 -0.13 0.00 -0.72 0.00 0.00 41.12 40.40 1gkf n ASP 148 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1gkf s SER 149 N -3.20 4.68 0.00 1.67 0.01 -1.26 -5.00 113.70 110.60 1gkf s SER 149 Ca 0.45 -0.66 -0.11 0.00 1.31 0.00 0.00 55.95 56.93 1gkf s SER 149 Cb 0.34 -1.78 0.01 0.00 0.21 0.00 0.00 66.02 64.80 1gkf s SER 149 CO -0.12 -0.12 0.22 0.28 0.41 0.00 0.00 173.24 173.91 1gkf s THR 150 N 1.44 0.08 -0.06 1.44 -1.32 -1.26 -5.04 115.64 110.91 1gkf s THR 150 Ca 0.03 -0.62 0.23 0.00 -1.21 0.00 0.00 61.69 60.11 1gkf s THR 150 Cb -0.16 -0.57 0.44 0.00 -1.51 0.00 0.00 72.50 70.70 1gkf s THR 150 CO -0.01 -0.34 1.17 -1.54 -2.21 0.00 0.00 174.62 171.69 1gkf n SER 151 N 1.28 1.25 0.01 8.08 3.41 -1.26 -4.95 113.62 121.44 1gkf n SER 151 Ca -0.22 -2.35 0.01 0.00 -0.26 0.00 0.00 58.87 56.05 1gkf n SER 151 Cb 0.56 -0.36 0.35 0.00 -0.26 0.00 0.00 64.21 64.50 1gkf n SER 151 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1gkf h GLU 152 N 1.17 0.51 -0.36 4.33 5.08 -1.98 0.15 114.58 123.48 1gkf h GLU 152 Ca -0.17 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 1gkf h GLU 152 Cb 1.69 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 1gkf h GLU 152 CO 0.10 0.47 -0.10 0.82 -1.00 0.00 0.00 179.01 179.31 1gkf h ILE 153 N 0.51 1.28 -0.68 3.13 2.04 -2.00 -0.66 117.51 121.13 1gkf h ILE 153 Ca 0.12 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 1gkf h ILE 153 Cb 0.19 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1gkf h ILE 153 CO -0.00 0.39 0.24 0.44 0.00 0.00 0.00 178.15 179.21 1gkf h ASP 154 N 0.51 0.97 -0.48 1.72 3.32 -1.77 -1.93 116.42 118.76 1gkf h ASP 154 Ca 0.09 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 56.98 1gkf h ASP 154 Cb 0.62 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 1gkf h ASP 154 CO 0.04 0.90 0.26 0.78 -1.72 0.00 0.00 179.24 179.50 1gkf h ASN 155 N 0.98 0.39 -0.35 6.45 2.35 -0.46 -0.27 115.58 124.67 1gkf h ASN 155 Ca 0.22 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1gkf h ASN 155 Cb 0.26 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1gkf h ASN 155 CO -0.01 0.27 0.10 0.25 -1.65 0.00 0.00 177.43 176.39 1gkf h LEU 156 N 0.51 0.57 -0.43 1.61 5.85 -0.68 -0.49 115.31 122.25 1gkf h LEU 156 Ca 0.21 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 1gkf h LEU 156 Cb 0.09 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1gkf h LEU 156 CO -0.13 0.57 -0.24 0.00 -0.34 0.00 0.00 178.44 178.30 1gkf h ALA 157 N 1.51 0.61 -0.32 1.25 0.00 -0.62 0.61 119.26 122.29 1gkf h ALA 157 Ca 0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1gkf h ALA 157 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1gkf h ALA 157 CO -0.00 0.61 0.18 1.25 0.00 0.00 0.00 179.25 181.28 1gkf h LEU 158 N 0.75 0.40 -0.82 0.00 5.85 -0.77 -1.47 115.31 119.24 1gkf h LEU 158 Ca 0.09 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1gkf h LEU 158 Cb 0.82 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1gkf h LEU 158 CO 0.07 0.37 0.54 0.25 -0.34 0.00 0.00 178.44 179.33 1gkf h LEU 159 N 0.40 0.94 -0.56 2.25 5.85 -0.77 0.25 115.31 123.66 1gkf h LEU 159 Ca 0.11 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1gkf h LEU 159 Cb 0.05 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1gkf h LEU 159 CO -0.02 0.68 0.21 0.74 -0.34 0.00 0.00 178.44 179.71 1gkf h THR 160 N 1.11 1.23 -0.62 1.05 2.02 -0.66 -0.34 112.91 116.69 1gkf h THR 160 Ca 0.30 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 1gkf h THR 160 Cb -0.11 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1gkf h THR 160 CO -0.07 0.28 0.06 0.00 0.37 0.00 0.00 175.52 176.15 1gkf h ALA 161 N 1.06 0.83 -0.55 6.16 0.00 -0.77 -0.64 119.26 125.37 1gkf h ALA 161 Ca 0.19 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1gkf h ALA 161 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1gkf h ALA 161 CO -0.01 0.63 -0.04 -0.07 0.00 0.00 0.00 179.25 179.76 1gkf h LEU 162 N 0.97 0.98 -0.91 0.00 3.38 -0.64 -1.48 115.31 117.60 1gkf h LEU 162 Ca 0.18 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1gkf h LEU 162 Cb 0.49 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1gkf h LEU 162 CO 0.02 1.07 -0.45 0.11 0.09 0.00 0.00 178.44 179.28 1gkf h LYS 163 N 0.87 0.21 -0.42 1.13 1.57 -0.80 0.42 116.57 119.55 1gkf h LYS 163 Ca 0.15 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1gkf h LYS 163 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1gkf h LYS 163 CO 0.04 0.62 -0.32 0.22 -0.57 0.00 0.00 179.45 179.44 1gkf h ASP 164 N 0.18 1.01 0.01 0.86 3.58 -0.87 0.24 116.42 121.42 1gkf h ASP 164 Ca 0.01 -0.43 -0.15 0.00 0.42 0.00 0.00 57.03 56.88 1gkf h ASP 164 Cb 0.86 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 41.64 1gkf h ASP 164 CO 0.07 1.23 -0.59 0.50 -2.88 0.00 0.00 179.24 177.57 1gkf h LYS 165 N 0.80 0.37 -0.01 0.28 3.64 -1.01 -3.39 116.57 117.26 1gkf h LYS 165 Ca 0.08 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1gkf h LYS 165 Cb 0.91 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1gkf h LYS 165 CO 0.08 1.10 -0.30 0.66 -2.27 0.00 0.00 179.45 178.73 1gkf n TYR 166 N -4.24 0.00 0.00 1.91 4.01 0.12 -5.08 117.16 113.88 1gkf n TYR 166 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1gkf n TYR 166 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 1gkf n TYR 166 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gkf n GLY 167 N 1.02 1.05 0.06 2.72 0.00 0.84 -4.24 105.19 106.63 1gkf n GLY 167 Ca 0.04 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 1gkf n GLY 167 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gkf h VAL 168 N 0.00 1.12 0.05 1.61 2.07 -1.91 0.13 116.25 119.31 1gkf h VAL 168 Ca 0.00 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1gkf h VAL 168 Cb 0.00 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1gkf h VAL 168 CO 0.00 0.11 -0.02 -1.28 0.02 0.00 0.00 177.57 176.39 1gkf h SER 169 N -0.21 -0.06 -0.36 0.57 0.87 -1.94 -2.41 113.55 110.02 1gkf h SER 169 Ca -0.00 -0.48 -0.09 0.00 -1.23 0.00 0.00 61.79 59.99 1gkf h SER 169 Cb 0.20 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1gkf h SER 169 CO 0.00 0.47 -0.08 -0.61 -0.53 0.00 0.00 176.83 176.08 1gkf h GLN 170 N -0.61 0.78 -0.74 2.24 4.15 -1.74 -1.58 115.11 117.61 1gkf h GLN 170 Ca -0.01 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.14 1gkf h GLN 170 Cb 0.53 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 1gkf h GLN 170 CO 0.01 0.84 0.37 0.78 -1.93 0.00 0.00 178.83 178.91 1gkf h GLY 171 N 0.97 1.14 1.04 2.39 0.00 -0.76 0.16 103.07 108.00 1gkf h GLY 171 Ca 0.13 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1gkf h GLY 171 CO 0.03 0.52 0.22 1.98 0.00 0.00 0.00 176.54 179.29 1gkf h MET 172 N 1.04 1.09 -0.32 4.80 1.85 -1.17 -1.19 114.93 121.02 1gkf h MET 172 Ca 0.26 -0.23 -0.13 0.00 -0.61 0.00 0.00 59.70 58.98 1gkf h MET 172 Cb 0.09 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 31.96 1gkf h MET 172 CO -0.04 0.94 -0.33 0.00 -0.40 0.00 0.00 176.91 177.09 1gkf h ALA 173 N 1.10 0.83 -0.39 0.39 0.00 -0.92 -1.52 119.26 118.76 1gkf h ALA 173 Ca 0.23 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1gkf h ALA 173 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1gkf h ALA 173 CO -0.01 0.64 -0.29 0.28 0.00 0.00 0.00 179.25 179.87 1gkf h VAL 174 N 0.59 1.28 -0.86 0.00 2.07 -0.51 -1.67 116.25 117.15 1gkf h VAL 174 Ca 0.06 -1.44 0.04 0.00 0.82 0.00 0.00 66.70 66.18 1gkf h VAL 174 Cb 0.84 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1gkf h VAL 174 CO 0.07 0.48 0.55 0.15 0.02 0.00 0.00 177.57 178.84 1gkf h PHE 175 N 0.70 1.03 0.00 1.57 3.57 -0.84 -0.41 116.94 122.56 1gkf h PHE 175 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1gkf h PHE 175 Cb 0.83 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1gkf h PHE 175 CO 0.05 0.59 0.00 -0.91 -2.23 0.00 0.00 178.31 175.80 1gkf h ASN 176 N 1.06 0.00 0.46 0.41 2.35 -0.78 0.95 115.58 120.02 1gkf h ASN 176 Ca 0.35 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.79 1gkf h ASN 176 Cb 0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1gkf h ASN 176 CO -0.12 0.00 -1.59 -0.61 -1.65 0.00 0.00 177.43 173.46 1gkf h GLN 177 N 0.00 0.18 0.04 0.81 4.15 -0.20 -3.19 115.11 116.90 1gkf h GLN 177 Ca 0.00 -0.31 -0.32 0.00 0.77 0.00 0.00 58.65 58.79 1gkf h GLN 177 Cb 0.39 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 1gkf h GLN 177 CO 0.00 0.99 -1.83 1.28 -1.93 0.00 0.00 178.83 177.34 1gkf n LEU 178 N -3.37 1.37 -3.07 -2.39 4.77 -0.48 -4.57 117.00 109.27 1gkf n LEU 178 Ca -0.17 0.33 -0.19 0.00 -0.03 0.00 0.00 56.01 55.94 1gkf n LEU 178 Cb 1.04 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.90 1gkf n LEU 178 CO 0.48 0.53 -0.12 1.17 -1.33 0.00 0.00 177.39 178.12 1gkf n LYS 179 N -3.16 1.56 -1.66 3.23 3.00 0.31 -5.10 118.16 116.34 1gkf n LYS 179 Ca -0.22 -3.73 -0.39 0.00 -0.00 0.00 0.00 58.31 53.97 1gkf n LYS 179 Cb 1.05 -1.80 0.04 0.00 0.00 0.00 0.00 35.03 34.33 1gkf n LYS 179 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 1gkf n TRP 180 N 0.11 1.35 0.03 5.64 2.14 -1.20 -4.60 117.44 120.91 1gkf n TRP 180 Ca 0.25 0.45 -0.12 0.00 2.07 0.00 0.00 57.50 60.15 1gkf n TRP 180 Cb 0.61 -2.22 -0.09 0.00 -0.81 0.00 0.00 31.31 28.80 1gkf n TRP 180 CO 0.00 0.00 0.00 1.25 2.07 0.00 0.00 177.69 181.01 1gkf h LEU 181 N 0.94 -0.11 -8.28 5.67 6.46 -1.93 -3.46 115.31 114.59 1gkf h LEU 181 Ca -0.49 -0.44 -0.24 0.00 -0.12 0.00 0.00 57.88 56.60 1gkf h LEU 181 Cb 1.34 0.03 -0.18 0.00 -0.73 0.00 0.00 40.66 41.12 1gkf h LEU 181 CO 0.54 0.42 -0.71 0.68 -0.62 0.00 0.00 178.44 178.75 1gkf s VAL 182 N -3.87 0.57 -0.16 1.05 -7.23 -1.26 -5.14 120.40 104.35 1gkf s VAL 182 Ca -0.15 -1.50 -0.02 0.00 -1.81 0.00 0.00 61.98 58.50 1gkf s VAL 182 Cb 0.01 -1.13 0.05 0.00 0.56 0.00 0.00 36.38 35.87 1gkf s VAL 182 CO 0.59 -0.64 0.01 0.21 -0.31 0.00 0.00 175.10 174.96 1gkf s ASN 183 N -2.31 2.63 0.37 4.85 3.04 -1.26 -5.03 114.94 117.23 1gkf s ASN 183 Ca 0.00 -0.64 0.27 0.00 0.04 0.00 0.00 52.86 52.53 1gkf s ASN 183 Cb -0.02 -0.63 1.30 0.00 -1.54 0.00 0.00 41.25 40.36 1gkf s ASN 183 CO -0.03 -0.26 1.81 1.55 -3.04 0.00 0.00 177.10 177.13 1gkf h PRO 184 N 8.23 0.00 0.00 0.43 0.13 -2.04 -1.79 132.00 136.97 1gkf h PRO 184 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1gkf h PRO 184 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1gkf h PRO 184 CO 0.33 0.00 0.00 0.77 -0.23 0.00 0.00 178.00 178.87 1gkf h SER 185 N 0.00 0.00 -2.63 1.44 0.02 -2.08 -3.47 113.55 106.84 1gkf h SER 185 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1gkf h SER 185 Cb 0.17 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.78 1gkf h SER 185 CO 0.00 0.00 0.85 0.00 -1.14 0.00 0.00 176.83 176.54 1gkf n ALA 186 N -1.95 1.97 -1.84 3.77 0.00 -0.68 -4.92 120.51 116.86 1gkf n ALA 186 Ca 0.03 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 1gkf n ALA 186 Cb 0.39 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.41 1gkf n ALA 186 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1gkf s PRO 187 N 0.52 4.19 -0.07 0.00 0.02 -1.26 -4.99 135.00 133.41 1gkf s PRO 187 Ca 0.73 2.44 0.05 0.00 0.02 0.00 0.00 61.00 64.25 1gkf s PRO 187 Cb -0.59 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 30.82 1gkf s PRO 187 CO 0.40 -0.60 -0.24 0.95 -0.33 0.00 0.00 177.00 177.18 1gkf s THR 188 N 0.61 2.13 0.25 0.99 -4.23 -1.26 -5.02 115.64 109.12 1gkf s THR 188 Ca 0.67 -1.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 1gkf s THR 188 Cb -0.45 -1.79 0.24 0.00 1.34 0.00 0.00 72.50 71.84 1gkf s THR 188 CO 0.38 0.57 1.85 0.74 -0.54 0.00 0.00 174.62 177.62 1gkf h THR 189 N 5.21 1.01 -3.42 3.99 2.02 -2.04 -3.37 112.91 116.31 1gkf h THR 189 Ca -0.29 -0.34 -0.59 0.00 0.77 0.00 0.00 66.41 65.96 1gkf h THR 189 Cb 1.19 -0.07 -0.10 0.00 -1.74 0.00 0.00 68.15 67.44 1gkf h THR 189 CO 0.48 0.18 -0.09 -0.63 0.37 0.00 0.00 175.52 175.83 1gkf s ILE 190 N -6.04 5.14 0.60 3.11 1.01 -1.26 -5.07 121.20 118.70 1gkf s ILE 190 Ca -0.12 0.92 -0.17 0.00 0.00 0.00 0.00 60.65 61.28 1gkf s ILE 190 Cb 0.20 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1gkf s ILE 190 CO 0.80 0.23 1.09 0.00 0.00 0.00 0.00 174.94 177.06 1gkf s ALA 191 N 1.29 2.64 0.49 9.38 0.00 -1.26 -4.93 121.76 129.37 1gkf s ALA 191 Ca 0.24 0.55 0.26 0.00 0.00 0.00 0.00 51.96 53.02 1gkf s ALA 191 Cb -0.15 -3.29 1.54 0.00 0.00 0.00 0.00 23.12 21.21 1gkf s ALA 191 CO 0.10 -0.94 2.14 -0.24 0.00 0.00 0.00 175.76 176.81 1gkf h VAL 192 N 0.52 0.63 -0.10 0.00 3.04 -1.93 -1.02 116.25 117.39 1gkf h VAL 192 Ca -0.48 -0.32 -0.02 0.00 -1.01 0.00 0.00 66.70 64.87 1gkf h VAL 192 Cb 1.24 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.71 1gkf h VAL 192 CO 0.56 0.08 -0.04 1.56 -1.01 0.00 0.00 177.57 178.71 1gkf h GLN 193 N 0.00 0.15 -0.00 4.17 7.50 -2.04 -3.00 115.11 121.89 1gkf h GLN 193 Ca -0.00 -0.02 -0.06 0.00 0.50 0.00 0.00 58.65 59.07 1gkf h GLN 193 Cb 0.19 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.70 1gkf h GLN 193 CO 0.01 0.21 -0.23 0.93 -1.50 0.00 0.00 178.83 178.25 1gkf h GLU 194 N 0.15 0.16 -1.40 1.46 4.39 -1.55 -3.49 114.58 114.30 1gkf h GLU 194 Ca 0.04 -0.17 0.33 0.00 0.34 0.00 0.00 59.36 59.90 1gkf h GLU 194 Cb 0.18 0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 28.75 1gkf h GLU 194 CO 0.01 0.90 0.85 -1.54 -1.16 0.00 0.00 179.01 178.07 1gkf s SER 195 N -6.28 -0.06 0.07 1.42 1.04 -1.13 -5.10 113.70 103.66 1gkf s SER 195 Ca -0.16 -0.11 -0.08 0.00 0.48 0.00 0.00 55.95 56.08 1gkf s SER 195 Cb 0.01 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 1gkf s SER 195 CO 0.74 -0.26 0.16 0.54 0.98 0.00 0.00 173.24 175.39 1gkf s ASN 196 N -2.92 0.14 0.08 7.02 4.22 -1.26 -4.33 114.94 117.89 1gkf s ASN 196 Ca 0.14 -0.60 -0.30 0.00 -2.14 0.00 0.00 52.86 49.95 1gkf s ASN 196 Cb 0.05 0.30 -0.06 0.00 1.28 0.00 0.00 41.25 42.82 1gkf s ASN 196 CO -0.04 -0.65 1.13 -0.47 -2.04 0.00 0.00 177.10 175.03 1gkf s TYR 197 N -3.40 3.53 -1.02 1.54 5.04 -1.26 -4.94 117.35 116.83 1gkf s TYR 197 Ca 0.02 1.46 0.26 0.00 -2.44 0.00 0.00 57.07 56.37 1gkf s TYR 197 Cb 0.03 -3.32 0.75 0.00 0.35 0.00 0.00 41.96 39.77 1gkf s TYR 197 CO -0.08 -0.84 1.58 -0.35 -1.34 0.00 0.00 175.55 174.52 1gkf n PRO 198 N 3.47 0.02 -3.27 4.97 -0.04 -1.26 -4.88 135.00 134.01 1gkf n PRO 198 Ca 0.07 -0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 63.14 1gkf n PRO 198 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 1gkf n PRO 198 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1gkf s LEU 199 N -2.98 4.47 -0.06 1.53 1.43 -1.26 -5.08 118.68 116.72 1gkf s LEU 199 Ca 0.12 1.25 0.06 0.00 -1.03 0.00 0.00 54.13 54.53 1gkf s LEU 199 Cb 0.18 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 1gkf s LEU 199 CO 0.64 0.21 -0.23 -0.54 0.23 0.00 0.00 176.35 176.66 1gkf s LYS 200 N -1.41 2.53 0.10 1.70 1.02 -1.26 -5.14 119.74 117.28 1gkf s LYS 200 Ca 0.33 -0.86 0.06 0.00 0.02 0.00 0.00 55.97 55.52 1gkf s LYS 200 Cb -0.18 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 1gkf s LYS 200 CO 0.19 0.44 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.95 1gkf s PHE 201 N -0.29 2.86 0.35 3.18 0.40 -1.26 -5.10 117.98 118.12 1gkf s PHE 201 Ca 0.01 -0.09 -0.29 0.00 -0.60 0.00 0.00 56.93 55.96 1gkf s PHE 201 Cb -0.13 -1.49 -0.11 0.00 0.51 0.00 0.00 43.02 41.81 1gkf s PHE 201 CO 0.02 0.45 1.50 1.21 0.70 0.00 0.00 175.22 179.11 1gkf s ASN 202 N -2.26 6.38 -0.10 1.36 3.84 -1.26 -4.93 114.94 117.97 1gkf s ASN 202 Ca 0.24 3.00 0.15 0.00 0.21 0.00 0.00 52.86 56.46 1gkf s ASN 202 Cb -0.11 -2.66 0.34 0.00 -0.55 0.00 0.00 41.25 38.27 1gkf s ASN 202 CO 0.16 -0.86 1.16 0.00 -2.79 0.00 0.00 177.10 174.77 1gkf n GLN 203 N 0.91 0.84 -2.10 0.43 10.64 -1.26 -4.74 117.38 122.11 1gkf n GLN 203 Ca 0.03 -2.48 0.01 0.00 -1.83 0.00 0.00 57.00 52.73 1gkf n GLN 203 Cb 0.39 -0.96 0.04 0.00 -0.86 0.00 0.00 30.24 28.85 1gkf n GLN 203 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1gkf n GLN 204 N -0.54 0.99 -3.83 2.61 10.64 -1.26 -4.95 117.38 121.05 1gkf n GLN 204 Ca 0.12 -2.82 -0.27 0.00 -1.83 0.00 0.00 57.00 52.20 1gkf n GLN 204 Cb 0.82 -0.89 0.03 0.00 -0.86 0.00 0.00 30.24 29.34 1gkf n GLN 204 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1gkf n ASN 205 N -0.11 -3.46 0.04 2.61 5.15 -1.26 -4.85 115.26 113.37 1gkf n ASN 205 Ca 0.08 -0.79 0.09 0.00 -0.60 0.00 0.00 54.58 53.37 1gkf n ASN 205 Cb 0.97 -3.98 0.39 0.00 -0.53 0.00 0.00 39.78 36.62 1gkf n ASN 205 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1gkf n SER 206 N -2.93 0.21 0.31 1.20 7.64 -1.26 -2.65 113.62 116.14 1gkf n SER 206 Ca -0.09 0.55 0.18 0.00 1.01 0.00 0.00 58.87 60.52 1gkf n SER 206 Cb 0.59 -0.59 1.01 0.00 -1.01 0.00 0.00 64.21 64.21 1gkf n SER 206 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1gkf h GLN 207 N 0.00 0.00 -0.22 1.43 -0.00 -2.00 -2.01 115.11 112.31 1gkf h GLN 207 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1gkf h GLN 207 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.80 1gkf h GLN 207 CO 0.00 0.01 0.00 0.25 -0.00 0.00 0.00 178.83 179.09 1gkf n THR 208 N -3.51 1.41 1.33 1.86 -2.24 -1.09 -5.30 114.28 106.75 1gkf n THR 208 Ca -0.03 -1.35 0.11 0.00 -2.27 0.00 0.00 64.05 60.51 1gkf n THR 208 Cb 0.10 0.24 0.63 0.00 -2.10 0.00 0.00 70.33 69.20 1gkf n THR 208 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50