#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk3 s LYS 4 N 0.00 3.89 0.13 0.00 2.20 -1.26 -5.03 119.74 119.68 3gk3 s LYS 4 Ca 0.00 1.57 -0.28 0.00 -0.36 0.00 0.00 55.97 56.90 3gk3 s LYS 4 Cb 0.00 -2.36 -0.07 0.00 -1.51 0.00 0.00 37.83 33.89 3gk3 s LYS 4 CO 0.00 -0.39 0.87 1.03 -0.36 0.00 0.00 175.35 176.50 3gk3 s ARG 5 N -2.78 4.65 -0.19 4.03 0.52 -1.26 -4.87 118.95 119.04 3gk3 s ARG 5 Ca 0.63 1.30 -0.07 0.00 -0.52 0.00 0.00 55.73 57.07 3gk3 s ARG 5 Cb -0.23 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 3gk3 s ARG 5 CO 0.28 0.37 0.05 0.08 0.02 0.00 0.00 175.30 176.09 3gk3 s VAL 6 N -0.48 4.54 0.02 3.52 1.01 -1.26 -1.82 120.40 125.93 3gk3 s VAL 6 Ca 0.41 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.33 3gk3 s VAL 6 Cb -0.23 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3gk3 s VAL 6 CO 0.28 0.44 -0.13 0.00 0.00 0.00 0.00 175.10 175.68 3gk3 s ALA 7 N 0.66 2.77 -0.13 5.51 0.00 -0.08 -0.76 121.76 129.73 3gk3 s ALA 7 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3gk3 s ALA 7 Cb -0.13 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.10 3gk3 s ALA 7 CO 0.02 0.59 -0.12 0.12 0.00 0.00 0.00 175.76 176.36 3gk3 s PHE 8 N -0.95 1.93 -0.24 0.00 5.36 -0.46 -0.69 117.98 122.94 3gk3 s PHE 8 Ca 0.16 -1.03 -0.01 0.00 -0.96 0.00 0.00 56.93 55.09 3gk3 s PHE 8 Cb -0.11 -1.46 0.03 0.00 -0.34 0.00 0.00 43.02 41.14 3gk3 s PHE 8 CO 0.06 -0.59 -0.08 0.08 -1.46 0.00 0.00 175.22 173.23 3gk3 s VAL 9 N 1.46 2.71 0.35 3.12 1.01 -0.25 -1.68 120.40 127.12 3gk3 s VAL 9 Ca 0.03 -1.07 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 3gk3 s VAL 9 Cb -0.13 -2.37 -0.10 0.00 0.00 0.00 0.00 36.38 33.78 3gk3 s VAL 9 CO -0.08 0.22 0.92 0.42 0.00 0.00 0.00 175.10 176.57 3gk3 s THR 10 N 1.30 4.33 -1.50 3.92 -4.23 -1.06 -1.49 115.64 116.91 3gk3 s THR 10 Ca -0.00 1.62 0.00 0.00 -1.18 0.00 0.00 61.69 62.12 3gk3 s THR 10 Cb -0.17 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.84 3gk3 s THR 10 CO -0.06 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 3gk3 n GLY 11 N 0.10 0.39 0.07 3.99 0.00 -1.08 -2.35 105.19 106.31 3gk3 n GLY 11 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3gk3 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gk3 n GLY 12 N -1.01 -0.14 0.00 -0.02 0.00 -0.86 -1.51 105.19 101.64 3gk3 n GLY 12 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3gk3 n GLY 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gk3 n MET 13 N -0.38 -0.16 -1.54 1.61 2.81 -1.26 -3.16 117.12 115.04 3gk3 n MET 13 Ca 0.00 -0.41 -0.30 0.00 -1.81 0.00 0.00 57.70 55.19 3gk3 n MET 13 Cb 0.01 -0.77 0.10 0.00 -0.71 0.00 0.00 33.22 31.85 3gk3 n MET 13 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3gk3 s GLY 14 N -0.09 1.61 0.08 3.03 0.00 -0.57 -4.52 107.32 106.86 3gk3 s GLY 14 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 44.72 44.26 3gk3 s GLY 14 CO 0.00 0.17 1.22 0.61 0.00 0.00 0.00 173.10 175.10 3gk3 n GLY 15 N -2.12 -2.68 0.10 0.20 0.00 -1.26 0.13 105.19 99.57 3gk3 n GLY 15 Ca 0.07 0.87 -0.14 0.00 0.00 0.00 0.00 46.02 46.82 3gk3 n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gk3 h LEU 16 N 0.00 0.24 -0.18 0.99 5.85 -1.93 -2.21 115.31 118.07 3gk3 h LEU 16 Ca 0.08 -0.55 0.05 0.00 0.84 0.00 0.00 57.88 58.30 3gk3 h LEU 16 Cb 0.21 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 3gk3 h LEU 16 CO -0.49 0.75 -0.36 1.23 -0.34 0.00 0.00 178.44 179.23 3gk3 h GLY 17 N -0.26 -0.50 0.74 3.75 0.00 -1.61 -1.08 103.07 104.11 3gk3 h GLY 17 Ca 0.00 0.44 0.05 0.00 0.00 0.00 0.00 47.33 47.83 3gk3 h GLY 17 CO 0.03 -0.22 0.40 0.00 0.00 0.00 0.00 176.54 176.76 3gk3 h ALA 18 N 0.37 0.93 -0.93 3.60 0.00 0.11 -1.53 119.26 121.81 3gk3 h ALA 18 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.15 3gk3 h ALA 18 Cb 0.57 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 3gk3 h ALA 18 CO -0.40 0.11 0.55 0.00 0.00 0.00 0.00 179.25 179.51 3gk3 h ALA 19 N 1.34 1.40 -0.12 0.00 0.00 -0.73 -1.86 119.26 119.29 3gk3 h ALA 19 Ca 0.30 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3gk3 h ALA 19 Cb 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gk3 h ALA 19 CO -0.16 0.09 -0.01 0.82 0.00 0.00 0.00 179.25 179.98 3gk3 h ILE 20 N 0.83 1.27 -0.96 0.00 2.04 -0.29 -2.03 117.51 118.37 3gk3 h ILE 20 Ca 0.48 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3gk3 h ILE 20 Cb 0.55 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 3gk3 h ILE 20 CO -0.30 0.25 0.63 0.28 0.00 0.00 0.00 178.15 179.01 3gk3 h SER 21 N -0.06 1.06 -0.36 1.72 0.02 -0.81 -0.74 113.55 114.38 3gk3 h SER 21 Ca 0.03 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3gk3 h SER 21 Cb 0.39 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3gk3 h SER 21 CO 0.01 0.74 0.15 0.03 -1.14 0.00 0.00 176.83 176.61 3gk3 h ARG 22 N 1.24 0.53 -0.72 3.45 3.08 -1.25 -1.11 114.38 119.60 3gk3 h ARG 22 Ca 0.37 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 3gk3 h ARG 22 Cb -0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3gk3 h ARG 22 CO -0.11 0.51 0.36 0.00 -1.07 0.00 0.00 179.97 179.66 3gk3 h ARG 23 N 0.44 1.02 -0.07 0.04 2.47 -0.65 -1.14 114.38 116.49 3gk3 h ARG 23 Ca 0.12 -0.13 -0.22 0.00 -1.26 0.00 0.00 59.98 58.49 3gk3 h ARG 23 Cb 0.17 -0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3gk3 h ARG 23 CO -0.01 0.78 -0.81 -0.07 0.56 0.00 0.00 179.97 180.42 3gk3 h LEU 24 N 1.02 0.84 0.23 3.04 3.38 -0.97 -2.48 115.31 120.36 3gk3 h LEU 24 Ca 0.25 -0.69 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 3gk3 h LEU 24 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3gk3 h LEU 24 CO -0.03 1.40 -0.17 -0.74 0.09 0.00 0.00 178.44 178.99 3gk3 h HIS 25 N 0.34 -0.43 0.00 1.13 2.76 -1.09 -1.94 115.15 115.92 3gk3 h HIS 25 Ca -0.08 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 3gk3 h HIS 25 Cb 1.47 0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.59 3gk3 h HIS 25 CO 0.11 -0.26 0.00 -0.25 -1.30 0.00 0.00 177.93 176.23 3gk3 n ASP 26 N -5.29 0.04 0.03 3.26 8.00 -0.44 -0.02 116.55 122.13 3gk3 n ASP 26 Ca -0.09 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.04 3gk3 n ASP 26 Cb 0.20 -0.52 0.12 0.00 -0.02 0.00 0.00 41.12 40.91 3gk3 n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gk3 n ALA 27 N -1.52 3.34 0.00 2.24 0.00 -0.79 -4.94 120.51 118.85 3gk3 n ALA 27 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3gk3 n ALA 27 Cb 0.05 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3gk3 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk3 n GLY 28 N 1.40 1.34 3.78 0.00 0.00 0.97 -5.09 105.19 107.60 3gk3 n GLY 28 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3gk3 n GLY 28 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gk3 s MET 29 N 0.00 4.35 0.21 1.61 -1.94 -0.87 -4.54 119.30 118.13 3gk3 s MET 29 Ca 0.00 0.88 -0.30 0.00 -1.71 0.00 0.00 55.69 54.55 3gk3 s MET 29 Cb 0.00 -3.29 -0.09 0.00 2.01 0.00 0.00 34.83 33.46 3gk3 s MET 29 CO 0.00 0.51 1.37 0.00 -0.01 0.00 0.00 175.02 176.89 3gk3 s ALA 30 N -0.75 3.58 -0.11 3.03 0.00 -0.76 -4.08 121.76 122.68 3gk3 s ALA 30 Ca 0.32 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.50 3gk3 s ALA 30 Cb -0.20 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.42 3gk3 s ALA 30 CO 0.21 -0.63 -0.14 0.08 0.00 0.00 0.00 175.76 175.28 3gk3 s VAL 31 N 0.16 1.39 0.11 0.00 1.01 -1.26 -0.90 120.40 120.90 3gk3 s VAL 31 Ca 0.59 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.05 3gk3 s VAL 31 Cb -0.39 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3gk3 s VAL 31 CO 0.39 0.42 0.00 0.00 0.00 0.00 0.00 175.10 175.92 3gk3 s ALA 32 N 1.12 3.27 0.03 5.51 0.00 0.14 -3.18 121.76 128.65 3gk3 s ALA 32 Ca -0.04 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.77 3gk3 s ALA 32 Cb -0.14 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 3gk3 s ALA 32 CO -0.03 0.65 -0.09 0.14 0.00 0.00 0.00 175.76 176.44 3gk3 s VAL 33 N -1.39 0.63 0.20 0.00 -7.23 -0.30 -1.09 120.40 111.22 3gk3 s VAL 33 Ca 0.26 -0.90 0.10 0.00 -1.81 0.00 0.00 61.98 59.62 3gk3 s VAL 33 Cb -0.11 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 3gk3 s VAL 33 CO 0.18 -0.21 -0.12 -0.94 -0.31 0.00 0.00 175.10 173.70 3gk3 s SER 34 N -1.22 4.08 0.21 4.85 1.04 -0.55 -0.59 113.70 121.51 3gk3 s SER 34 Ca -0.05 -0.69 -0.23 0.00 0.48 0.00 0.00 55.95 55.47 3gk3 s SER 34 Cb -0.08 -0.61 0.04 0.00 0.10 0.00 0.00 66.02 65.47 3gk3 s SER 34 CO 0.01 0.09 0.75 -1.38 0.98 0.00 0.00 173.24 173.68 3gk3 s HIS 35 N -1.86 -0.26 -0.37 5.02 -0.00 -0.18 -2.04 115.29 115.59 3gk3 s HIS 35 Ca 0.25 -0.10 0.11 0.00 -0.00 0.00 0.00 55.06 55.32 3gk3 s HIS 35 Cb -0.08 0.66 0.44 0.00 -0.00 0.00 0.00 32.58 33.60 3gk3 s HIS 35 CO 0.15 -1.04 1.07 -1.13 -0.00 0.00 0.00 174.74 173.78 3gk3 n SER 36 N -0.43 3.46 -4.72 7.38 3.41 -1.26 -1.85 113.62 119.60 3gk3 n SER 36 Ca -0.07 -3.28 -0.23 0.00 -0.26 0.00 0.00 58.87 55.02 3gk3 n SER 36 Cb 0.61 -0.47 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 3gk3 n SER 36 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gk3 s GLU 37 N -3.43 2.58 0.54 4.33 2.02 -1.26 -5.08 118.70 118.41 3gk3 s GLU 37 Ca 0.40 -1.22 -0.20 0.00 0.02 0.00 0.00 54.97 53.97 3gk3 s GLU 37 Cb 0.42 -2.36 -0.06 0.00 0.10 0.00 0.00 34.13 32.23 3gk3 s GLU 37 CO -0.08 0.39 1.15 1.03 0.02 0.00 0.00 175.26 177.77 3gk3 s ARG 38 N -3.65 3.33 0.40 1.61 3.00 -1.26 -4.77 118.95 117.61 3gk3 s ARG 38 Ca 0.32 1.66 0.22 0.00 0.00 0.00 0.00 55.73 57.93 3gk3 s ARG 38 Cb -0.07 -2.03 1.21 0.00 0.00 0.00 0.00 34.95 34.06 3gk3 s ARG 38 CO 0.22 -0.88 1.71 -0.97 0.00 0.00 0.00 175.30 175.38 3gk3 h ASN 39 N 1.22 0.39 0.02 0.23 -1.24 -1.99 -0.89 115.58 113.31 3gk3 h ASN 39 Ca -0.50 0.11 0.01 0.00 0.71 0.00 0.00 56.30 56.63 3gk3 h ASN 39 Cb 1.27 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 40.36 3gk3 h ASN 39 CO 0.57 -0.03 -0.22 0.44 -1.29 0.00 0.00 177.43 176.90 3gk3 h ASP 40 N 0.28 -0.68 -0.45 1.15 3.32 -2.00 0.15 116.42 118.21 3gk3 h ASP 40 Ca 0.69 0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.89 3gk3 h ASP 40 Cb 1.88 0.25 -0.07 0.00 0.22 0.00 0.00 39.33 41.62 3gk3 h ASP 40 CO -0.38 -0.22 0.04 -0.74 -1.72 0.00 0.00 179.24 176.22 3gk3 h HIS 41 N -0.29 0.05 -0.16 4.55 2.76 -1.55 -2.31 115.15 118.20 3gk3 h HIS 41 Ca 0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 3gk3 h HIS 41 Cb 0.30 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 3gk3 h HIS 41 CO -0.40 -0.05 0.06 0.28 -1.30 0.00 0.00 177.93 176.52 3gk3 h VAL 42 N 0.16 1.15 -0.46 5.26 2.07 -1.09 -1.17 116.25 122.18 3gk3 h VAL 42 Ca 0.22 -0.46 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 3gk3 h VAL 42 Cb 0.31 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3gk3 h VAL 42 CO -0.33 0.14 -0.11 0.77 0.02 0.00 0.00 177.57 178.06 3gk3 h SER 43 N 0.10 0.83 -0.63 0.57 4.64 -0.52 0.03 113.55 118.56 3gk3 h SER 43 Ca 0.05 -0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 61.05 3gk3 h SER 43 Cb 0.17 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 3gk3 h SER 43 CO -0.00 0.96 0.14 0.74 -0.87 0.00 0.00 176.83 177.80 3gk3 h THR 44 N 0.75 1.26 -0.01 2.95 2.02 -1.22 -0.80 112.91 117.86 3gk3 h THR 44 Ca 0.12 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 3gk3 h THR 44 Cb 0.61 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3gk3 h THR 44 CO 0.04 0.36 0.00 -0.25 0.37 0.00 0.00 175.52 176.04 3gk3 h TRP 45 N 0.94 0.01 -0.93 3.16 7.01 -0.58 -0.84 115.95 124.73 3gk3 h TRP 45 Ca 0.20 -0.00 0.22 0.00 2.11 0.00 0.00 58.89 61.42 3gk3 h TRP 45 Cb 0.37 -0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 27.36 3gk3 h TRP 45 CO 0.03 0.08 0.62 -0.07 -2.79 0.00 0.00 178.44 176.31 3gk3 h LEU 46 N -0.06 0.36 0.09 0.65 4.07 -0.74 -2.33 115.31 117.35 3gk3 h LEU 46 Ca 0.00 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 3gk3 h LEU 46 Cb 0.07 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3gk3 h LEU 46 CO -0.00 0.13 -0.04 0.24 -1.08 0.00 0.00 178.44 177.68 3gk3 h MET 47 N 0.35 -0.12 -0.89 1.13 2.86 0.25 -1.62 114.93 116.89 3gk3 h MET 47 Ca 0.49 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 58.29 3gk3 h MET 47 Cb 1.31 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.93 3gk3 h MET 47 CO -0.17 0.40 0.58 0.45 1.06 0.00 0.00 176.91 179.22 3gk3 h HIS 48 N -0.87 0.76 -0.44 -0.22 3.86 -1.29 0.42 115.15 117.38 3gk3 h HIS 48 Ca -0.01 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 3gk3 h HIS 48 Cb 0.57 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 3gk3 h HIS 48 CO 0.12 0.26 -0.21 0.93 0.86 0.00 0.00 177.93 179.89 3gk3 h GLU 49 N 0.62 0.87 0.00 2.45 4.39 -1.36 -2.31 114.58 119.25 3gk3 h GLU 49 Ca 0.46 -0.36 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 3gk3 h GLU 49 Cb 0.83 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 3gk3 h GLU 49 CO -0.21 1.00 -0.50 0.00 -1.16 0.00 0.00 179.01 178.14 3gk3 h ARG 50 N 0.76 0.00 0.00 2.33 -0.00 -0.13 -0.56 114.38 116.77 3gk3 h ARG 50 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.58 3gk3 h ARG 50 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.72 3gk3 h ARG 50 CO 0.06 0.50 0.00 -0.44 0.00 0.00 0.00 179.97 180.09 3gk3 h ASP 51 N 0.00 0.00 -0.02 7.04 3.32 0.11 -2.50 116.42 124.37 3gk3 h ASP 51 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3gk3 h ASP 51 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3gk3 h ASP 51 CO 0.07 0.00 -0.41 0.00 -1.72 0.00 0.00 179.24 177.18 3gk3 n ALA 52 N -2.06 3.39 -0.73 3.45 0.00 -0.40 -4.94 120.51 119.21 3gk3 n ALA 52 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3gk3 n ALA 52 Cb 0.23 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3gk3 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk3 n GLY 53 N 1.36 1.20 3.01 0.00 0.00 -0.94 -5.08 105.19 104.74 3gk3 n GLY 53 Ca 0.09 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 3gk3 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gk3 s ARG 54 N -1.92 2.19 -0.45 1.61 0.52 -0.36 -5.01 118.95 115.54 3gk3 s ARG 54 Ca 0.00 -0.52 -0.19 0.00 -0.52 0.00 0.00 55.73 54.50 3gk3 s ARG 54 Cb 0.00 -2.00 0.03 0.00 0.52 0.00 0.00 34.95 33.50 3gk3 s ARG 54 CO 0.00 -0.20 0.56 0.34 0.02 0.00 0.00 175.30 176.02 3gk3 s ASP 55 N 1.41 6.25 0.19 0.23 2.15 -1.26 -2.62 116.67 123.01 3gk3 s ASP 55 Ca 0.03 -0.62 0.06 0.00 0.43 0.00 0.00 52.55 52.44 3gk3 s ASP 55 Cb -0.13 -2.28 -0.04 0.00 -0.30 0.00 0.00 42.92 40.17 3gk3 s ASP 55 CO -0.09 -0.74 0.15 -0.36 -0.17 0.00 0.00 175.17 173.96 3gk3 s PHE 56 N 2.52 3.14 -0.10 -5.34 0.08 -1.26 -4.70 117.98 112.31 3gk3 s PHE 56 Ca 0.17 -0.04 -0.02 0.00 0.12 0.00 0.00 56.93 57.16 3gk3 s PHE 56 Cb -0.17 -1.48 -0.03 0.00 -0.57 0.00 0.00 43.02 40.77 3gk3 s PHE 56 CO 0.15 0.52 -0.03 0.15 -0.10 0.00 0.00 175.22 175.91 3gk3 s LYS 57 N -3.28 3.12 0.19 0.44 1.02 -1.19 -5.05 119.74 114.99 3gk3 s LYS 57 Ca 0.31 -0.48 0.09 0.00 0.02 0.00 0.00 55.97 55.90 3gk3 s LYS 57 Cb -0.10 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 3gk3 s LYS 57 CO 0.24 0.55 -0.05 0.00 -0.92 0.00 0.00 175.35 175.17 3gk3 s ALA 58 N -0.48 3.05 -0.12 5.17 0.00 -1.26 -1.15 121.76 126.97 3gk3 s ALA 58 Ca 0.08 -1.48 -0.07 0.00 0.00 0.00 0.00 51.96 50.49 3gk3 s ALA 58 Cb -0.12 -0.81 0.05 0.00 0.00 0.00 0.00 23.12 22.23 3gk3 s ALA 58 CO 0.02 0.44 0.29 0.71 0.00 0.00 0.00 175.76 177.22 3gk3 s TYR 59 N -1.82 -0.39 0.36 0.00 2.02 0.24 -4.91 117.35 112.84 3gk3 s TYR 59 Ca 0.27 0.90 -0.26 0.00 -0.37 0.00 0.00 57.07 57.60 3gk3 s TYR 59 Cb -0.08 0.11 -0.09 0.00 -0.40 0.00 0.00 41.96 41.49 3gk3 s TYR 59 CO 0.17 -0.24 1.07 0.00 -1.57 0.00 0.00 175.55 174.98 3gk3 s ALA 60 N 1.09 3.20 -0.03 3.71 0.00 -1.26 -1.01 121.76 127.46 3gk3 s ALA 60 Ca -0.08 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 3gk3 s ALA 60 Cb -0.08 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 19.81 3gk3 s ALA 60 CO -0.08 -0.21 0.67 0.54 0.00 0.00 0.00 175.76 176.68 3gk3 s VAL 61 N -1.46 0.00 -0.44 0.00 0.11 -0.77 -4.60 120.40 113.24 3gk3 s VAL 61 Ca 0.53 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.53 3gk3 s VAL 61 Cb -0.26 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.70 3gk3 s VAL 61 CO 0.33 0.00 0.26 -0.62 -3.33 0.00 0.00 175.10 171.74 3gk3 s ASP 62 N -1.32 5.38 0.65 3.54 2.15 -1.26 -4.27 116.67 121.54 3gk3 s ASP 62 Ca -0.10 -2.06 0.38 0.00 0.43 0.00 0.00 52.55 51.20 3gk3 s ASP 62 Cb -0.00 -1.88 2.08 0.00 -0.30 0.00 0.00 42.92 42.82 3gk3 s ASP 62 CO 0.08 -0.57 2.22 -0.37 -0.17 0.00 0.00 175.17 176.36 3gk3 h VAL 63 N 6.23 0.12 0.00 1.11 -1.51 -1.96 0.77 116.25 121.01 3gk3 h VAL 63 Ca -0.14 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 3gk3 h VAL 63 Cb 1.05 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3gk3 h VAL 63 CO 0.74 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.08 3gk3 n ALA 64 N -2.10 2.46 -3.84 5.19 0.00 -1.26 -4.09 120.51 116.87 3gk3 n ALA 64 Ca -0.02 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.05 3gk3 n ALA 64 Cb 0.18 -1.25 -0.16 0.00 0.00 0.00 0.00 19.45 18.22 3gk3 n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gk3 s ASP 65 N -1.60 2.95 0.15 0.00 2.15 0.26 -4.86 116.67 115.72 3gk3 s ASP 65 Ca 0.23 -0.77 -0.16 0.00 0.43 0.00 0.00 52.55 52.28 3gk3 s ASP 65 Cb 0.10 -0.82 0.04 0.00 -0.30 0.00 0.00 42.92 41.94 3gk3 s ASP 65 CO 0.17 -0.23 1.79 0.15 -0.17 0.00 0.00 175.17 176.87 3gk3 h PHE 66 N 8.15 0.38 -0.58 -5.34 3.57 -1.85 -1.12 116.94 120.14 3gk3 h PHE 66 Ca -0.20 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.29 3gk3 h PHE 66 Cb 1.11 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 3gk3 h PHE 66 CO 0.41 0.21 0.25 0.93 -2.23 0.00 0.00 178.31 177.87 3gk3 h GLU 67 N 0.41 0.85 -0.66 1.11 3.07 -1.94 -0.70 114.58 116.72 3gk3 h GLU 67 Ca 0.15 -0.14 0.09 0.00 -0.50 0.00 0.00 59.36 58.96 3gk3 h GLU 67 Cb 0.04 -0.14 -0.07 0.00 -0.84 0.00 0.00 28.75 27.73 3gk3 h GLU 67 CO -0.09 0.71 0.30 1.03 -1.40 0.00 0.00 179.01 179.57 3gk3 h SER 68 N 0.79 0.37 0.05 1.42 0.87 -1.69 0.10 113.55 115.46 3gk3 h SER 68 Ca 0.19 0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.71 3gk3 h SER 68 Cb 0.17 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3gk3 h SER 68 CO -0.02 0.22 -0.35 0.00 -0.53 0.00 0.00 176.83 176.14 3gk3 h GLU 70 N 0.35 0.79 -0.24 0.00 4.81 0.36 -1.10 114.58 119.55 3gk3 h GLU 70 Ca 0.04 -0.27 -0.09 0.00 -0.13 0.00 0.00 59.36 58.91 3gk3 h GLU 70 Cb 0.79 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 3gk3 h GLU 70 CO 0.06 0.87 -0.19 0.00 -0.73 0.00 0.00 179.01 179.03 3gk3 h ARG 71 N 0.71 0.56 -0.57 1.92 3.08 -0.23 -2.75 114.38 117.10 3gk3 h ARG 71 Ca 0.12 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 3gk3 h ARG 71 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3gk3 h ARG 71 CO 0.04 0.86 0.04 0.00 -1.07 0.00 0.00 179.97 179.84 3gk3 h ALA 73 N 1.15 0.65 -0.70 0.00 0.00 -1.14 -2.00 119.26 117.23 3gk3 h ALA 73 Ca 0.17 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.59 3gk3 h ALA 73 Cb 0.46 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3gk3 h ALA 73 CO 0.02 0.71 0.40 0.93 0.00 0.00 0.00 179.25 181.31 3gk3 h GLU 74 N 0.38 0.73 -0.28 0.00 5.08 -1.26 -0.85 114.58 118.38 3gk3 h GLU 74 Ca -0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3gk3 h GLU 74 Cb 1.17 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3gk3 h GLU 74 CO 0.11 0.48 0.16 0.87 -1.00 0.00 0.00 179.01 179.63 3gk3 h LYS 75 N 0.75 0.38 -0.56 2.33 1.57 -1.31 0.32 116.57 120.04 3gk3 h LYS 75 Ca 0.31 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3gk3 h LYS 75 Cb 0.16 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3gk3 h LYS 75 CO -0.17 0.32 0.35 0.28 -0.57 0.00 0.00 179.45 179.67 3gk3 h VAL 76 N 0.34 1.10 -0.11 0.50 2.07 -1.04 -0.21 116.25 118.90 3gk3 h VAL 76 Ca 0.10 -0.24 -0.23 0.00 0.82 0.00 0.00 66.70 67.15 3gk3 h VAL 76 Cb 0.04 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3gk3 h VAL 76 CO -0.02 0.13 -0.82 -0.07 0.02 0.00 0.00 177.57 176.81 3gk3 h LEU 77 N 0.71 0.86 -0.72 2.57 3.38 -0.78 0.42 115.31 121.76 3gk3 h LEU 77 Ca 0.22 -0.59 0.02 0.00 0.09 0.00 0.00 57.88 57.62 3gk3 h LEU 77 Cb -0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3gk3 h LEU 77 CO -0.08 1.38 0.46 0.00 0.09 0.00 0.00 178.44 180.29 3gk3 h ALA 78 N 0.59 0.93 0.30 1.53 0.00 -0.16 0.66 119.26 123.11 3gk3 h ALA 78 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3gk3 h ALA 78 Cb 1.45 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gk3 h ALA 78 CO 0.16 0.26 -0.14 -0.44 0.00 0.00 0.00 179.25 179.09 3gk3 h ASP 79 N 0.90 -0.34 0.00 0.00 5.19 -0.20 -3.37 116.42 118.61 3gk3 h ASP 79 Ca 0.28 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3gk3 h ASP 79 Cb -0.02 0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.58 3gk3 h ASP 79 CO -0.09 0.12 -0.57 0.49 -3.12 0.00 0.00 179.24 176.06 3gk3 n PHE 80 N -5.07 0.00 0.00 4.55 3.01 0.14 -4.96 117.46 115.14 3gk3 n PHE 80 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 3gk3 n PHE 80 Cb 0.26 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 3gk3 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gk3 n GLY 81 N 1.43 2.31 3.84 1.37 0.00 0.23 -4.91 105.19 109.46 3gk3 n GLY 81 Ca 0.08 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 3gk3 n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gk3 s LYS 82 N 0.00 1.88 -0.24 1.61 -2.85 -1.26 -4.92 119.74 113.97 3gk3 s LYS 82 Ca 0.00 -1.11 -0.01 0.00 -1.00 0.00 0.00 55.97 53.85 3gk3 s LYS 82 Cb 0.00 0.60 0.07 0.00 -2.06 0.00 0.00 37.83 36.44 3gk3 s LYS 82 CO 0.00 -0.87 0.03 0.08 0.10 0.00 0.00 175.35 174.69 3gk3 s VAL 83 N -3.31 0.89 -0.04 1.79 1.01 -1.26 -4.73 120.40 114.74 3gk3 s VAL 83 Ca 0.13 -0.96 0.13 0.00 0.00 0.00 0.00 61.98 61.27 3gk3 s VAL 83 Cb -0.05 -1.41 -0.14 0.00 0.00 0.00 0.00 36.38 34.78 3gk3 s VAL 83 CO 0.08 -0.31 1.01 0.44 0.00 0.00 0.00 175.10 176.33 3gk3 h ASP 84 N 8.12 0.00 -3.32 3.32 3.32 -1.30 -3.42 116.42 123.14 3gk3 h ASP 84 Ca -0.16 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.46 3gk3 h ASP 84 Cb 1.08 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.26 3gk3 h ASP 84 CO 0.39 0.79 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.25 3gk3 s VAL 85 N -2.78 0.43 -0.11 -1.35 1.01 -0.71 -1.50 120.40 115.39 3gk3 s VAL 85 Ca -0.01 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3gk3 s VAL 85 Cb 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.92 3gk3 s VAL 85 CO 0.81 0.25 -0.23 -0.22 0.00 0.00 0.00 175.10 175.71 3gk3 s LEU 86 N 1.62 2.06 -0.36 3.92 2.96 0.74 -1.36 118.68 128.26 3gk3 s LEU 86 Ca -0.00 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 3gk3 s LEU 86 Cb -0.13 -1.38 0.10 0.00 0.50 0.00 0.00 46.19 45.28 3gk3 s LEU 86 CO -0.04 0.13 0.09 -0.63 -1.32 0.00 0.00 176.35 174.58 3gk3 s ILE 87 N 0.51 2.72 -1.00 6.68 -1.09 -0.68 -0.98 121.20 127.36 3gk3 s ILE 87 Ca -0.15 -2.11 -0.23 0.00 -2.23 0.00 0.00 60.65 55.93 3gk3 s ILE 87 Cb -0.17 -2.88 0.05 0.00 -1.58 0.00 0.00 42.46 37.88 3gk3 s ILE 87 CO 0.05 -0.56 1.43 0.20 -1.23 0.00 0.00 174.94 174.83 3gk3 s ASN 88 N 1.30 6.48 -0.13 3.58 0.02 -0.23 -2.56 114.94 123.39 3gk3 s ASN 88 Ca 0.07 -1.39 0.06 0.00 -1.02 0.00 0.00 52.86 50.58 3gk3 s ASN 88 Cb -0.21 -2.56 -0.12 0.00 0.02 0.00 0.00 41.25 38.38 3gk3 s ASN 88 CO -0.06 -1.52 -0.04 -3.20 0.02 0.00 0.00 177.10 172.31 3gk3 n ASN 89 N 8.85 2.46 -4.46 -1.22 5.15 -1.25 -1.52 115.26 123.29 3gk3 n ASN 89 Ca 0.30 -0.04 -0.40 0.00 -0.60 0.00 0.00 54.58 53.85 3gk3 n ASN 89 Cb 0.51 0.34 0.02 0.00 -0.53 0.00 0.00 39.78 40.11 3gk3 n ASN 89 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gk3 n ALA 90 N -2.65 -1.37 0.00 5.20 0.00 -0.99 -4.87 120.51 115.83 3gk3 n ALA 90 Ca -0.22 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3gk3 n ALA 90 Cb 0.83 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3gk3 n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk3 n GLY 91 N 1.79 0.94 3.50 0.00 0.00 -1.26 -4.81 105.19 105.35 3gk3 n GLY 91 Ca 0.11 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 3gk3 n GLY 91 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gk3 s ILE 92 N -2.00 0.00 0.06 -0.61 -4.36 -1.26 -5.06 121.20 107.97 3gk3 s ILE 92 Ca 0.00 -1.58 0.02 0.00 -0.26 0.00 0.00 60.65 58.83 3gk3 s ILE 92 Cb 0.00 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 41.04 3gk3 s ILE 92 CO 0.00 0.00 -0.08 0.42 0.24 0.00 0.00 174.94 175.52 3gk3 s THR 93 N -3.05 0.59 -0.42 8.37 -4.23 -1.26 -4.91 115.64 110.73 3gk3 s THR 93 Ca 0.30 -1.31 0.06 0.00 -1.18 0.00 0.00 61.69 59.56 3gk3 s THR 93 Cb -0.01 -0.90 0.22 0.00 1.34 0.00 0.00 72.50 73.15 3gk3 s THR 93 CO 0.20 -0.51 0.54 0.54 -0.54 0.00 0.00 174.62 174.85 3gk3 n ARG 94 N 1.05 0.53 -1.95 3.99 5.12 -1.26 -5.01 116.66 119.13 3gk3 n ARG 94 Ca -0.20 -2.87 -0.41 0.00 -1.93 0.00 0.00 57.85 52.45 3gk3 n ARG 94 Cb 0.56 -1.42 -0.01 0.00 -1.16 0.00 0.00 32.46 30.43 3gk3 n ARG 94 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3gk3 s ASP 95 N -0.64 6.51 -0.03 0.55 1.01 -1.26 -4.88 116.67 117.92 3gk3 s ASP 95 Ca 0.33 2.87 -0.29 0.00 0.71 0.00 0.00 52.55 56.18 3gk3 s ASP 95 Cb 0.12 -2.66 0.10 0.00 1.01 0.00 0.00 42.92 41.49 3gk3 s ASP 95 CO -0.15 -0.74 0.82 0.00 0.21 0.00 0.00 175.17 175.32 3gk3 s ALA 96 N -1.14 -1.81 0.61 5.23 0.00 0.72 -4.99 121.76 120.39 3gk3 s ALA 96 Ca 0.52 1.16 -0.18 0.00 0.00 0.00 0.00 51.96 53.45 3gk3 s ALA 96 Cb -0.43 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3gk3 s ALA 96 CO 0.58 -0.52 0.98 0.25 0.00 0.00 0.00 175.76 177.05 3gk3 n THR 97 N 0.27 3.86 -0.22 0.00 -2.24 -1.26 -4.03 114.28 110.66 3gk3 n THR 97 Ca -0.13 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.14 3gk3 n THR 97 Cb 0.60 -1.17 0.10 0.00 -2.10 0.00 0.00 70.33 67.76 3gk3 n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3gk3 h PHE 98 N 0.43 0.58 -0.77 4.78 3.57 -1.94 0.35 116.94 123.94 3gk3 h PHE 98 Ca -0.49 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.19 3gk3 h PHE 98 Cb 1.36 -0.17 -0.10 0.00 2.79 0.00 0.00 35.95 39.84 3gk3 h PHE 98 CO 0.37 0.24 0.28 1.98 -2.23 0.00 0.00 178.31 178.96 3gk3 h MET 99 N 0.58 0.38 0.00 1.11 4.05 -2.03 -3.13 114.93 115.90 3gk3 h MET 99 Ca 0.30 -0.02 -0.29 0.00 -0.28 0.00 0.00 59.70 59.41 3gk3 h MET 99 Cb 0.25 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 30.92 3gk3 h MET 99 CO -0.22 0.25 -1.66 0.87 0.23 0.00 0.00 176.91 176.38 3gk3 h LYS 100 N 0.40 0.00 -6.49 0.39 1.57 -1.53 -3.48 116.57 107.44 3gk3 h LYS 100 Ca 0.43 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.61 3gk3 h LYS 100 Cb 0.70 0.00 0.11 0.00 0.08 0.00 0.00 32.23 33.12 3gk3 h LYS 100 CO -0.44 0.52 0.14 -0.12 -0.57 0.00 0.00 179.45 178.98 3gk3 n MET 101 N -3.06 1.38 -3.38 3.15 1.56 0.11 -4.96 117.12 111.93 3gk3 n MET 101 Ca -0.16 0.49 -0.20 0.00 -0.27 0.00 0.00 57.70 57.56 3gk3 n MET 101 Cb 1.04 -1.86 -0.00 0.00 2.15 0.00 0.00 33.22 34.55 3gk3 n MET 101 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gk3 s THR 102 N -1.06 4.11 0.31 1.12 -4.23 -1.26 -4.99 115.64 109.64 3gk3 s THR 102 Ca 0.58 -0.87 0.03 0.00 -1.18 0.00 0.00 61.69 60.25 3gk3 s THR 102 Cb -0.69 -3.45 0.29 0.00 1.34 0.00 0.00 72.50 69.99 3gk3 s THR 102 CO 0.60 -0.21 1.88 0.07 -0.54 0.00 0.00 174.62 176.42 3gk3 h LYS 103 N 0.78 0.88 -0.49 3.99 -0.00 -1.99 -1.54 116.57 118.20 3gk3 h LYS 103 Ca -0.46 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.65 60.07 3gk3 h LYS 103 Cb 1.25 -0.20 -0.02 0.00 -0.00 0.00 0.00 32.23 33.27 3gk3 h LYS 103 CO 0.54 0.59 0.07 0.78 -0.00 0.00 0.00 179.45 181.43 3gk3 h GLY 104 N 0.91 0.88 -0.01 0.07 0.00 -1.98 0.19 103.07 103.13 3gk3 h GLY 104 Ca 0.44 -0.60 0.10 0.00 0.00 0.00 0.00 47.33 47.27 3gk3 h GLY 104 CO -0.20 0.55 -0.14 -0.55 0.00 0.00 0.00 176.54 176.20 3gk3 h ASP 105 N 0.69 -0.51 0.22 0.19 3.32 -1.74 -0.72 116.42 117.87 3gk3 h ASP 105 Ca 0.15 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3gk3 h ASP 105 Cb 0.41 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3gk3 h ASP 105 CO 0.01 -0.18 -0.11 -0.25 -1.72 0.00 0.00 179.24 177.00 3gk3 h TRP 106 N -0.02 -0.27 -0.48 4.55 2.91 -0.57 -2.92 115.95 119.14 3gk3 h TRP 106 Ca 0.24 -0.01 -0.13 0.00 1.13 0.00 0.00 58.89 60.12 3gk3 h TRP 106 Cb 0.38 0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.11 3gk3 h TRP 106 CO -0.43 -0.16 -0.21 -0.44 -1.03 0.00 0.00 178.44 176.17 3gk3 h ASP 107 N -0.30 1.01 -0.44 2.65 3.32 -0.44 -1.82 116.42 120.41 3gk3 h ASP 107 Ca -0.03 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 3gk3 h ASP 107 Cb 0.23 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3gk3 h ASP 107 CO 0.05 1.17 0.17 0.00 -1.72 0.00 0.00 179.24 178.91 3gk3 h ALA 108 N 0.90 0.57 -0.01 3.45 0.00 -1.13 0.82 119.26 123.86 3gk3 h ALA 108 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gk3 h ALA 108 Cb 0.78 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gk3 h ALA 108 CO 0.06 0.19 0.00 0.28 0.00 0.00 0.00 179.25 179.79 3gk3 h VAL 109 N 0.57 1.20 -0.16 0.00 2.07 -1.34 -2.80 116.25 115.80 3gk3 h VAL 109 Ca 0.15 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3gk3 h VAL 109 Cb 0.21 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3gk3 h VAL 109 CO -0.01 0.15 0.07 0.24 0.02 0.00 0.00 177.57 178.05 3gk3 h MET 110 N -0.23 0.23 0.00 1.57 2.07 -1.21 0.93 114.93 118.28 3gk3 h MET 110 Ca 0.00 -0.04 -0.05 0.00 -2.07 0.00 0.00 59.70 57.55 3gk3 h MET 110 Cb 0.25 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.93 3gk3 h MET 110 CO 0.00 0.28 -0.23 0.00 1.07 0.00 0.00 176.91 178.04 3gk3 h ARG 111 N 0.12 0.00 0.00 1.72 2.47 -0.93 -2.25 114.38 115.51 3gk3 h ARG 111 Ca 0.05 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.67 3gk3 h ARG 111 Cb 0.14 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 3gk3 h ARG 111 CO -0.01 0.23 -0.83 1.15 0.56 0.00 0.00 179.97 181.07 3gk3 h THR 112 N 0.00 0.42 0.04 2.04 2.02 -1.34 -3.35 112.91 112.74 3gk3 h THR 112 Ca -0.00 -1.54 -0.27 0.00 0.77 0.00 0.00 66.41 65.36 3gk3 h THR 112 Cb 0.43 1.02 0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3gk3 h THR 112 CO 0.03 0.14 -1.09 0.44 0.37 0.00 0.00 175.52 175.41 3gk3 h ASP 113 N -1.00 0.89 0.01 4.18 5.19 -0.90 -3.03 116.42 121.76 3gk3 h ASP 113 Ca -0.16 -0.77 -0.35 0.00 -0.62 0.00 0.00 57.03 55.14 3gk3 h ASP 113 Cb 0.86 -0.28 -0.05 0.00 0.18 0.00 0.00 39.33 40.04 3gk3 h ASP 113 CO -0.10 1.55 -1.92 -0.11 -3.12 0.00 0.00 179.24 175.54 3gk3 n LEU 114 N -3.85 2.01 0.15 1.55 7.94 -1.03 -4.19 117.00 119.58 3gk3 n LEU 114 Ca -0.12 0.35 0.17 0.00 -1.11 0.00 0.00 56.01 55.30 3gk3 n LEU 114 Cb 0.91 -0.91 0.78 0.00 0.53 0.00 0.00 43.42 44.72 3gk3 n LEU 114 CO 0.56 0.47 1.15 0.44 -1.11 0.00 0.00 177.39 178.91 3gk3 h ASP 115 N -0.88 0.00 -0.89 1.96 3.32 -1.55 -1.85 116.42 116.53 3gk3 h ASP 115 Ca -0.52 0.00 0.15 0.00 0.02 0.00 0.00 57.03 56.68 3gk3 h ASP 115 Cb 1.51 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.99 3gk3 h ASP 115 CO -0.28 0.00 0.58 0.00 -1.72 0.00 0.00 179.24 177.82 3gk3 h ALA 116 N 1.75 1.86 -0.76 3.45 0.00 -1.68 0.15 119.26 124.03 3gk3 h ALA 116 Ca 0.13 0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.23 3gk3 h ALA 116 Cb 0.63 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.18 3gk3 h ALA 116 CO -0.00 -0.10 0.08 0.52 0.00 0.00 0.00 179.25 179.75 3gk3 h MET 117 N 0.67 0.16 0.03 0.00 2.86 -1.54 -1.04 114.93 116.07 3gk3 h MET 117 Ca 0.45 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 58.08 3gk3 h MET 117 Cb 0.76 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.38 3gk3 h MET 117 CO -0.21 0.10 -0.02 0.35 1.06 0.00 0.00 176.91 178.20 3gk3 h PHE 118 N 0.16 -0.04 -0.61 -0.22 3.57 -1.32 -3.04 116.94 115.44 3gk3 h PHE 118 Ca 0.43 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.03 3gk3 h PHE 118 Cb 0.76 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.43 3gk3 h PHE 118 CO -0.35 0.41 0.16 -0.91 -2.23 0.00 0.00 178.31 175.38 3gk3 h ASN 119 N -0.98 0.06 0.00 0.41 2.35 -0.68 -0.11 115.58 116.63 3gk3 h ASN 119 Ca -0.00 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3gk3 h ASN 119 Cb 0.47 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 3gk3 h ASN 119 CO 0.01 0.04 -0.21 0.58 -1.65 0.00 0.00 177.43 176.20 3gk3 h VAL 120 N 0.30 0.85 -0.36 2.81 2.07 -1.39 -3.38 116.25 117.15 3gk3 h VAL 120 Ca 0.32 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 3gk3 h VAL 120 Cb 0.46 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3gk3 h VAL 120 CO -0.38 0.29 0.12 0.74 0.02 0.00 0.00 177.57 178.36 3gk3 h THR 121 N -1.00 1.15 -0.88 2.57 2.02 -1.51 -0.72 112.91 114.54 3gk3 h THR 121 Ca -0.04 -0.50 0.22 0.00 0.77 0.00 0.00 66.41 66.86 3gk3 h THR 121 Cb 0.62 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 3gk3 h THR 121 CO -0.03 0.19 0.60 0.11 0.37 0.00 0.00 175.52 176.76 3gk3 h LYS 122 N 0.50 0.26 0.00 6.66 1.79 -1.18 -0.39 116.57 124.22 3gk3 h LYS 122 Ca 0.12 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 3gk3 h LYS 122 Cb 0.14 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3gk3 h LYS 122 CO -0.01 0.17 -0.21 1.96 -1.08 0.00 0.00 179.45 180.29 3gk3 h GLN 123 N 0.27 0.00 0.00 3.15 1.08 -1.30 -3.34 115.11 114.97 3gk3 h GLN 123 Ca 0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.65 3gk3 h GLN 123 Cb 1.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 3gk3 h GLN 123 CO -0.12 0.21 -0.80 1.19 -0.95 0.00 0.00 178.83 178.35 3gk3 n PHE 124 N -3.22 0.00 -0.35 2.96 3.72 -0.85 -4.76 117.46 114.95 3gk3 n PHE 124 Ca 0.02 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.46 3gk3 n PHE 124 Cb 0.53 -0.06 0.20 0.00 -0.94 0.00 0.00 39.48 39.20 3gk3 n PHE 124 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3gk3 h ILE 125 N 0.00 1.00 -0.68 4.37 6.09 -1.21 -2.29 117.51 124.79 3gk3 h ILE 125 Ca 0.00 -0.36 -0.01 0.00 -1.37 0.00 0.00 64.86 63.12 3gk3 h ILE 125 Cb 0.16 -0.14 -0.03 0.00 0.47 0.00 0.00 36.82 37.28 3gk3 h ILE 125 CO 0.00 0.19 0.37 0.00 -3.07 0.00 0.00 178.15 175.64 3gk3 h ALA 126 N 1.48 1.37 0.13 0.18 0.00 -1.85 -2.32 119.26 118.25 3gk3 h ALA 126 Ca 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3gk3 h ALA 126 Cb 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gk3 h ALA 126 CO -0.22 0.51 -0.06 0.78 0.00 0.00 0.00 179.25 180.26 3gk3 h GLY 127 N 1.00 -0.18 0.77 0.00 0.00 -1.74 -1.88 103.07 101.04 3gk3 h GLY 127 Ca 0.24 0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.70 3gk3 h GLY 127 CO -0.04 -0.07 0.64 -0.33 0.00 0.00 0.00 176.54 176.74 3gk3 h MET 128 N -0.31 1.12 -0.29 4.80 2.07 -1.42 -1.95 114.93 118.95 3gk3 h MET 128 Ca -0.02 -0.07 -0.08 0.00 -2.07 0.00 0.00 59.70 57.46 3gk3 h MET 128 Cb 0.25 -0.25 -0.01 0.00 -1.87 0.00 0.00 31.60 29.72 3gk3 h MET 128 CO 0.03 0.74 -0.14 0.28 1.07 0.00 0.00 176.91 178.89 3gk3 h VAL 129 N 1.15 1.29 -0.27 -2.22 2.07 -1.21 -0.91 116.25 116.16 3gk3 h VAL 129 Ca 0.42 -1.23 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 3gk3 h VAL 129 Cb 0.16 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3gk3 h VAL 129 CO -0.16 0.39 -0.32 -0.33 0.02 0.00 0.00 177.57 177.17 3gk3 h GLU 130 N 0.36 0.56 0.00 1.57 3.07 -0.96 -2.58 114.58 116.61 3gk3 h GLU 130 Ca 0.07 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 3gk3 h GLU 130 Cb 0.66 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 3gk3 h GLU 130 CO 0.04 0.81 -0.17 0.54 -1.40 0.00 0.00 179.01 178.83 3gk3 n ARG 131 N -4.08 0.00 -3.69 2.33 1.74 -0.77 -4.96 116.66 107.24 3gk3 n ARG 131 Ca -0.01 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.84 3gk3 n ARG 131 Cb 0.46 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.44 3gk3 n ARG 131 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3gk3 n ARG 132 N -1.51 -5.85 -3.64 5.56 -4.01 -0.39 -5.01 116.66 101.81 3gk3 n ARG 132 Ca 0.06 0.69 -0.03 0.00 -1.04 0.00 0.00 57.85 57.53 3gk3 n ARG 132 Cb 0.34 -5.49 -0.07 0.00 -3.04 0.00 0.00 32.46 24.20 3gk3 n ARG 132 CO 0.00 0.00 0.00 0.12 -3.04 0.00 0.00 177.63 174.71 3gk3 s PHE 133 N -3.47 -0.52 0.10 2.89 5.36 -0.96 -4.38 117.98 117.00 3gk3 s PHE 133 Ca 0.25 1.07 -0.25 0.00 -0.96 0.00 0.00 56.93 57.03 3gk3 s PHE 133 Cb -0.12 0.33 0.08 0.00 -0.34 0.00 0.00 43.02 42.97 3gk3 s PHE 133 CO 0.79 -0.26 0.75 0.20 -1.46 0.00 0.00 175.22 175.25 3gk3 s GLY 134 N 1.14 -0.50 -0.03 13.12 0.00 -0.92 -4.55 107.32 115.57 3gk3 s GLY 134 Ca -0.07 0.64 -0.00 0.00 0.00 0.00 0.00 44.72 45.29 3gk3 s GLY 134 CO -0.13 0.21 0.01 0.50 0.00 0.00 0.00 173.10 173.69 3gk3 s ARG 135 N -3.46 0.23 -0.14 2.90 1.81 -0.56 -2.76 118.95 116.96 3gk3 s ARG 135 Ca 0.04 0.14 0.01 0.00 -1.72 0.00 0.00 55.73 54.20 3gk3 s ARG 135 Cb -0.01 -0.50 0.02 0.00 -0.45 0.00 0.00 34.95 34.00 3gk3 s ARG 135 CO -0.09 -0.19 -0.14 0.42 -0.68 0.00 0.00 175.30 174.62 3gk3 s ILE 136 N 1.30 1.55 -0.17 1.52 1.01 -0.84 -0.19 121.20 125.38 3gk3 s ILE 136 Ca -0.06 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3gk3 s ILE 136 Cb -0.13 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.90 3gk3 s ILE 136 CO -0.02 0.45 -0.16 -0.69 0.00 0.00 0.00 174.94 174.51 3gk3 s VAL 137 N 1.34 2.47 -0.23 2.92 1.01 -0.16 -1.91 120.40 125.84 3gk3 s VAL 137 Ca 0.01 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 3gk3 s VAL 137 Cb -0.13 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3gk3 s VAL 137 CO -0.08 0.52 0.07 0.20 0.00 0.00 0.00 175.10 175.80 3gk3 s ASN 138 N 1.03 5.27 -0.42 3.32 0.02 -0.36 -1.07 114.94 122.73 3gk3 s ASN 138 Ca -0.01 -0.12 -0.25 0.00 -1.02 0.00 0.00 52.86 51.45 3gk3 s ASN 138 Cb -0.15 -1.93 0.02 0.00 0.02 0.00 0.00 41.25 39.21 3gk3 s ASN 138 CO -0.05 0.03 0.90 -0.63 0.02 0.00 0.00 177.10 177.38 3gk3 s ILE 139 N 1.22 4.55 0.00 0.60 1.09 -0.57 -1.48 121.20 126.61 3gk3 s ILE 139 Ca 0.05 0.90 0.00 0.00 -1.10 0.00 0.00 60.65 60.49 3gk3 s ILE 139 Cb -0.14 -4.37 0.00 0.00 -1.06 0.00 0.00 42.46 36.89 3gk3 s ILE 139 CO 0.03 -0.68 0.00 0.61 -0.10 0.00 0.00 174.94 174.80 3gk3 n GLY 140 N 4.71 1.32 3.64 6.18 0.00 -0.01 -4.93 105.19 116.10 3gk3 n GLY 140 Ca 0.06 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 3gk3 n GLY 140 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gk3 s SER 141 N -1.00 -0.65 0.50 1.61 0.15 -1.26 -4.47 113.70 108.58 3gk3 s SER 141 Ca 0.00 1.16 0.41 0.00 0.70 0.00 0.00 55.95 58.21 3gk3 s SER 141 Cb 0.00 1.22 1.60 0.00 -1.71 0.00 0.00 66.02 67.12 3gk3 s SER 141 CO 0.00 -0.19 1.61 1.62 1.20 0.00 0.00 173.24 177.47 3gk3 h VAL 142 N 4.31 0.07 0.00 4.45 3.04 -1.51 1.28 116.25 127.89 3gk3 h VAL 142 Ca -0.29 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 65.38 3gk3 h VAL 142 Cb 1.19 0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.51 3gk3 h VAL 142 CO 0.12 0.00 -0.05 0.78 -1.01 0.00 0.00 177.57 177.42 3gk3 h ASN 143 N 0.02 0.00 -0.01 3.17 2.35 -1.90 -1.88 115.58 117.34 3gk3 h ASN 143 Ca 0.87 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.62 3gk3 h ASN 143 Cb 3.17 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 41.54 3gk3 h ASN 143 CO -0.21 0.05 0.00 1.23 -1.65 0.00 0.00 177.43 176.85 3gk3 h GLY 144 N 1.99 0.01 0.84 2.83 0.00 0.14 -1.52 103.07 107.36 3gk3 h GLY 144 Ca -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3gk3 h GLY 144 CO 0.01 0.00 -0.14 1.76 0.00 0.00 0.00 176.54 178.17 3gk3 h SER 145 N 0.00 0.51 -0.01 0.19 0.02 -1.27 -3.35 113.55 109.64 3gk3 h SER 145 Ca 0.00 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3gk3 h SER 145 Cb 0.00 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3gk3 h SER 145 CO -0.00 0.83 -0.45 -2.11 -1.14 0.00 0.00 176.83 173.96 3gk3 n ARG 146 N -4.49 1.33 -1.00 3.45 1.85 -0.77 -5.09 116.66 111.94 3gk3 n ARG 146 Ca -0.05 -0.96 0.00 0.00 -1.00 0.00 0.00 57.85 55.85 3gk3 n ARG 146 Cb 0.36 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 3gk3 n ARG 146 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3gk3 n GLY 147 N 1.36 -3.70 2.87 2.89 0.00 -0.57 -5.01 105.19 103.03 3gk3 n GLY 147 Ca 0.09 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 3gk3 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gk3 s ALA 148 N -4.53 0.44 0.32 4.61 0.00 -1.26 -4.89 121.76 116.45 3gk3 s ALA 148 Ca 0.00 0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.73 3gk3 s ALA 148 Cb 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 23.12 22.68 3gk3 s ALA 148 CO 0.00 -0.02 0.91 0.34 0.00 0.00 0.00 175.76 176.99 3gk3 n PHE 149 N 3.89 0.88 -0.24 0.00 7.35 -1.26 -1.27 117.46 126.81 3gk3 n PHE 149 Ca -0.24 0.69 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 3gk3 n PHE 149 Cb 0.52 -2.19 0.00 0.00 0.35 0.00 0.00 39.48 38.16 3gk3 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gk3 n GLY 150 N 1.35 1.67 2.50 7.13 0.00 -1.26 -4.89 105.19 111.69 3gk3 n GLY 150 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3gk3 n GLY 150 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gk3 n GLN 151 N -2.00 3.29 -0.16 1.61 6.02 -0.40 -0.20 117.38 125.54 3gk3 n GLN 151 Ca 0.00 -4.44 -0.01 0.00 -0.01 0.00 0.00 57.00 52.54 3gk3 n GLN 151 Cb 0.00 -2.19 0.24 0.00 1.02 0.00 0.00 30.24 29.31 3gk3 n GLN 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gk3 h ALA 152 N 2.61 1.38 0.41 -1.58 0.00 -1.79 0.35 119.26 120.64 3gk3 h ALA 152 Ca 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3gk3 h ALA 152 Cb 0.93 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3gk3 h ALA 152 CO 0.83 0.50 -0.19 -2.95 0.00 0.00 0.00 179.25 177.43 3gk3 h ASN 153 N 0.89 -0.46 -0.50 0.00 7.08 -1.92 -2.94 115.58 117.73 3gk3 h ASN 153 Ca 0.22 -0.10 -0.12 0.00 -3.08 0.00 0.00 56.30 53.22 3gk3 h ASN 153 Cb 0.06 0.12 -0.01 0.00 -2.08 0.00 0.00 38.32 36.40 3gk3 h ASN 153 CO -0.03 -0.15 -0.17 0.22 -2.08 0.00 0.00 177.43 175.21 3gk3 h TYR 154 N -0.79 1.13 -0.72 4.14 3.20 -1.87 -1.42 116.97 120.64 3gk3 h TYR 154 Ca -0.06 -0.26 0.07 0.00 3.14 0.00 0.00 58.73 61.62 3gk3 h TYR 154 Cb 0.53 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 3gk3 h TYR 154 CO 0.00 1.08 0.41 0.00 -1.64 0.00 0.00 178.16 178.02 3gk3 h ALA 155 N 0.88 0.98 -0.19 1.82 0.00 -1.08 0.13 119.26 121.80 3gk3 h ALA 155 Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3gk3 h ALA 155 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3gk3 h ALA 155 CO 0.06 0.09 -0.02 0.77 0.00 0.00 0.00 179.25 180.14 3gk3 h SER 156 N 0.74 0.35 0.21 0.00 0.02 -1.21 0.28 113.55 113.93 3gk3 h SER 156 Ca 0.33 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3gk3 h SER 156 Cb 0.22 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3gk3 h SER 156 CO -0.20 0.61 -0.35 0.00 -1.14 0.00 0.00 176.83 175.75 3gk3 h ALA 157 N 0.75 -0.67 -0.85 3.77 0.00 -1.21 0.36 119.26 121.41 3gk3 h ALA 157 Ca 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3gk3 h ALA 157 Cb 0.44 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3gk3 h ALA 157 CO 0.01 -0.93 0.46 0.87 0.00 0.00 0.00 179.25 179.67 3gk3 h LYS 158 N -0.64 1.19 -0.60 0.00 1.79 -0.64 -1.27 116.57 116.40 3gk3 h LYS 158 Ca 0.01 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.31 3gk3 h LYS 158 Cb 0.63 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 3gk3 h LYS 158 CO -0.15 0.88 0.27 0.00 -1.08 0.00 0.00 179.45 179.37 3gk3 h ALA 159 N 1.25 0.77 -0.78 3.86 0.00 -0.38 -2.66 119.26 121.32 3gk3 h ALA 159 Ca 0.30 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.18 3gk3 h ALA 159 Cb 0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3gk3 h ALA 159 CO -0.05 0.36 0.51 0.78 0.00 0.00 0.00 179.25 180.85 3gk3 h GLY 160 N 0.82 0.93 1.95 0.00 0.00 0.15 -2.00 103.07 104.91 3gk3 h GLY 160 Ca 0.20 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 3gk3 h GLY 160 CO -0.02 0.11 -0.14 -2.22 0.00 0.00 0.00 176.54 174.27 3gk3 h ILE 161 N 0.59 1.13 -0.00 2.60 2.04 -0.87 -1.72 117.51 121.28 3gk3 h ILE 161 Ca 0.38 -0.60 -0.16 0.00 1.00 0.00 0.00 64.86 65.48 3gk3 h ILE 161 Cb 0.63 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3gk3 h ILE 161 CO -0.14 0.18 -0.75 -0.74 0.00 0.00 0.00 178.15 176.69 3gk3 h HIS 162 N 0.07 0.05 -0.59 1.37 2.76 -1.44 -1.39 115.15 115.98 3gk3 h HIS 162 Ca 0.01 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.22 3gk3 h HIS 162 Cb 0.30 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.20 3gk3 h HIS 162 CO 0.00 0.77 0.30 0.78 -1.30 0.00 0.00 177.93 178.48 3gk3 h GLY 163 N 2.15 0.85 0.97 5.26 0.00 -1.37 0.74 103.07 111.68 3gk3 h GLY 163 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3gk3 h GLY 163 CO 0.10 0.10 0.15 -2.75 0.00 0.00 0.00 176.54 174.14 3gk3 h PHE 164 N 0.55 0.79 -0.03 5.60 3.57 -1.30 -2.72 116.94 123.39 3gk3 h PHE 164 Ca 0.27 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3gk3 h PHE 164 Cb 0.21 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3gk3 h PHE 164 CO -0.11 0.69 -0.07 1.15 -2.23 0.00 0.00 178.31 177.75 3gk3 h THR 165 N 0.66 0.81 -0.22 4.41 2.02 -0.37 -1.43 112.91 118.79 3gk3 h THR 165 Ca 0.16 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 3gk3 h THR 165 Cb 0.28 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3gk3 h THR 165 CO -0.00 0.00 0.14 0.11 0.37 0.00 0.00 175.52 176.13 3gk3 h LYS 166 N -0.11 0.30 0.08 6.66 1.57 -0.89 0.11 116.57 124.29 3gk3 h LYS 166 Ca 0.04 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3gk3 h LYS 166 Cb 0.16 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3gk3 h LYS 166 CO -0.10 0.23 -0.04 1.15 -0.57 0.00 0.00 179.45 180.13 3gk3 h THR 167 N 0.28 0.93 0.00 -0.16 2.02 -1.40 -1.32 112.91 113.26 3gk3 h THR 167 Ca 0.08 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 3gk3 h THR 167 Cb 0.01 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3gk3 h THR 167 CO -0.02 0.01 -0.40 0.25 0.37 0.00 0.00 175.52 175.74 3gk3 h LEU 168 N -0.14 0.00 -0.07 2.58 5.85 -1.18 -0.23 115.31 122.12 3gk3 h LEU 168 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3gk3 h LEU 168 Cb 0.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3gk3 h LEU 168 CO 0.02 0.40 0.04 0.00 -0.34 0.00 0.00 178.44 178.55 3gk3 h ALA 169 N 1.60 0.09 -0.53 1.25 0.00 -0.59 -2.12 119.26 118.95 3gk3 h ALA 169 Ca -0.00 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3gk3 h ALA 169 Cb 0.76 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 3gk3 h ALA 169 CO 0.05 -0.36 0.14 -0.07 0.00 0.00 0.00 179.25 179.01 3gk3 h LEU 170 N 0.00 0.06 -0.57 0.00 3.38 -0.71 -0.85 115.31 116.63 3gk3 h LEU 170 Ca 0.02 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3gk3 h LEU 170 Cb 0.10 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3gk3 h LEU 170 CO -0.00 0.05 -0.35 -0.33 0.09 0.00 0.00 178.44 177.90 3gk3 h GLU 171 N 0.28 0.00 -0.01 1.13 5.08 -0.78 -3.21 114.58 117.08 3gk3 h GLU 171 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3gk3 h GLU 171 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3gk3 h GLU 171 CO -0.33 0.35 -0.24 0.25 -1.00 0.00 0.00 179.01 178.05 3gk3 n THR 172 N -3.33 0.00 0.27 1.13 -2.24 -0.82 -4.69 114.28 104.59 3gk3 n THR 172 Ca 0.01 -0.38 0.18 0.00 -2.27 0.00 0.00 64.05 61.59 3gk3 n THR 172 Cb 0.57 1.17 0.93 0.00 -2.10 0.00 0.00 70.33 70.90 3gk3 n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gk3 h ALA 173 N 2.37 1.53 0.00 6.98 0.00 -1.15 0.07 119.26 129.06 3gk3 h ALA 173 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gk3 h ALA 173 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gk3 h ALA 173 CO 0.00 -0.19 -0.50 0.36 0.00 0.00 0.00 179.25 178.92 3gk3 n LYS 174 N -3.54 0.18 -1.06 0.00 2.85 -1.26 -3.91 118.16 111.42 3gk3 n LYS 174 Ca -0.01 0.06 -0.08 0.00 -1.05 0.00 0.00 58.31 57.23 3gk3 n LYS 174 Cb 0.24 -1.62 0.30 0.00 -0.65 0.00 0.00 35.03 33.30 3gk3 n LYS 174 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3gk3 n ARG 175 N -1.88 3.60 -1.65 -1.58 5.12 0.01 -4.91 116.66 115.37 3gk3 n ARG 175 Ca 0.04 -3.09 -0.09 0.00 -1.93 0.00 0.00 57.85 52.78 3gk3 n ARG 175 Cb 0.40 -2.22 -0.02 0.00 -1.16 0.00 0.00 32.46 29.45 3gk3 n ARG 175 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gk3 n GLY 176 N -0.25 0.59 3.43 -0.13 0.00 -1.25 -2.41 105.19 105.17 3gk3 n GLY 176 Ca 0.43 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3gk3 n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gk3 s ILE 177 N -2.37 2.94 0.11 -0.61 1.01 -1.24 -2.17 121.20 118.88 3gk3 s ILE 177 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 59.94 3gk3 s ILE 177 Cb 0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3gk3 s ILE 177 CO 0.00 0.58 0.04 0.42 0.00 0.00 0.00 174.94 175.98 3gk3 s THR 178 N -0.47 4.19 -0.07 2.92 -4.23 -1.11 -4.23 115.64 112.65 3gk3 s THR 178 Ca 0.06 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3gk3 s THR 178 Cb -0.12 -3.04 0.02 0.00 1.34 0.00 0.00 72.50 70.70 3gk3 s THR 178 CO 0.02 0.06 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.39 3gk3 s VAL 179 N -1.44 0.87 0.04 2.29 1.01 -1.26 -1.99 120.40 119.91 3gk3 s VAL 179 Ca 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 3gk3 s VAL 179 Cb -0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 3gk3 s VAL 179 CO 0.20 0.31 -0.03 0.20 0.00 0.00 0.00 175.10 175.78 3gk3 s ASN 180 N 1.02 0.42 -0.13 3.32 0.01 -0.80 0.04 114.94 118.83 3gk3 s ASN 180 Ca -0.09 -0.80 -0.05 0.00 -0.71 0.00 0.00 52.86 51.21 3gk3 s ASN 180 Cb -0.14 0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.63 3gk3 s ASN 180 CO -0.00 -0.48 0.06 -0.89 -1.51 0.00 0.00 177.10 174.28 3gk3 s THR 181 N -2.94 4.83 -0.17 1.60 2.01 -0.25 -1.23 115.64 119.49 3gk3 s THR 181 Ca -0.02 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 3gk3 s THR 181 Cb 0.01 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 3gk3 s THR 181 CO -0.06 0.56 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.65 3gk3 s VAL 182 N -0.52 3.18 -0.64 3.82 1.01 -0.55 -1.02 120.40 125.68 3gk3 s VAL 182 Ca 0.10 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3gk3 s VAL 182 Cb -0.12 -2.38 0.16 0.00 0.00 0.00 0.00 36.38 34.04 3gk3 s VAL 182 CO 0.02 0.49 0.43 -0.44 0.00 0.00 0.00 175.10 175.60 3gk3 s SER 183 N 0.82 4.92 0.35 3.32 0.01 -0.10 -0.83 113.70 122.19 3gk3 s SER 183 Ca -0.03 -3.25 -0.17 0.00 1.31 0.00 0.00 55.95 53.81 3gk3 s SER 183 Cb -0.15 -1.74 -0.10 0.00 0.21 0.00 0.00 66.02 64.25 3gk3 s SER 183 CO 0.01 -0.23 0.80 -2.16 0.41 0.00 0.00 173.24 172.07 3gk3 s PRO 184 N -0.62 4.08 0.00 12.44 0.05 -1.26 -2.75 135.00 146.93 3gk3 s PRO 184 Ca 0.20 0.82 0.00 0.00 0.05 0.00 0.00 61.00 62.07 3gk3 s PRO 184 Cb -0.17 -2.37 0.00 0.00 0.05 0.00 0.00 34.50 32.01 3gk3 s PRO 184 CO -0.06 0.11 0.00 0.41 0.05 0.00 0.00 177.00 177.50 3gk3 n GLY 185 N -0.42 -0.23 3.74 0.56 0.00 -0.26 -1.83 105.19 106.74 3gk3 n GLY 185 Ca 0.04 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 3gk3 n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gk3 s TYR 186 N 0.27 3.16 0.20 1.61 2.02 -1.26 -4.90 117.35 118.44 3gk3 s TYR 186 Ca 0.00 1.12 0.10 0.00 -0.37 0.00 0.00 57.07 57.92 3gk3 s TYR 186 Cb 0.00 -3.70 -0.04 0.00 -0.40 0.00 0.00 41.96 37.82 3gk3 s TYR 186 CO 0.00 -2.25 -0.16 -0.51 -1.57 0.00 0.00 175.55 171.06 3gk3 s LEU 187 N -0.14 2.72 -1.03 -1.29 1.43 -1.26 -1.34 118.68 117.76 3gk3 s LEU 187 Ca 0.58 -0.74 -0.23 0.00 -1.03 0.00 0.00 54.13 52.71 3gk3 s LEU 187 Cb -0.39 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.46 3gk3 s LEU 187 CO 0.40 0.10 1.59 0.00 0.23 0.00 0.00 176.35 178.67 3gk3 s ALA 188 N -1.79 2.54 -0.00 4.21 0.00 0.12 -4.65 121.76 122.19 3gk3 s ALA 188 Ca 0.24 -2.18 0.08 0.00 0.00 0.00 0.00 51.96 50.10 3gk3 s ALA 188 Cb -0.08 -4.55 -0.02 0.00 0.00 0.00 0.00 23.12 18.47 3gk3 s ALA 188 CO 0.13 -3.87 -0.25 0.95 0.00 0.00 0.00 175.76 172.72 3gk3 s THR 189 N 6.09 1.95 0.42 0.00 -4.23 -1.26 -4.37 115.64 114.24 3gk3 s THR 189 Ca 0.52 -1.13 0.24 0.00 -1.18 0.00 0.00 61.69 60.14 3gk3 s THR 189 Cb -0.01 -1.63 0.43 0.00 1.34 0.00 0.00 72.50 72.63 3gk3 s THR 189 CO -0.06 0.48 1.71 0.00 -0.54 0.00 0.00 174.62 176.22 3gk3 h ALA 190 N 5.33 2.47 -0.20 3.99 0.00 -1.97 0.55 119.26 129.42 3gk3 h ALA 190 Ca -0.43 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.58 3gk3 h ALA 190 Cb 1.13 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3gk3 h ALA 190 CO 0.46 -0.96 -0.12 0.00 0.00 0.00 0.00 179.25 178.63 3gk3 n MET 191 N -4.64 -0.09 0.18 0.00 3.85 -1.26 -2.54 117.12 112.62 3gk3 n MET 191 Ca 0.30 1.07 0.05 0.00 -1.00 0.00 0.00 57.70 58.12 3gk3 n MET 191 Cb 1.11 -1.60 0.31 0.00 -1.05 0.00 0.00 33.22 31.99 3gk3 n MET 191 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3gk3 h VAL 192 N 0.00 0.93 0.00 3.17 2.07 -0.21 -2.04 116.25 120.17 3gk3 h VAL 192 Ca 0.03 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.96 3gk3 h VAL 192 Cb 0.08 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3gk3 h VAL 192 CO -0.19 0.39 0.00 -0.62 0.02 0.00 0.00 177.57 177.17 3gk3 n GLU 193 N -3.55 0.12 0.00 1.57 1.02 -0.58 -4.97 120.64 114.25 3gk3 n GLU 193 Ca -0.00 0.21 0.05 0.00 -0.02 0.00 0.00 57.16 57.39 3gk3 n GLU 193 Cb 0.52 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.72 3gk3 n GLU 193 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gk3 n ALA 194 N -1.28 2.20 0.00 0.62 0.00 -0.77 -5.07 120.51 116.21 3gk3 n ALA 194 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3gk3 n ALA 194 Cb 0.06 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3gk3 n ALA 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gk3 n ALA 202 N -0.73 0.00 -0.07 0.00 0.00 -1.26 -5.14 120.51 113.31 3gk3 n ALA 202 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 3gk3 n ALA 202 Cb 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 3gk3 n ALA 202 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3gk3 n LYS 203 N 0.00 1.38 -0.05 0.00 -0.00 -1.26 -4.81 118.16 113.42 3gk3 n LYS 203 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 58.31 58.32 3gk3 n LYS 203 Cb 0.00 -1.35 -0.01 0.00 -0.00 0.00 0.00 35.03 33.68 3gk3 n LYS 203 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 3gk3 h ILE 204 N 0.00 0.00 -0.14 0.58 1.08 -2.04 -3.40 117.51 113.59 3gk3 h ILE 204 Ca -0.37 -0.92 -0.03 0.00 -0.39 0.00 0.00 64.86 63.14 3gk3 h ILE 204 Cb 1.77 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 3gk3 h ILE 204 CO -0.00 0.00 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.33 3gk3 h LEU 205 N -0.92 0.19 -2.85 1.44 3.38 -1.93 0.16 115.31 114.77 3gk3 h LEU 205 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gk3 h LEU 205 Cb 0.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3gk3 h LEU 205 CO 0.00 0.28 0.00 -0.65 0.09 0.00 0.00 178.44 178.16 3gk3 h PRO 206 N 0.21 0.00 0.00 1.13 0.11 -1.87 0.89 132.00 132.46 3gk3 h PRO 206 Ca 0.05 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 3gk3 h PRO 206 Cb 0.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 3gk3 h PRO 206 CO 0.01 0.00 -0.09 1.96 -0.21 0.00 0.00 178.00 179.67 3gk3 h GLN 207 N 0.00 0.00 -4.85 1.05 4.20 -0.88 -3.44 115.11 111.19 3gk3 h GLN 207 Ca 0.00 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.05 3gk3 h GLN 207 Cb 0.04 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 27.60 3gk3 h GLN 207 CO 0.00 0.09 -0.57 0.42 -0.67 0.00 0.00 178.83 178.09 3gk3 s ILE 208 N -3.51 4.61 0.35 2.54 1.01 0.31 -4.36 121.20 122.14 3gk3 s ILE 208 Ca 0.03 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.45 3gk3 s ILE 208 Cb 0.08 -3.26 0.22 0.00 0.01 0.00 0.00 42.46 39.51 3gk3 s ILE 208 CO 0.61 0.18 1.96 -0.65 0.00 0.00 0.00 174.94 177.04 3gk3 h PRO 209 N 8.32 0.71 0.00 2.79 0.11 -1.75 -0.28 132.00 141.89 3gk3 h PRO 209 Ca -0.35 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gk3 h PRO 209 Cb 1.16 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3gk3 h PRO 209 CO 0.59 0.55 0.00 1.33 -0.21 0.00 0.00 178.00 180.26 3gk3 n VAL 210 N -4.38 0.50 -1.41 3.15 0.24 -0.91 -4.88 118.33 110.64 3gk3 n VAL 210 Ca 0.04 0.12 -0.08 0.00 -2.04 0.00 0.00 64.34 62.38 3gk3 n VAL 210 Cb 0.12 -0.77 -0.03 0.00 -1.47 0.00 0.00 33.84 31.70 3gk3 n VAL 210 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gk3 n GLY 211 N 0.63 0.85 3.43 7.63 0.00 -0.12 -5.00 105.19 112.62 3gk3 n GLY 211 Ca 0.06 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 3gk3 n GLY 211 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gk3 s ARG 212 N -3.03 1.31 0.35 1.61 1.70 -1.26 -5.02 118.95 114.61 3gk3 s ARG 212 Ca 0.00 -1.19 -0.25 0.00 -0.47 0.00 0.00 55.73 53.82 3gk3 s ARG 212 Cb 0.00 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 3gk3 s ARG 212 CO 0.00 -0.51 0.95 -0.51 -1.08 0.00 0.00 175.30 174.15 3gk3 s LEU 213 N -2.98 4.25 0.70 -1.89 1.43 -1.26 -4.96 118.68 113.96 3gk3 s LEU 213 Ca 0.19 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 3gk3 s LEU 213 Cb 0.02 -4.13 0.01 0.00 0.03 0.00 0.00 46.19 42.11 3gk3 s LEU 213 CO 0.03 -0.15 1.06 -0.83 0.23 0.00 0.00 176.35 176.70 3gk3 s GLY 214 N -1.73 1.70 0.05 -3.19 0.00 -0.45 -4.65 107.32 99.03 3gk3 s GLY 214 Ca 0.53 0.13 -0.16 0.00 0.00 0.00 0.00 44.72 45.21 3gk3 s GLY 214 CO 0.22 0.44 0.48 0.50 0.00 0.00 0.00 173.10 174.74 3gk3 s ARG 215 N -4.97 4.03 0.34 2.90 0.52 -1.26 0.15 118.95 120.66 3gk3 s ARG 215 Ca 0.59 0.54 0.03 0.00 -0.52 0.00 0.00 55.73 56.37 3gk3 s ARG 215 Cb -0.14 -3.19 0.65 0.00 0.52 0.00 0.00 34.95 32.78 3gk3 s ARG 215 CO 0.54 0.65 1.96 -1.35 0.02 0.00 0.00 175.30 177.12 3gk3 h PRO 216 N 4.50 0.84 -0.32 3.54 0.11 -1.91 -0.54 132.00 138.22 3gk3 h PRO 216 Ca -0.50 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.65 3gk3 h PRO 216 Cb 1.21 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3gk3 h PRO 216 CO 0.63 0.56 0.39 0.22 -0.21 0.00 0.00 178.00 179.59 3gk3 h ASP 217 N 0.87 0.00 0.01 -2.05 3.58 -1.91 -0.55 116.42 116.36 3gk3 h ASP 217 Ca 0.31 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 3gk3 h ASP 217 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 3gk3 h ASP 217 CO -0.09 0.00 -0.00 -0.33 -2.88 0.00 0.00 179.24 175.93 3gk3 h GLU 218 N 0.00 -0.01 -0.80 0.28 5.08 -1.48 -1.98 114.58 115.67 3gk3 h GLU 218 Ca 0.15 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.67 3gk3 h GLU 218 Cb 0.93 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.08 3gk3 h GLU 218 CO -0.00 0.81 0.34 0.28 -1.00 0.00 0.00 179.01 179.43 3gk3 h VAL 219 N -0.85 0.63 -0.29 3.13 2.07 -1.45 -1.39 116.25 118.10 3gk3 h VAL 219 Ca -0.00 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 3gk3 h VAL 219 Cb 0.82 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3gk3 h VAL 219 CO 0.00 0.08 -0.23 0.00 0.02 0.00 0.00 177.57 177.44 3gk3 h ALA 220 N 1.59 1.05 -0.23 1.67 0.00 -1.03 -1.84 119.26 120.48 3gk3 h ALA 220 Ca 0.45 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3gk3 h ALA 220 Cb 0.72 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3gk3 h ALA 220 CO -0.43 0.57 0.07 0.00 0.00 0.00 0.00 179.25 179.47 3gk3 h ALA 221 N 1.26 0.25 -0.36 0.00 0.00 -0.48 -0.13 119.26 119.79 3gk3 h ALA 221 Ca 0.07 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3gk3 h ALA 221 Cb 0.67 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3gk3 h ALA 221 CO 0.05 -0.35 0.01 1.25 0.00 0.00 0.00 179.25 180.21 3gk3 h LEU 222 N 0.17 -0.12 -1.19 0.00 5.85 -0.94 -0.71 115.31 118.38 3gk3 h LEU 222 Ca 0.10 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3gk3 h LEU 222 Cb 0.07 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3gk3 h LEU 222 CO -0.11 -0.02 -0.28 0.40 -0.34 0.00 0.00 178.44 178.09 3gk3 h ILE 223 N 0.11 1.24 -0.65 4.05 2.04 -1.07 -1.36 117.51 121.88 3gk3 h ILE 223 Ca 0.17 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.80 3gk3 h ILE 223 Cb 0.23 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3gk3 h ILE 223 CO -0.28 0.35 0.11 0.00 0.00 0.00 0.00 178.15 178.32 3gk3 h ALA 224 N 1.53 0.86 -0.15 1.87 0.00 -0.46 -0.56 119.26 122.34 3gk3 h ALA 224 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3gk3 h ALA 224 Cb 0.59 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3gk3 h ALA 224 CO 0.04 0.62 0.10 0.35 0.00 0.00 0.00 179.25 180.36 3gk3 h PHE 225 N 0.99 0.20 -0.85 0.00 3.57 -0.08 -2.84 116.94 117.94 3gk3 h PHE 225 Ca 0.20 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3gk3 h PHE 225 Cb 0.43 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3gk3 h PHE 225 CO 0.03 0.15 0.45 -0.07 -2.23 0.00 0.00 178.31 176.64 3gk3 h LEU 226 N 0.19 1.07 0.00 0.59 3.38 -1.08 -1.32 115.31 118.13 3gk3 h LEU 226 Ca 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3gk3 h LEU 226 Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3gk3 h LEU 226 CO -0.01 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.39 3gk3 s SER 228 N -2.67 4.06 0.00 0.00 1.04 -0.50 -4.95 113.70 110.67 3gk3 s SER 228 Ca 0.18 0.35 0.28 0.00 0.48 0.00 0.00 55.95 57.24 3gk3 s SER 228 Cb 0.14 -0.71 1.50 0.00 0.10 0.00 0.00 66.02 67.05 3gk3 s SER 228 CO 0.33 -2.12 1.98 0.47 0.98 0.00 0.00 173.24 174.88 3gk3 n ASP 229 N -3.31 0.00 -0.59 7.02 8.00 -1.26 -3.00 116.55 123.40 3gk3 n ASP 229 Ca 0.12 -0.40 0.13 0.00 0.71 0.00 0.00 54.79 55.35 3gk3 n ASP 229 Cb 0.60 -0.18 0.38 0.00 -0.02 0.00 0.00 41.12 41.91 3gk3 n ASP 229 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gk3 n ASP 230 N -1.18 1.87 -0.83 -2.24 8.00 -1.26 -4.36 116.55 116.54 3gk3 n ASP 230 Ca 0.16 -1.58 0.03 0.00 0.71 0.00 0.00 54.79 54.11 3gk3 n ASP 230 Cb 0.17 0.03 0.21 0.00 -0.02 0.00 0.00 41.12 41.51 3gk3 n ASP 230 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gk3 n ALA 231 N 0.40 3.49 1.48 2.24 0.00 -1.16 -4.72 120.51 122.23 3gk3 n ALA 231 Ca 0.17 -2.82 0.08 0.00 0.00 0.00 0.00 53.44 50.86 3gk3 n ALA 231 Cb 0.42 -0.63 0.47 0.00 0.00 0.00 0.00 19.45 19.72 3gk3 n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk3 n GLY 232 N -1.00 -0.74 0.29 0.00 0.00 -1.26 -2.14 105.19 100.35 3gk3 n GLY 232 Ca 0.25 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.20 3gk3 n GLY 232 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3gk3 n PHE 233 N -0.84 0.09 -3.45 1.61 7.35 -1.26 -4.87 117.46 116.10 3gk3 n PHE 233 Ca 0.12 -0.17 -0.42 0.00 -0.76 0.00 0.00 57.45 56.22 3gk3 n PHE 233 Cb 0.05 -0.01 -0.10 0.00 0.35 0.00 0.00 39.48 39.77 3gk3 n PHE 233 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3gk3 s VAL 234 N -0.69 5.22 -0.13 -2.13 1.01 -0.91 -5.05 120.40 117.71 3gk3 s VAL 234 Ca 0.09 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 3gk3 s VAL 234 Cb 0.06 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.65 3gk3 s VAL 234 CO 0.08 -0.18 0.69 0.28 0.00 0.00 0.00 175.10 175.97 3gk3 s THR 235 N 1.83 0.00 -0.22 3.92 -1.32 -1.26 -4.62 115.64 113.98 3gk3 s THR 235 Ca 0.08 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 3gk3 s THR 235 Cb -0.18 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.82 3gk3 s THR 235 CO 0.11 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.13 3gk3 n GLY 236 N 1.61 0.50 3.96 6.08 0.00 0.11 -4.94 105.19 112.51 3gk3 n GLY 236 Ca -0.17 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 3gk3 n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gk3 s ALA 237 N -1.84 3.89 -0.32 4.61 0.00 -1.26 -4.61 121.76 122.24 3gk3 s ALA 237 Ca 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 3gk3 s ALA 237 Cb 0.00 -1.82 0.06 0.00 0.00 0.00 0.00 23.12 21.36 3gk3 s ALA 237 CO 0.00 0.27 0.03 0.34 0.00 0.00 0.00 175.76 176.40 3gk3 s ASP 238 N -3.79 4.94 -0.37 0.00 2.15 -1.26 -1.09 116.67 117.26 3gk3 s ASP 238 Ca 0.35 -1.39 -0.21 0.00 0.43 0.00 0.00 52.55 51.73 3gk3 s ASP 238 Cb -0.10 -1.73 0.01 0.00 -0.30 0.00 0.00 42.92 40.80 3gk3 s ASP 238 CO 0.30 -0.30 0.65 -0.76 -0.17 0.00 0.00 175.17 174.89 3gk3 s LEU 239 N 1.23 4.27 -0.06 -1.34 1.02 -0.19 -4.95 118.68 118.66 3gk3 s LEU 239 Ca -0.03 0.11 -0.14 0.00 0.02 0.00 0.00 54.13 54.10 3gk3 s LEU 239 Cb -0.20 -2.80 -0.05 0.00 0.02 0.00 0.00 46.19 43.16 3gk3 s LEU 239 CO -0.02 -0.62 0.35 0.00 0.02 0.00 0.00 176.35 176.07 3gk3 s ALA 240 N 2.75 3.69 -0.42 4.21 0.00 -1.26 -0.92 121.76 129.81 3gk3 s ALA 240 Ca 0.25 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.91 3gk3 s ALA 240 Cb -0.14 -2.34 0.17 0.00 0.00 0.00 0.00 23.12 20.81 3gk3 s ALA 240 CO 0.15 0.38 0.38 -1.50 0.00 0.00 0.00 175.76 175.18 3gk3 s ILE 241 N -0.60 0.10 -0.03 0.00 2.07 -1.11 -4.96 121.20 116.67 3gk3 s ILE 241 Ca 0.21 -2.24 0.04 0.00 -1.41 0.00 0.00 60.65 57.25 3gk3 s ILE 241 Cb -0.15 -1.04 0.06 0.00 0.13 0.00 0.00 42.46 41.47 3gk3 s ILE 241 CO 0.10 -1.01 0.91 -0.46 -1.91 0.00 0.00 174.94 172.56 3gk3 n ASN 242 N 3.06 0.78 -0.36 4.50 0.23 -1.26 -1.10 115.26 121.11 3gk3 n ASN 242 Ca 0.26 -1.98 -0.05 0.00 -0.53 0.00 0.00 54.58 52.28 3gk3 n ASN 242 Cb 0.48 -0.17 -0.02 0.00 -2.08 0.00 0.00 39.78 37.99 3gk3 n ASN 242 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gk3 n GLY 243 N -0.38 0.63 1.40 4.83 0.00 -1.26 -1.66 105.19 108.75 3gk3 n GLY 243 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3gk3 n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gk3 n GLY 244 N -0.96 0.75 0.34 -0.02 0.00 -1.26 -2.14 105.19 101.90 3gk3 n GLY 244 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.14 3gk3 n GLY 244 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3gk3 h MET 245 N 3.82 0.00 -3.04 1.61 1.85 -1.51 -3.41 114.93 114.25 3gk3 h MET 245 Ca 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 58.93 3gk3 h MET 245 Cb 0.00 0.00 -0.26 0.00 0.43 0.00 0.00 31.60 31.77 3gk3 h MET 245 CO 0.00 0.00 -0.40 -1.58 -0.40 0.00 0.00 176.91 174.53 3gk3 s HIS 246 N -4.90 -0.32 0.13 1.39 5.65 -1.26 -4.98 115.29 111.01 3gk3 s HIS 246 Ca -0.05 0.77 -0.02 0.00 0.25 0.00 0.00 55.06 56.01 3gk3 s HIS 246 Cb 0.17 0.10 -0.03 0.00 -1.18 0.00 0.00 32.58 31.64 3gk3 s HIS 246 CO 0.65 -0.16 0.09 -1.64 -0.65 0.00 0.00 174.74 173.03 3gk3 s MET 247 N 0.31 0.96 0.00 2.88 -1.94 -1.26 -4.94 119.30 115.32 3gk3 s MET 247 Ca -0.01 -1.39 0.00 0.00 -1.71 0.00 0.00 55.69 52.58 3gk3 s MET 247 Cb -0.03 0.27 0.00 0.00 2.01 0.00 0.00 34.83 37.07 3gk3 s MET 247 CO -0.01 -0.29 0.00 0.43 -0.01 0.00 0.00 175.02 175.14