#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk1 h GLU 2 N 0.00 0.34 -0.10 4.33 4.39 -2.06 -1.77 114.58 119.71 3gk1 h GLU 2 Ca 0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3gk1 h GLU 2 Cb 0.00 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3gk1 h GLU 2 CO 0.00 0.35 -0.01 1.25 -1.16 0.00 0.00 179.01 179.44 3gk1 h LEU 3 N 0.34 0.19 -1.18 1.33 6.46 -2.06 -2.03 115.31 118.36 3gk1 h LEU 3 Ca 0.08 -0.34 0.05 0.00 -0.12 0.00 0.00 57.88 57.54 3gk1 h LEU 3 Cb 0.19 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.01 3gk1 h LEU 3 CO 0.00 0.49 0.57 -0.33 -0.62 0.00 0.00 178.44 178.55 3gk1 h GLU 4 N -0.11 1.01 -0.55 1.25 5.08 -1.97 -0.54 114.58 118.74 3gk1 h GLU 4 Ca 0.03 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3gk1 h GLU 4 Cb 0.40 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3gk1 h GLU 4 CO 0.01 0.67 0.30 0.87 -1.00 0.00 0.00 179.01 179.86 3gk1 h LYS 5 N 1.04 0.56 -0.33 2.33 1.57 -1.21 -2.09 116.57 118.44 3gk1 h LYS 5 Ca 0.35 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 3gk1 h LYS 5 Cb 0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3gk1 h LYS 5 CO -0.11 0.37 0.14 0.00 -0.57 0.00 0.00 179.45 179.27 3gk1 h ALA 6 N 1.28 0.42 -0.53 3.86 0.00 -0.63 -0.97 119.26 122.70 3gk1 h ALA 6 Ca 0.24 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3gk1 h ALA 6 Cb 0.12 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3gk1 h ALA 6 CO -0.15 0.01 0.14 0.28 0.00 0.00 0.00 179.25 179.53 3gk1 h VAL 7 N 0.38 0.74 0.00 0.00 2.07 -0.91 -1.49 116.25 117.04 3gk1 h VAL 7 Ca 0.11 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 3gk1 h VAL 7 Cb 0.17 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3gk1 h VAL 7 CO -0.01 0.05 -0.62 -0.37 0.02 0.00 0.00 177.57 176.64 3gk1 h VAL 8 N 0.28 1.21 -0.75 2.57 -1.51 -1.21 -2.82 116.25 114.01 3gk1 h VAL 8 Ca 0.27 -2.32 -0.03 0.00 -1.23 0.00 0.00 66.70 63.38 3gk1 h VAL 8 Cb 0.35 2.34 -0.03 0.00 -2.13 0.00 0.00 31.29 31.81 3gk1 h VAL 8 CO -0.32 0.61 0.34 0.00 -1.23 0.00 0.00 177.57 176.97 3gk1 h ALA 9 N 1.38 0.97 -0.09 5.19 0.00 -0.91 0.18 119.26 125.98 3gk1 h ALA 9 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gk1 h ALA 9 Cb 1.29 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3gk1 h ALA 9 CO 0.08 0.55 0.06 -0.07 0.00 0.00 0.00 179.25 179.87 3gk1 h LEU 10 N 1.07 0.11 -0.13 0.00 3.38 -1.09 -0.74 115.31 117.90 3gk1 h LEU 10 Ca 0.26 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.23 3gk1 h LEU 10 Cb 0.15 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3gk1 h LEU 10 CO -0.03 0.10 -0.03 0.40 0.09 0.00 0.00 178.44 178.96 3gk1 h ILE 11 N 0.11 0.87 -0.47 1.22 2.04 -1.46 -2.83 117.51 116.99 3gk1 h ILE 11 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 3gk1 h ILE 11 Cb 0.00 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3gk1 h ILE 11 CO -0.01 0.00 0.12 -0.78 0.00 0.00 0.00 178.15 177.48 3gk1 h ASP 12 N -0.00 0.70 -0.46 1.72 3.58 -0.68 -2.47 116.42 118.81 3gk1 h ASP 12 Ca 0.06 -0.23 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 3gk1 h ASP 12 Cb 0.10 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 3gk1 h ASP 12 CO -0.13 0.75 0.01 1.62 -2.88 0.00 0.00 179.24 178.60 3gk1 h VAL 13 N 0.62 1.26 -0.99 2.25 3.04 -1.14 -1.11 116.25 120.18 3gk1 h VAL 13 Ca 0.15 -1.04 0.10 0.00 -1.01 0.00 0.00 66.70 64.90 3gk1 h VAL 13 Cb 0.32 1.02 -0.08 0.00 -2.01 0.00 0.00 31.29 30.54 3gk1 h VAL 13 CO 0.00 0.36 0.62 0.15 -1.01 0.00 0.00 177.57 177.69 3gk1 h PHE 14 N 0.66 1.13 0.02 3.17 3.57 -1.39 -2.62 116.94 121.49 3gk1 h PHE 14 Ca 0.13 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.45 3gk1 h PHE 14 Cb 0.49 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3gk1 h PHE 14 CO 0.04 0.49 -0.96 0.45 -2.23 0.00 0.00 178.31 176.09 3gk1 h HIS 15 N 1.02 0.33 -0.22 0.41 3.86 -0.93 0.21 115.15 119.84 3gk1 h HIS 15 Ca 0.47 -0.20 -0.07 0.00 -1.16 0.00 0.00 60.37 59.41 3gk1 h HIS 15 Cb 0.39 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3gk1 h HIS 15 CO -0.01 1.05 -0.17 -0.56 0.86 0.00 0.00 177.93 179.10 3gk1 h GLN 16 N 0.10 0.37 0.14 2.45 3.07 -0.99 -2.84 115.11 117.42 3gk1 h GLN 16 Ca -0.06 -0.11 -0.29 0.00 0.09 0.00 0.00 58.65 58.29 3gk1 h GLN 16 Cb 1.62 -0.04 0.01 0.00 0.08 0.00 0.00 27.48 29.15 3gk1 h GLN 16 CO 0.15 0.54 -1.42 1.88 0.09 0.00 0.00 178.83 180.07 3gk1 h TYR 17 N 0.34 0.55 -0.33 0.06 -1.99 -1.35 -3.38 116.97 110.87 3gk1 h TYR 17 Ca 0.06 -0.40 -0.10 0.00 2.00 0.00 0.00 58.73 60.29 3gk1 h TYR 17 Cb 0.50 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 3gk1 h TYR 17 CO 0.01 1.55 -0.20 0.66 -0.00 0.00 0.00 178.16 180.19 3gk1 h SER 18 N -0.19 0.62 0.19 3.88 4.64 -0.59 -3.00 113.55 119.10 3gk1 h SER 18 Ca -0.29 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3gk1 h SER 18 Cb 1.85 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 3gk1 h SER 18 CO 0.11 0.82 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 3gk1 n GLY 19 N -0.38 -0.90 0.04 -0.77 0.00 -1.07 -4.05 105.19 98.07 3gk1 n GLY 19 Ca 0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3gk1 n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gk1 h ARG 20 N 0.00 0.01 -3.66 1.61 3.08 -1.70 -3.46 114.38 110.26 3gk1 h ARG 20 Ca 0.00 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3gk1 h ARG 20 Cb 0.09 -0.00 -0.18 0.00 0.08 0.00 0.00 29.97 29.96 3gk1 h ARG 20 CO 0.00 0.04 -0.46 -1.21 -1.07 0.00 0.00 179.97 177.28 3gk1 s GLU 21 N -6.06 0.63 5.44 0.04 2.02 -1.26 -5.10 118.70 114.42 3gk1 s GLU 21 Ca -0.13 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.19 3gk1 s GLU 21 Cb 0.06 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.54 3gk1 s GLU 21 CO 0.66 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.18 3gk1 n GLY 22 N 0.77 2.94 3.62 -1.39 0.00 -1.26 -4.53 105.19 105.35 3gk1 n GLY 22 Ca -0.19 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 3gk1 n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gk1 n ASP 23 N 1.79 3.44 0.00 1.61 -0.08 -1.26 -4.84 116.55 117.20 3gk1 n ASP 23 Ca 0.00 0.65 0.11 0.00 -1.51 0.00 0.00 54.79 54.04 3gk1 n ASP 23 Cb 0.00 -1.46 0.55 0.00 2.34 0.00 0.00 41.12 42.55 3gk1 n ASP 23 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3gk1 n LYS 24 N 7.74 0.31 -0.13 -0.67 5.02 -1.26 -2.17 118.16 126.99 3gk1 n LYS 24 Ca 0.26 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.70 3gk1 n LYS 24 Cb 0.36 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 34.01 3gk1 n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3gk1 n HIS 25 N -1.28 0.35 -4.02 2.13 8.25 -1.26 -3.36 115.22 116.03 3gk1 n HIS 25 Ca 0.10 -0.31 -0.10 0.00 -0.26 0.00 0.00 57.72 57.16 3gk1 n HIS 25 Cb 0.17 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.16 3gk1 n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3gk1 s LYS 26 N -1.06 0.42 -0.35 -0.41 1.02 -0.92 -4.35 119.74 114.08 3gk1 s LYS 26 Ca 0.24 -0.76 -0.17 0.00 0.02 0.00 0.00 55.97 55.30 3gk1 s LYS 26 Cb 0.14 0.03 -0.00 0.00 -0.52 0.00 0.00 37.83 37.47 3gk1 s LYS 26 CO 0.19 -0.04 0.47 -0.51 -0.92 0.00 0.00 175.35 174.54 3gk1 s LEU 27 N -1.76 4.40 0.90 3.17 1.43 0.17 -4.61 118.68 122.37 3gk1 s LEU 27 Ca -0.10 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 3gk1 s LEU 27 Cb -0.07 -2.51 0.17 0.00 0.03 0.00 0.00 46.19 43.80 3gk1 s LEU 27 CO -0.02 -0.45 1.25 -1.59 0.23 0.00 0.00 176.35 175.77 3gk1 s LYS 28 N 2.29 1.03 0.22 1.70 -2.85 -1.26 -1.04 119.74 119.83 3gk1 s LYS 28 Ca 0.17 -0.38 -0.08 0.00 -1.00 0.00 0.00 55.97 54.67 3gk1 s LYS 28 Cb -0.16 -1.93 0.27 0.00 -2.06 0.00 0.00 37.83 33.96 3gk1 s LYS 28 CO 0.13 -2.13 1.82 0.87 0.10 0.00 0.00 175.35 176.13 3gk1 h LYS 29 N -1.39 0.72 -0.32 1.78 1.57 -1.97 -1.15 116.57 115.82 3gk1 h LYS 29 Ca -0.44 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.18 3gk1 h LYS 29 Cb 1.26 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3gk1 h LYS 29 CO 0.44 0.48 -0.27 0.66 -0.57 0.00 0.00 179.45 180.19 3gk1 h SER 30 N 0.74 0.66 -0.21 0.86 4.64 -1.98 -0.91 113.55 117.36 3gk1 h SER 30 Ca 0.32 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 3gk1 h SER 30 Cb 0.20 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3gk1 h SER 30 CO -0.19 0.90 -0.07 -0.33 -0.87 0.00 0.00 176.83 176.27 3gk1 h GLU 31 N 0.56 0.41 -0.61 4.77 5.08 -1.82 -2.15 114.58 120.81 3gk1 h GLU 31 Ca 0.07 -0.17 0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3gk1 h GLU 31 Cb 0.75 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 3gk1 h GLU 31 CO 0.06 0.68 0.25 1.25 -1.00 0.00 0.00 179.01 180.24 3gk1 h LEU 32 N 0.12 0.27 -0.58 1.33 6.46 -1.17 -1.53 115.31 120.22 3gk1 h LEU 32 Ca 0.05 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 3gk1 h LEU 32 Cb 0.54 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 3gk1 h LEU 32 CO 0.02 0.17 0.28 0.50 -0.62 0.00 0.00 178.44 178.79 3gk1 h LYS 33 N 0.44 0.84 -0.54 1.25 3.64 -1.06 -2.04 116.57 119.10 3gk1 h LYS 33 Ca 0.30 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 3gk1 h LYS 33 Cb 0.35 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3gk1 h LYS 33 CO -0.28 0.68 -0.04 0.93 -2.27 0.00 0.00 179.45 178.47 3gk1 h GLU 34 N 0.79 0.98 0.10 1.90 4.39 -1.23 -1.20 114.58 120.31 3gk1 h GLU 34 Ca 0.20 -0.34 0.02 0.00 0.34 0.00 0.00 59.36 59.58 3gk1 h GLU 34 Cb 0.12 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 3gk1 h GLU 34 CO -0.02 1.01 -0.22 1.25 -1.16 0.00 0.00 179.01 179.87 3gk1 h LEU 35 N 0.86 -0.61 -0.41 1.33 6.46 -1.07 0.46 115.31 122.32 3gk1 h LEU 35 Ca 0.15 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 3gk1 h LEU 35 Cb 0.59 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 3gk1 h LEU 35 CO 0.04 -0.30 0.27 0.40 -0.62 0.00 0.00 178.44 178.22 3gk1 h ILE 36 N -0.40 1.11 -0.53 4.05 2.04 -1.26 0.14 117.51 122.66 3gk1 h ILE 36 Ca 0.03 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.57 3gk1 h ILE 36 Cb 0.43 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3gk1 h ILE 36 CO -0.13 0.11 -0.07 0.78 0.00 0.00 0.00 178.15 178.84 3gk1 h ASN 37 N 0.55 0.96 0.43 1.72 -0.26 -1.09 -1.80 115.58 116.09 3gk1 h ASN 37 Ca 0.15 -0.29 -0.31 0.00 -0.56 0.00 0.00 56.30 55.29 3gk1 h ASN 37 Cb -0.05 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 36.91 3gk1 h ASN 37 CO -0.03 1.05 -1.73 0.78 -1.06 0.00 0.00 177.43 176.44 3gk1 h ASN 38 N 0.88 0.12 -0.00 5.81 2.35 -0.82 -3.39 115.58 120.52 3gk1 h ASN 38 Ca 0.15 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3gk1 h ASN 38 Cb 0.61 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.94 3gk1 h ASN 38 CO 0.04 1.22 -0.33 -0.62 -1.65 0.00 0.00 177.43 176.09 3gk1 n GLU 39 N -3.18 3.73 -1.40 0.81 -0.58 0.46 -4.63 120.64 115.85 3gk1 n GLU 39 Ca -0.19 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 3gk1 n GLU 39 Cb 1.05 -0.93 0.10 0.00 -0.57 0.00 0.00 31.44 31.09 3gk1 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3gk1 n LEU 40 N -0.95 2.28 0.03 -4.62 4.77 -0.68 -4.88 117.00 112.96 3gk1 n LEU 40 Ca 0.02 -3.25 0.07 0.00 -0.03 0.00 0.00 56.01 52.82 3gk1 n LEU 40 Cb 0.14 -0.19 0.32 0.00 -2.33 0.00 0.00 43.42 41.36 3gk1 n LEU 40 CO 0.15 1.14 0.73 -1.54 -1.33 0.00 0.00 177.39 176.54 3gk1 n SER 41 N -0.43 0.13 -0.00 -1.43 3.41 -1.25 -1.28 113.62 112.78 3gk1 n SER 41 Ca 0.16 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 3gk1 n SER 41 Cb 0.90 -0.56 -0.15 0.00 -0.26 0.00 0.00 64.21 64.14 3gk1 n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3gk1 n HIS 42 N -1.65 0.09 -0.10 7.33 8.25 -1.26 -4.56 115.22 123.32 3gk1 n HIS 42 Ca 0.03 0.03 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 3gk1 n HIS 42 Cb 0.16 -0.55 -0.15 0.00 1.12 0.00 0.00 29.99 30.57 3gk1 n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3gk1 n PHE 43 N -2.30 0.08 -4.34 4.41 3.72 -0.88 -5.00 117.46 113.15 3gk1 n PHE 43 Ca -0.04 0.03 -0.23 0.00 -0.05 0.00 0.00 57.45 57.16 3gk1 n PHE 43 Cb 0.58 -1.01 -0.13 0.00 -0.94 0.00 0.00 39.48 37.97 3gk1 n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3gk1 s LEU 44 N -5.77 2.25 0.24 4.37 1.43 -0.40 -5.12 118.68 115.68 3gk1 s LEU 44 Ca -0.15 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.04 3gk1 s LEU 44 Cb 0.07 -0.79 -0.10 0.00 0.03 0.00 0.00 46.19 45.40 3gk1 s LEU 44 CO 0.78 0.05 1.39 -0.70 0.23 0.00 0.00 176.35 178.10 3gk1 s GLU 45 N -1.64 4.31 0.12 1.70 2.12 -1.26 -4.54 118.70 119.51 3gk1 s GLU 45 Ca 0.04 2.22 -0.35 0.00 0.36 0.00 0.00 54.97 57.24 3gk1 s GLU 45 Cb -0.09 -3.13 -0.16 0.00 0.26 0.00 0.00 34.13 31.00 3gk1 s GLU 45 CO 0.03 -0.36 1.41 -1.91 -0.54 0.00 0.00 175.26 173.89 3gk1 n GLU 46 N 2.38 1.48 -3.02 4.30 2.13 -1.26 -4.93 120.64 121.72 3gk1 n GLU 46 Ca 0.06 0.53 -0.42 0.00 0.66 0.00 0.00 57.16 58.00 3gk1 n GLU 46 Cb 0.41 -2.21 -0.06 0.00 0.27 0.00 0.00 31.44 29.85 3gk1 n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3gk1 s ILE 47 N 0.57 4.85 -0.16 6.31 1.01 -1.26 -4.90 121.20 127.61 3gk1 s ILE 47 Ca 0.82 1.01 0.02 0.00 0.00 0.00 0.00 60.65 62.49 3gk1 s ILE 47 Cb -0.86 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 37.52 3gk1 s ILE 47 CO 0.44 -0.23 0.38 0.29 0.00 0.00 0.00 174.94 175.82 3gk1 n LYS 48 N 6.09 1.86 -4.87 2.79 5.02 -1.26 -5.01 118.16 122.78 3gk1 n LYS 48 Ca 0.02 -0.38 -0.27 0.00 -2.02 0.00 0.00 58.31 55.65 3gk1 n LYS 48 Cb 0.48 -0.87 -0.15 0.00 -0.02 0.00 0.00 35.03 34.48 3gk1 n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gk1 s GLU 49 N -0.50 1.58 0.27 1.97 0.41 -1.26 -5.03 118.70 116.14 3gk1 s GLU 49 Ca 0.01 -0.85 -0.01 0.00 -0.41 0.00 0.00 54.97 53.72 3gk1 s GLU 49 Cb 0.01 -1.61 0.38 0.00 -1.78 0.00 0.00 34.13 31.13 3gk1 s GLU 49 CO 0.04 0.43 1.78 0.37 -0.49 0.00 0.00 175.26 177.39 3gk1 h GLN 50 N 5.27 0.76 0.00 1.61 5.75 -2.00 -2.18 115.11 124.31 3gk1 h GLN 50 Ca -0.41 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 57.88 3gk1 h GLN 50 Cb 1.15 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.60 3gk1 h GLN 50 CO 0.46 0.76 -0.09 1.05 -2.65 0.00 0.00 178.83 178.36 3gk1 h GLU 51 N 0.72 0.00 0.17 1.69 4.11 -1.99 -0.52 114.58 118.76 3gk1 h GLU 51 Ca 0.14 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.32 3gk1 h GLU 51 Cb 0.41 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.68 3gk1 h GLU 51 CO 0.02 0.09 -1.16 0.28 0.07 0.00 0.00 179.01 178.31 3gk1 h VAL 52 N 0.00 1.33 -0.39 -1.06 2.07 -1.83 -1.79 116.25 114.58 3gk1 h VAL 52 Ca -0.00 -2.56 0.08 0.00 0.82 0.00 0.00 66.70 65.04 3gk1 h VAL 52 Cb 0.29 3.05 -0.09 0.00 -1.52 0.00 0.00 31.29 33.01 3gk1 h VAL 52 CO 0.01 0.75 -0.26 0.58 0.02 0.00 0.00 177.57 178.67 3gk1 h VAL 53 N -0.19 0.31 -0.34 2.57 2.07 -1.23 0.23 116.25 119.67 3gk1 h VAL 53 Ca -0.22 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3gk1 h VAL 53 Cb 1.84 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3gk1 h VAL 53 CO 0.17 0.00 0.18 0.44 0.02 0.00 0.00 177.57 178.39 3gk1 h ASP 54 N -0.20 0.29 -0.23 0.57 3.32 -1.14 -1.99 116.42 117.03 3gk1 h ASP 54 Ca 0.18 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 3gk1 h ASP 54 Cb 0.49 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3gk1 h ASP 54 CO -0.51 0.21 -0.24 0.50 -1.72 0.00 0.00 179.24 177.49 3gk1 h LYS 55 N 0.38 0.71 -0.10 3.56 1.63 -1.09 -2.04 116.57 119.61 3gk1 h LYS 55 Ca 0.14 -0.28 -0.02 0.00 -0.85 0.00 0.00 60.65 59.64 3gk1 h LYS 55 Cb 0.03 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 3gk1 h LYS 55 CO -0.08 0.88 0.00 0.28 -3.45 0.00 0.00 179.45 177.08 3gk1 h VAL 56 N 0.62 1.24 -0.91 2.00 2.07 -0.78 -1.95 116.25 118.54 3gk1 h VAL 56 Ca 0.08 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3gk1 h VAL 56 Cb 0.73 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 3gk1 h VAL 56 CO 0.06 0.22 0.51 -0.03 0.02 0.00 0.00 177.57 178.35 3gk1 h MET 57 N -0.08 1.27 -0.91 1.57 1.85 -1.40 -1.88 114.93 115.35 3gk1 h MET 57 Ca 0.03 -0.14 0.04 0.00 -0.61 0.00 0.00 59.70 59.01 3gk1 h MET 57 Cb 0.34 -0.25 -0.05 0.00 0.43 0.00 0.00 31.60 32.07 3gk1 h MET 57 CO 0.00 0.92 0.60 1.49 -0.40 0.00 0.00 176.91 179.52 3gk1 h GLU 58 N 1.28 1.10 -0.30 0.39 4.81 -1.19 -0.34 114.58 120.33 3gk1 h GLU 58 Ca 0.32 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.34 3gk1 h GLU 58 Cb 0.02 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 3gk1 h GLU 58 CO -0.05 0.73 -0.37 1.15 -0.73 0.00 0.00 179.01 179.73 3gk1 h THR 59 N 1.13 1.29 0.00 0.32 2.02 -0.98 -3.28 112.91 113.41 3gk1 h THR 59 Ca 0.36 -1.56 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 3gk1 h THR 59 Cb 0.04 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3gk1 h THR 59 CO -0.11 0.50 -0.20 -0.07 0.37 0.00 0.00 175.52 176.01 3gk1 h LEU 60 N 0.54 0.00 -7.61 2.58 3.38 -0.90 -3.42 115.31 109.87 3gk1 h LEU 60 Ca 0.04 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.30 3gk1 h LEU 60 Cb 0.96 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.60 3gk1 h LEU 60 CO 0.09 0.13 1.94 -0.67 0.09 0.00 0.00 178.44 180.02 3gk1 n ASP 61 N -3.10 4.99 -0.15 -0.43 2.03 -0.18 -4.83 116.55 114.88 3gk1 n ASP 61 Ca 0.03 -2.95 -0.09 0.00 0.52 0.00 0.00 54.79 52.31 3gk1 n ASP 61 Cb 0.58 -1.66 0.06 0.00 -0.72 0.00 0.00 41.12 39.38 3gk1 n ASP 61 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3gk1 h SER 62 N 7.20 0.93 0.09 1.67 0.02 -1.86 -3.12 113.55 118.48 3gk1 h SER 62 Ca 0.41 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3gk1 h SER 62 Cb 0.84 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3gk1 h SER 62 CO 1.42 1.06 -0.22 -0.90 -1.14 0.00 0.00 176.83 177.04 3gk1 n ASP 63 N -4.14 1.59 0.00 3.07 5.68 -1.26 -4.98 116.55 116.50 3gk1 n ASP 63 Ca 0.01 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 53.00 3gk1 n ASP 63 Cb 0.40 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 3gk1 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gk1 n GLY 64 N 1.32 0.41 0.56 6.12 0.00 -1.18 -4.95 105.19 107.47 3gk1 n GLY 64 Ca 0.13 -0.88 0.08 0.00 0.00 0.00 0.00 46.02 45.35 3gk1 n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gk1 n ASP 65 N 1.60 1.65 0.00 1.61 5.75 -1.26 -4.93 116.55 120.97 3gk1 n ASP 65 Ca 0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 3gk1 n ASP 65 Cb 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 3gk1 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gk1 n GLY 66 N 1.06 1.94 3.36 6.12 0.00 -1.26 -5.01 105.19 111.40 3gk1 n GLY 66 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 3gk1 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gk1 s GLU 67 N -0.20 1.44 -0.42 1.61 2.02 -1.26 -4.68 118.70 117.21 3gk1 s GLU 67 Ca 0.00 -1.76 -0.13 0.00 0.02 0.00 0.00 54.97 53.10 3gk1 s GLU 67 Cb 0.00 -0.59 0.04 0.00 0.10 0.00 0.00 34.13 33.68 3gk1 s GLU 67 CO 0.00 -0.17 0.29 0.00 0.02 0.00 0.00 175.26 175.40 3gk1 n ASP 69 N 5.09 0.40 -0.20 0.00 5.68 -1.26 -0.66 116.55 125.60 3gk1 n ASP 69 Ca -0.11 -1.54 -0.08 0.00 -0.50 0.00 0.00 54.79 52.56 3gk1 n ASP 69 Cb 0.45 -0.69 0.02 0.00 -1.14 0.00 0.00 41.12 39.77 3gk1 n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3gk1 h PHE 70 N -1.25 0.93 -0.79 2.11 3.57 -2.00 0.21 116.94 119.73 3gk1 h PHE 70 Ca -0.30 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 3gk1 h PHE 70 Cb 0.92 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 3gk1 h PHE 70 CO 0.00 0.79 0.43 1.96 -2.23 0.00 0.00 178.31 179.26 3gk1 h GLN 71 N 0.81 1.10 -0.38 1.11 1.08 -1.97 -0.76 115.11 116.10 3gk1 h GLN 71 Ca 0.18 -0.13 -0.16 0.00 -1.45 0.00 0.00 58.65 57.10 3gk1 h GLN 71 Cb 0.31 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3gk1 h GLN 71 CO -0.00 0.81 -0.38 0.93 -0.95 0.00 0.00 178.83 179.24 3gk1 h GLU 72 N 1.10 0.90 -0.69 1.46 5.08 -1.81 -2.21 114.58 118.42 3gk1 h GLU 72 Ca 0.28 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3gk1 h GLU 72 Cb 0.04 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3gk1 h GLU 72 CO -0.04 1.12 0.45 0.35 -1.00 0.00 0.00 179.01 179.89 3gk1 h PHE 73 N 0.74 0.86 -0.92 4.33 3.57 -0.61 -1.76 116.94 123.14 3gk1 h PHE 73 Ca 0.06 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.60 3gk1 h PHE 73 Cb 0.96 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 3gk1 h PHE 73 CO 0.06 0.53 0.61 0.52 -2.23 0.00 0.00 178.31 177.80 3gk1 h MET 74 N 0.92 1.21 -0.41 1.11 2.86 -0.95 -0.14 114.93 119.53 3gk1 h MET 74 Ca 0.26 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 3gk1 h MET 74 Cb -0.09 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.29 3gk1 h MET 74 CO -0.06 0.80 -0.16 0.00 1.06 0.00 0.00 176.91 178.55 3gk1 h ALA 75 N 1.43 0.95 -0.14 6.32 0.00 -1.15 -0.81 119.26 125.85 3gk1 h ALA 75 Ca 0.34 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gk1 h ALA 75 Cb -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3gk1 h ALA 75 CO -0.08 0.61 0.07 0.35 0.00 0.00 0.00 179.25 180.21 3gk1 h PHE 76 N 0.69 0.20 -0.37 0.00 3.57 -0.81 -1.89 116.94 118.33 3gk1 h PHE 76 Ca 0.11 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.67 3gk1 h PHE 76 Cb 0.65 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 3gk1 h PHE 76 CO 0.03 0.22 0.00 0.28 -2.23 0.00 0.00 178.31 176.62 3gk1 h VAL 77 N 0.11 0.73 -0.74 1.41 2.07 -0.93 -2.18 116.25 116.73 3gk1 h VAL 77 Ca 0.05 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.60 3gk1 h VAL 77 Cb 0.10 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 3gk1 h VAL 77 CO -0.01 0.02 0.48 0.00 0.02 0.00 0.00 177.57 178.09 3gk1 h ALA 78 N 1.32 1.71 -0.43 1.67 0.00 -0.99 -1.24 119.26 121.30 3gk1 h ALA 78 Ca 0.18 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3gk1 h ALA 78 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3gk1 h ALA 78 CO -0.30 0.17 0.06 0.52 0.00 0.00 0.00 179.25 179.70 3gk1 h MET 79 N 0.75 0.72 -0.30 0.00 2.07 -0.74 -1.81 114.93 115.62 3gk1 h MET 79 Ca 0.32 -0.20 -0.11 0.00 -2.07 0.00 0.00 59.70 57.65 3gk1 h MET 79 Cb 0.28 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.93 3gk1 h MET 79 CO -0.11 0.75 -0.22 0.82 1.07 0.00 0.00 176.91 179.22 3gk1 h ILE 80 N 0.57 1.30 -0.73 -1.22 2.04 -0.97 -1.53 117.51 116.97 3gk1 h ILE 80 Ca 0.13 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 3gk1 h ILE 80 Cb 0.39 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 3gk1 h ILE 80 CO 0.01 0.44 0.45 0.74 0.00 0.00 0.00 178.15 179.79 3gk1 h THR 81 N 0.44 1.20 -0.43 -0.27 2.02 -1.26 0.17 112.91 114.78 3gk1 h THR 81 Ca 0.06 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 3gk1 h THR 81 Cb 0.77 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3gk1 h THR 81 CO 0.06 0.21 -0.01 0.74 0.37 0.00 0.00 175.52 176.89 3gk1 h THR 82 N 1.00 1.26 -0.41 3.16 2.02 -1.25 0.77 112.91 119.46 3gk1 h THR 82 Ca 0.26 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 3gk1 h THR 82 Cb -0.05 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3gk1 h THR 82 CO -0.05 0.36 0.22 0.00 0.37 0.00 0.00 175.52 176.42 3gk1 h ALA 83 N 0.90 0.52 -0.48 6.16 0.00 -0.97 -2.00 119.26 123.39 3gk1 h ALA 83 Ca 0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3gk1 h ALA 83 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3gk1 h ALA 83 CO 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 179.25 179.32 3gk1 h HIS 85 N 0.70 0.58 -0.01 0.00 6.17 0.94 -2.83 115.15 120.70 3gk1 h HIS 85 Ca 0.14 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.23 3gk1 h HIS 85 Cb 0.51 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 30.26 3gk1 h HIS 85 CO 0.04 0.24 -0.17 -0.85 0.71 0.00 0.00 177.93 177.90 3gk1 n GLU 86 N -4.50 1.50 0.21 5.26 0.28 -0.78 -3.79 120.64 118.82 3gk1 n GLU 86 Ca 0.14 -1.00 0.10 0.00 -0.16 0.00 0.00 57.16 56.24 3gk1 n GLU 86 Cb 0.46 -1.24 0.64 0.00 1.43 0.00 0.00 31.44 32.74 3gk1 n GLU 86 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 3gk1 h PHE 87 N 2.10 0.02 -0.02 -1.84 3.57 -1.16 -3.51 116.94 116.10 3gk1 h PHE 87 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3gk1 h PHE 87 Cb 0.53 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.26 3gk1 h PHE 87 CO 0.00 0.01 0.00 1.19 -2.23 0.00 0.00 178.31 177.28