#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk3 n LYS 4 N 0.00 2.61 -1.97 0.00 4.81 -1.26 -4.94 118.16 117.42 3gk3 n LYS 4 Ca 0.00 0.92 -0.42 0.00 -0.87 0.00 0.00 58.31 57.94 3gk3 n LYS 4 Cb 0.00 -2.65 -0.03 0.00 0.02 0.00 0.00 35.03 32.37 3gk3 n LYS 4 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3gk3 s ARG 5 N -1.49 4.23 -0.14 1.64 0.52 -1.26 -4.81 118.95 117.65 3gk3 s ARG 5 Ca 0.58 2.33 -0.03 0.00 -0.52 0.00 0.00 55.73 58.09 3gk3 s ARG 5 Cb -0.50 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 31.81 3gk3 s ARG 5 CO 0.58 -0.54 -0.05 0.08 0.02 0.00 0.00 175.30 175.39 3gk3 s VAL 6 N 0.73 3.82 -0.06 3.52 1.01 -1.26 -0.17 120.40 127.99 3gk3 s VAL 6 Ca 0.66 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.30 3gk3 s VAL 6 Cb -0.43 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 3gk3 s VAL 6 CO 0.36 0.52 -0.23 0.00 0.00 0.00 0.00 175.10 175.75 3gk3 s ALA 7 N 0.12 1.98 -0.22 5.51 0.00 -0.14 -0.66 121.76 128.34 3gk3 s ALA 7 Ca -0.01 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 3gk3 s ALA 7 Cb -0.14 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 3gk3 s ALA 7 CO 0.03 0.35 -0.02 0.12 0.00 0.00 0.00 175.76 176.25 3gk3 s PHE 8 N -0.01 2.99 -0.36 0.00 5.36 0.25 -0.49 117.98 125.73 3gk3 s PHE 8 Ca -0.06 -0.77 -0.00 0.00 -0.96 0.00 0.00 56.93 55.13 3gk3 s PHE 8 Cb -0.14 -2.12 0.09 0.00 -0.34 0.00 0.00 43.02 40.51 3gk3 s PHE 8 CO 0.04 -0.47 0.10 0.08 -1.46 0.00 0.00 175.22 173.51 3gk3 s VAL 9 N 1.43 2.84 0.66 3.12 1.01 -0.37 -1.27 120.40 127.82 3gk3 s VAL 9 Ca 0.05 -2.00 -0.15 0.00 0.00 0.00 0.00 61.98 59.88 3gk3 s VAL 9 Cb -0.14 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.32 3gk3 s VAL 9 CO -0.01 -0.51 1.11 0.42 0.00 0.00 0.00 175.10 176.11 3gk3 s THR 10 N 1.08 3.24 -1.20 3.92 -4.23 -0.89 -1.79 115.64 115.77 3gk3 s THR 10 Ca 0.06 0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 61.12 3gk3 s THR 10 Cb -0.21 -3.09 0.01 0.00 1.34 0.00 0.00 72.50 70.55 3gk3 s THR 10 CO -0.05 -0.36 0.10 0.61 -0.54 0.00 0.00 174.62 174.38 3gk3 n GLY 11 N -0.54 -0.50 0.00 3.99 0.00 -1.16 -2.72 105.19 104.26 3gk3 n GLY 11 Ca 0.10 0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.92 -0.49 0.11 -0.02 0.00 -0.47 -1.27 105.19 102.13 3gk3 n GLY 12 Ca -0.14 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.37 2.31 -0.35 1.61 2.81 -1.26 -1.17 117.12 119.71 3gk3 n MET 13 Ca 0.01 -0.25 -0.27 0.00 -1.81 0.00 0.00 57.70 55.39 3gk3 n MET 13 Cb 0.03 -1.16 0.25 0.00 -0.71 0.00 0.00 33.22 31.63 3gk3 n MET 13 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gk3 n GLY 14 N 1.24 -3.30 0.19 3.03 0.00 -0.39 -4.40 105.19 101.54 3gk3 n GLY 14 Ca 0.04 -1.38 -0.04 0.00 0.00 0.00 0.00 46.02 44.64 3gk3 n GLY 14 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gk3 h GLY 15 N -3.26 0.36 0.60 -0.02 0.00 -1.95 -1.47 103.07 97.32 3gk3 h GLY 15 Ca -0.38 0.14 -0.35 0.00 0.00 0.00 0.00 47.33 46.74 3gk3 h GLY 15 CO 0.25 -0.17 -2.00 -0.10 0.00 0.00 0.00 176.54 174.51 3gk3 n LEU 16 N -5.32 1.87 -0.09 3.11 7.94 -1.26 -3.67 117.00 119.58 3gk3 n LEU 16 Ca 0.04 0.21 -0.06 0.00 -1.11 0.00 0.00 56.01 55.09 3gk3 n LEU 16 Cb 0.25 -0.53 0.01 0.00 0.53 0.00 0.00 43.42 43.68 3gk3 n LEU 16 CO 0.13 0.68 0.88 1.23 -1.11 0.00 0.00 177.39 179.21 3gk3 h GLY 17 N 2.26 0.35 1.52 -3.96 0.00 -1.68 -0.92 103.07 100.65 3gk3 h GLY 17 Ca -0.41 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 3gk3 h GLY 17 CO 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 176.54 176.58 3gk3 h ALA 18 N 1.25 1.32 -0.41 3.60 0.00 -0.02 0.37 119.26 125.37 3gk3 h ALA 18 Ca 0.15 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3gk3 h ALA 18 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3gk3 h ALA 18 CO -0.22 0.47 -0.25 0.00 0.00 0.00 0.00 179.25 179.25 3gk3 h ALA 19 N 1.45 0.78 0.02 0.00 0.00 -1.56 -2.27 119.26 117.69 3gk3 h ALA 19 Ca 0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gk3 h ALA 19 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3gk3 h ALA 19 CO 0.01 0.65 -0.01 0.82 0.00 0.00 0.00 179.25 180.72 3gk3 h ILE 20 N 0.74 1.21 -0.11 0.00 2.04 -0.65 -2.24 117.51 118.50 3gk3 h ILE 20 Ca 0.09 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.26 3gk3 h ILE 20 Cb 0.79 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 38.52 3gk3 h ILE 20 CO 0.07 0.19 -0.26 0.28 0.00 0.00 0.00 178.15 178.42 3gk3 h SER 21 N -0.35 -0.81 -0.72 1.72 0.02 -0.98 -0.35 113.55 112.08 3gk3 h SER 21 Ca -0.00 0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 3gk3 h SER 21 Cb 0.33 0.35 -0.07 0.00 0.14 0.00 0.00 62.40 63.15 3gk3 h SER 21 CO 0.01 -0.31 0.37 0.03 -1.14 0.00 0.00 176.83 175.78 3gk3 h ARG 22 N -0.34 0.61 -0.51 3.45 3.08 -1.37 -0.74 114.38 118.55 3gk3 h ARG 22 Ca 0.09 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3gk3 h ARG 22 Cb 0.48 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3gk3 h ARG 22 CO -0.30 0.41 0.14 0.00 -1.07 0.00 0.00 179.97 179.14 3gk3 h ARG 23 N 0.63 0.77 0.01 0.04 2.47 -0.90 -1.05 114.38 116.36 3gk3 h ARG 23 Ca 0.35 -0.14 -0.20 0.00 -1.26 0.00 0.00 59.98 58.72 3gk3 h ARG 23 Cb 0.35 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 3gk3 h ARG 23 CO -0.26 0.69 -0.91 -0.07 0.56 0.00 0.00 179.97 179.97 3gk3 h LEU 24 N 0.75 0.24 -0.23 3.04 3.38 -0.05 -1.13 115.31 121.30 3gk3 h LEU 24 Ca 0.17 -0.20 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 3gk3 h LEU 24 Cb 0.26 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3gk3 h LEU 24 CO -0.00 1.03 -0.47 -0.74 0.09 0.00 0.00 178.44 178.35 3gk3 h HIS 25 N 0.09 0.92 0.00 1.13 2.76 -1.09 -0.67 115.15 118.30 3gk3 h HIS 25 Ca -0.05 -0.33 -0.02 0.00 -2.20 0.00 0.00 60.37 57.77 3gk3 h HIS 25 Cb 1.56 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 30.35 3gk3 h HIS 25 CO 0.03 1.12 -0.09 -0.44 -1.30 0.00 0.00 177.93 177.25 3gk3 h ASP 26 N 0.45 0.00 0.41 3.26 3.32 -1.09 0.24 116.42 123.01 3gk3 h ASP 26 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gk3 h ASP 26 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3gk3 h ASP 26 CO 0.10 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.71 3gk3 n ALA 27 N -2.15 2.22 -0.40 3.45 0.00 -0.44 -4.89 120.51 118.30 3gk3 n ALA 27 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3gk3 n ALA 27 Cb 0.36 -1.38 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 0.70 0.92 3.92 0.00 0.00 0.83 -5.07 105.19 106.49 3gk3 n GLY 28 Ca 0.12 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.93 3.52 -0.27 1.61 -1.94 -0.27 -4.62 119.30 116.39 3gk3 s MET 29 Ca 0.00 -0.34 -0.28 0.00 -1.71 0.00 0.00 55.69 53.35 3gk3 s MET 29 Cb 0.00 -2.86 0.01 0.00 2.01 0.00 0.00 34.83 33.99 3gk3 s MET 29 CO 0.00 0.43 1.03 0.00 -0.01 0.00 0.00 175.02 176.47 3gk3 s ALA 30 N -1.82 3.59 -0.16 3.03 0.00 0.75 -4.27 121.76 122.89 3gk3 s ALA 30 Ca 0.38 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.33 3gk3 s ALA 30 Cb -0.11 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 3gk3 s ALA 30 CO 0.28 -1.25 -0.06 0.08 0.00 0.00 0.00 175.76 174.82 3gk3 s VAL 31 N 3.37 3.63 -0.08 0.00 1.01 -1.26 -0.97 120.40 126.10 3gk3 s VAL 31 Ca 0.43 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 3gk3 s VAL 31 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 3gk3 s VAL 31 CO 0.11 0.49 0.02 0.00 0.00 0.00 0.00 175.10 175.71 3gk3 s ALA 32 N 0.54 3.34 0.04 5.51 0.00 0.36 -3.19 121.76 128.36 3gk3 s ALA 32 Ca -0.04 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.20 3gk3 s ALA 32 Cb -0.15 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 3gk3 s ALA 32 CO 0.03 0.60 -0.23 0.14 0.00 0.00 0.00 175.76 176.30 3gk3 s VAL 33 N -0.92 2.43 0.23 0.00 -7.23 -0.57 -1.23 120.40 113.10 3gk3 s VAL 33 Ca 0.14 -1.28 0.06 0.00 -1.81 0.00 0.00 61.98 59.09 3gk3 s VAL 33 Cb -0.11 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 3gk3 s VAL 33 CO 0.03 0.37 0.24 -0.94 -0.31 0.00 0.00 175.10 174.49 3gk3 s SER 34 N -1.28 5.82 0.10 4.85 1.04 -0.74 -0.90 113.70 122.59 3gk3 s SER 34 Ca 0.13 -0.11 -0.25 0.00 0.48 0.00 0.00 55.95 56.20 3gk3 s SER 34 Cb -0.10 -1.58 0.08 0.00 0.10 0.00 0.00 66.02 64.52 3gk3 s SER 34 CO 0.03 -0.02 0.76 -1.38 0.98 0.00 0.00 173.24 173.61 3gk3 s HIS 35 N -2.00 -0.40 -0.51 5.02 -0.00 -0.07 -1.37 115.29 115.96 3gk3 s HIS 35 Ca 0.33 0.19 0.07 0.00 -0.00 0.00 0.00 55.06 55.65 3gk3 s HIS 35 Cb -0.09 0.57 0.28 0.00 -0.00 0.00 0.00 32.58 33.34 3gk3 s HIS 35 CO 0.26 -0.75 0.70 -1.13 -0.00 0.00 0.00 174.74 173.82 3gk3 n SER 36 N -0.34 2.26 -4.53 7.38 3.41 -1.26 0.11 113.62 120.65 3gk3 n SER 36 Ca -0.12 -3.17 -0.25 0.00 -0.26 0.00 0.00 58.87 55.08 3gk3 n SER 36 Cb 0.63 -0.64 -0.11 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.19 1.78 0.65 4.33 8.01 -1.26 -5.05 118.70 124.97 3gk3 s GLU 37 Ca 0.40 -1.98 -0.16 0.00 0.01 0.00 0.00 54.97 53.23 3gk3 s GLU 37 Cb 0.20 -1.32 -0.01 0.00 -4.31 0.00 0.00 34.13 28.70 3gk3 s GLU 37 CO -0.07 -0.06 1.14 -0.98 0.01 0.00 0.00 175.26 175.29 3gk3 s ARG 38 N -3.76 2.77 0.44 1.61 3.03 -1.26 -4.83 118.95 116.94 3gk3 s ARG 38 Ca 0.34 1.55 0.19 0.00 2.03 0.00 0.00 55.73 59.84 3gk3 s ARG 38 Cb 0.08 -1.93 1.13 0.00 -1.03 0.00 0.00 34.95 33.20 3gk3 s ARG 38 CO 0.16 -1.30 1.89 -0.91 -1.13 0.00 0.00 175.30 174.01 3gk3 h ASN 39 N 0.24 0.34 -0.19 -2.89 2.35 -2.01 -2.24 115.58 111.18 3gk3 h ASN 39 Ca -0.48 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.24 3gk3 h ASN 39 Cb 1.26 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.59 3gk3 h ASN 39 CO 0.54 0.15 -0.10 0.44 -1.65 0.00 0.00 177.43 176.80 3gk3 h ASP 40 N 0.34 0.42 0.21 5.81 3.32 -1.98 0.63 116.42 125.18 3gk3 h ASP 40 Ca 0.42 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gk3 h ASP 40 Cb 1.11 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 3gk3 h ASP 40 CO -0.13 0.75 -0.42 0.45 -1.72 0.00 0.00 179.24 178.17 3gk3 h HIS 41 N 0.09 -1.20 -0.87 4.55 3.86 -1.81 0.67 115.15 120.44 3gk3 h HIS 41 Ca 0.04 0.02 0.16 0.00 -1.16 0.00 0.00 60.37 59.44 3gk3 h HIS 41 Cb 0.59 0.50 -0.07 0.00 1.06 0.00 0.00 27.41 29.49 3gk3 h HIS 41 CO 0.07 -0.50 0.57 0.28 0.86 0.00 0.00 177.93 179.20 3gk3 h VAL 42 N -0.68 0.78 -0.04 2.45 2.07 -1.24 -0.27 116.25 119.33 3gk3 h VAL 42 Ca -0.02 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 3gk3 h VAL 42 Cb 0.64 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3gk3 h VAL 42 CO -0.17 0.10 -0.31 -1.28 0.02 0.00 0.00 177.57 175.94 3gk3 h SER 43 N 0.57 0.33 -0.43 0.57 0.87 0.89 -1.00 113.55 115.35 3gk3 h SER 43 Ca 0.44 -0.70 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 3gk3 h SER 43 Cb 0.87 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 3gk3 h SER 43 CO -0.19 0.98 0.17 0.74 -0.53 0.00 0.00 176.83 178.00 3gk3 h THR 44 N -0.29 1.19 -0.14 2.23 2.02 -0.26 -1.43 112.91 116.24 3gk3 h THR 44 Ca -0.03 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 3gk3 h THR 44 Cb 0.99 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3gk3 h THR 44 CO 0.06 0.24 -0.03 -0.25 0.37 0.00 0.00 175.52 175.91 3gk3 h TRP 45 N 0.70 0.29 0.00 3.16 7.01 -0.91 -2.00 115.95 124.20 3gk3 h TRP 45 Ca 0.17 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 3gk3 h TRP 45 Cb 0.18 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.16 3gk3 h TRP 45 CO 0.01 0.55 -0.12 -0.07 -2.79 0.00 0.00 178.44 176.01 3gk3 h LEU 46 N -0.04 0.00 0.02 0.65 4.07 -0.93 -1.35 115.31 117.72 3gk3 h LEU 46 Ca 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 3gk3 h LEU 46 Cb 0.45 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.19 3gk3 h LEU 46 CO 0.01 0.12 -0.22 -0.03 -1.08 0.00 0.00 178.44 177.25 3gk3 h MET 47 N 0.00 0.12 -0.63 1.13 4.05 -1.06 -0.45 114.93 118.09 3gk3 h MET 47 Ca -0.00 -0.15 -0.07 0.00 -0.28 0.00 0.00 59.70 59.20 3gk3 h MET 47 Cb 0.22 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 3gk3 h MET 47 CO 0.02 0.96 0.13 0.45 0.23 0.00 0.00 176.91 178.70 3gk3 h HIS 48 N -0.66 1.06 -0.06 1.39 3.86 -1.16 0.61 115.15 120.18 3gk3 h HIS 48 Ca -0.03 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3gk3 h HIS 48 Cb 1.06 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 29.22 3gk3 h HIS 48 CO 0.21 0.89 0.04 0.93 0.86 0.00 0.00 177.93 180.86 3gk3 h GLU 49 N 0.96 0.08 -0.88 2.45 4.39 -1.27 -1.31 114.58 119.01 3gk3 h GLU 49 Ca 0.20 -0.01 0.16 0.00 0.34 0.00 0.00 59.36 60.06 3gk3 h GLU 49 Cb 0.38 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.94 3gk3 h GLU 49 CO 0.01 0.06 0.57 0.00 -1.16 0.00 0.00 179.01 178.48 3gk3 h ARG 50 N 0.09 0.55 0.00 2.33 -0.00 -0.36 0.48 114.38 117.46 3gk3 h ARG 50 Ca 0.02 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.98 59.39 3gk3 h ARG 50 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 29.83 3gk3 h ARG 50 CO -0.01 0.36 -0.40 -0.44 0.00 0.00 0.00 179.97 179.49 3gk3 h ASP 51 N 0.57 0.00 -0.39 7.04 3.32 0.08 -2.66 116.42 124.37 3gk3 h ASP 51 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3gk3 h ASP 51 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3gk3 h ASP 51 CO -0.19 0.40 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 3gk3 n ALA 52 N -2.34 3.41 -0.46 3.45 0.00 0.05 -4.88 120.51 119.75 3gk3 n ALA 52 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.16 3gk3 n ALA 52 Cb 0.50 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 0.44 0.76 3.24 0.00 0.00 -1.00 -5.05 105.19 103.58 3gk3 n GLY 53 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.54 2.61 -0.57 1.61 0.52 -0.58 -4.98 118.95 117.02 3gk3 s ARG 54 Ca 0.00 -0.87 -0.03 0.00 -0.52 0.00 0.00 55.73 54.31 3gk3 s ARG 54 Cb 0.00 -2.14 0.15 0.00 0.52 0.00 0.00 34.95 33.48 3gk3 s ARG 54 CO 0.00 0.31 0.39 0.16 0.02 0.00 0.00 175.30 176.18 3gk3 s ASP 55 N -0.00 5.26 0.19 0.23 -4.77 -1.26 -1.94 116.67 114.37 3gk3 s ASP 55 Ca -0.08 -2.65 0.05 0.00 -3.30 0.00 0.00 52.55 46.58 3gk3 s ASP 55 Cb -0.15 -1.85 -0.04 0.00 -1.09 0.00 0.00 42.92 39.79 3gk3 s ASP 55 CO 0.05 -0.42 0.20 -0.36 0.70 0.00 0.00 175.17 175.34 3gk3 s PHE 56 N 0.24 3.22 -0.04 2.11 0.08 -1.26 -4.79 117.98 117.54 3gk3 s PHE 56 Ca 0.15 -0.02 0.05 0.00 0.12 0.00 0.00 56.93 57.23 3gk3 s PHE 56 Cb -0.21 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 3gk3 s PHE 56 CO -0.04 0.51 -0.20 0.15 -0.10 0.00 0.00 175.22 175.55 3gk3 s LYS 57 N -3.39 1.91 0.06 0.44 1.02 -1.19 -5.04 119.74 113.54 3gk3 s LYS 57 Ca 0.32 -0.72 0.06 0.00 0.02 0.00 0.00 55.97 55.66 3gk3 s LYS 57 Cb -0.10 -1.71 -0.04 0.00 -0.52 0.00 0.00 37.83 35.47 3gk3 s LYS 57 CO 0.25 0.34 -0.13 0.00 -0.92 0.00 0.00 175.35 174.89 3gk3 s ALA 58 N -0.18 2.81 -0.01 5.17 0.00 -1.26 -1.51 121.76 126.77 3gk3 s ALA 58 Ca 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.81 3gk3 s ALA 58 Cb -0.11 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 3gk3 s ALA 58 CO 0.02 0.60 -0.11 0.71 0.00 0.00 0.00 175.76 176.98 3gk3 s TYR 59 N -1.05 1.01 0.17 0.00 2.02 -0.08 -4.95 117.35 114.47 3gk3 s TYR 59 Ca 0.17 -0.21 -0.30 0.00 -0.37 0.00 0.00 57.07 56.36 3gk3 s TYR 59 Cb -0.11 -0.67 -0.08 0.00 -0.40 0.00 0.00 41.96 40.71 3gk3 s TYR 59 CO 0.09 -0.04 1.16 0.00 -1.57 0.00 0.00 175.55 175.19 3gk3 s ALA 60 N -0.14 3.41 0.03 3.71 0.00 -1.26 -0.89 121.76 126.62 3gk3 s ALA 60 Ca 0.02 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 3gk3 s ALA 60 Cb -0.06 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.70 3gk3 s ALA 60 CO -0.00 -0.32 0.40 0.54 0.00 0.00 0.00 175.76 176.38 3gk3 s VAL 61 N 0.01 0.06 -0.44 0.00 0.11 0.12 -4.66 120.40 115.59 3gk3 s VAL 61 Ca 0.52 -0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 59.10 3gk3 s VAL 61 Cb -0.31 -0.90 0.12 0.00 -1.53 0.00 0.00 36.38 33.76 3gk3 s VAL 61 CO 0.35 -0.25 0.22 -0.62 -3.33 0.00 0.00 175.10 171.47 3gk3 s ASP 62 N -1.85 5.11 0.46 3.54 2.15 -1.26 -4.11 116.67 120.71 3gk3 s ASP 62 Ca -0.07 -2.26 0.32 0.00 0.43 0.00 0.00 52.55 50.97 3gk3 s ASP 62 Cb -0.01 -1.79 1.60 0.00 -0.30 0.00 0.00 42.92 42.42 3gk3 s ASP 62 CO -0.01 -0.47 1.96 -0.37 -0.17 0.00 0.00 175.17 176.12 3gk3 h VAL 63 N 6.16 0.00 0.00 1.11 -1.51 -1.96 0.18 116.25 120.23 3gk3 h VAL 63 Ca -0.09 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 3gk3 h VAL 63 Cb 1.02 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 3gk3 h VAL 63 CO 0.67 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.01 3gk3 n ALA 64 N -1.92 2.27 -4.01 5.19 0.00 -1.26 -4.01 120.51 116.77 3gk3 n ALA 64 Ca -0.01 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 3gk3 n ALA 64 Cb 0.11 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 17.99 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 -2.70 3.93 0.08 0.00 2.15 0.62 -4.86 116.67 115.89 3gk3 s ASP 65 Ca 0.21 -1.01 -0.32 0.00 0.43 0.00 0.00 52.55 51.86 3gk3 s ASP 65 Cb 0.17 -1.55 -0.15 0.00 -0.30 0.00 0.00 42.92 41.09 3gk3 s ASP 65 CO 0.42 -0.11 1.50 0.15 -0.17 0.00 0.00 175.17 176.96 3gk3 h PHE 66 N 7.89 -1.30 -0.86 -5.34 3.57 -1.83 -1.85 116.94 117.23 3gk3 h PHE 66 Ca -0.32 0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.41 3gk3 h PHE 66 Cb 1.09 0.51 -0.13 0.00 2.79 0.00 0.00 35.95 40.21 3gk3 h PHE 66 CO 0.56 -0.60 0.25 0.93 -2.23 0.00 0.00 178.31 177.22 3gk3 h GLU 67 N -0.88 0.24 -0.65 1.11 3.07 -1.94 0.58 114.58 116.11 3gk3 h GLU 67 Ca -0.05 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.76 3gk3 h GLU 67 Cb 0.78 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.60 3gk3 h GLU 67 CO -0.09 0.16 0.27 1.03 -1.40 0.00 0.00 179.01 178.98 3gk3 h SER 68 N 0.25 0.86 -0.73 1.42 0.87 -1.72 -0.41 113.55 114.09 3gk3 h SER 68 Ca 0.53 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.93 3gk3 h SER 68 Cb 1.04 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 3gk3 h SER 68 CO -0.61 0.76 0.24 0.00 -0.53 0.00 0.00 176.83 176.69 3gk3 h GLU 70 N 1.07 0.48 -0.19 0.00 4.81 0.74 0.16 114.58 121.65 3gk3 h GLU 70 Ca 0.24 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 3gk3 h GLU 70 Cb 0.29 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3gk3 h GLU 70 CO -0.01 0.32 -0.13 0.00 -0.73 0.00 0.00 179.01 178.46 3gk3 h ARG 71 N 0.50 0.42 -0.56 1.92 3.08 -0.75 -1.62 114.38 117.37 3gk3 h ARG 71 Ca 0.25 -0.20 0.06 0.00 0.07 0.00 0.00 59.98 60.16 3gk3 h ARG 71 Cb 0.19 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 3gk3 h ARG 71 CO -0.19 0.74 0.26 0.00 -1.07 0.00 0.00 179.97 179.72 3gk3 h ALA 73 N 1.33 0.30 -0.88 0.00 0.00 -0.44 -2.32 119.26 117.26 3gk3 h ALA 73 Ca 0.26 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.18 3gk3 h ALA 73 Cb 0.21 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.77 3gk3 h ALA 73 CO -0.21 -0.08 -0.31 0.39 0.00 0.00 0.00 179.25 179.05 3gk3 n GLU 74 N -4.77 -0.17 -0.08 0.00 1.02 -0.63 0.18 120.64 116.19 3gk3 n GLU 74 Ca -0.03 1.35 -0.13 0.00 -0.02 0.00 0.00 57.16 58.33 3gk3 n GLU 74 Cb 0.15 -2.01 -0.05 0.00 -0.02 0.00 0.00 31.44 29.50 3gk3 n GLU 74 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3gk3 h LYS 75 N 0.00 0.53 -0.31 3.49 1.57 -1.30 -1.59 116.57 118.96 3gk3 h LYS 75 Ca 0.34 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3gk3 h LYS 75 Cb 0.56 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 3gk3 h LYS 75 CO -0.88 0.82 0.12 0.28 -0.57 0.00 0.00 179.45 179.22 3gk3 h VAL 76 N 0.24 0.93 -0.12 0.50 2.07 -0.80 -0.89 116.25 118.18 3gk3 h VAL 76 Ca 0.05 -0.09 -0.14 0.00 0.82 0.00 0.00 66.70 67.34 3gk3 h VAL 76 Cb 0.69 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3gk3 h VAL 76 CO 0.04 0.05 -0.52 -0.07 0.02 0.00 0.00 177.57 177.09 3gk3 h LEU 77 N 0.26 0.35 -0.85 2.57 3.38 -0.19 -1.03 115.31 119.80 3gk3 h LEU 77 Ca 0.14 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3gk3 h LEU 77 Cb 0.10 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3gk3 h LEU 77 CO -0.13 0.81 0.10 0.00 0.09 0.00 0.00 178.44 179.31 3gk3 h ALA 78 N 1.20 1.06 0.11 1.53 0.00 -0.77 1.42 119.26 123.80 3gk3 h ALA 78 Ca 0.01 -0.25 -0.28 0.00 0.00 0.00 0.00 54.91 54.39 3gk3 h ALA 78 Cb 1.00 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.57 3gk3 h ALA 78 CO 0.09 0.61 -1.20 -0.44 0.00 0.00 0.00 179.25 178.30 3gk3 h ASP 79 N 0.91 0.68 0.00 0.00 5.19 -0.70 -3.37 116.42 119.13 3gk3 h ASP 79 Ca 0.19 -0.64 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 3gk3 h ASP 79 Cb 0.39 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3gk3 h ASP 79 CO 0.01 1.47 -1.09 0.49 -3.12 0.00 0.00 179.24 176.99 3gk3 n PHE 80 N -3.70 0.00 0.00 4.55 3.01 -0.43 -5.00 117.46 115.89 3gk3 n PHE 80 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 3gk3 n PHE 80 Cb 0.98 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 40.30 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 1.57 2.17 3.60 1.37 0.00 0.48 -4.88 105.19 109.50 3gk3 n GLY 81 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 1.39 -0.12 1.61 -2.85 -1.26 -4.94 119.74 113.57 3gk3 s LYS 82 Ca 0.00 -0.63 -0.01 0.00 -1.00 0.00 0.00 55.97 54.33 3gk3 s LYS 82 Cb 0.00 0.56 0.03 0.00 -2.06 0.00 0.00 37.83 36.36 3gk3 s LYS 82 CO 0.00 -0.62 -0.04 0.08 0.10 0.00 0.00 175.35 174.87 3gk3 s VAL 83 N -3.70 0.84 -0.12 1.79 1.01 -1.26 -4.78 120.40 114.18 3gk3 s VAL 83 Ca 0.06 -0.27 0.14 0.00 0.00 0.00 0.00 61.98 61.91 3gk3 s VAL 83 Cb -0.03 -0.96 -0.24 0.00 0.00 0.00 0.00 36.38 35.16 3gk3 s VAL 83 CO -0.05 0.25 0.38 0.47 0.00 0.00 0.00 175.10 176.15 3gk3 n ASP 84 N 4.99 0.59 -3.90 3.32 8.00 0.17 -4.58 116.55 125.13 3gk3 n ASP 84 Ca -0.11 0.22 -0.29 0.00 0.71 0.00 0.00 54.79 55.32 3gk3 n ASP 84 Cb 0.49 0.34 -0.16 0.00 -0.02 0.00 0.00 41.12 41.77 3gk3 n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gk3 s VAL 85 N -2.55 1.20 -0.24 2.53 1.01 -0.31 -1.82 120.40 120.21 3gk3 s VAL 85 Ca -0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3gk3 s VAL 85 Cb 0.07 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 3gk3 s VAL 85 CO 0.82 0.10 -0.01 -0.22 0.00 0.00 0.00 175.10 175.79 3gk3 s LEU 86 N 1.59 3.18 -0.52 3.92 2.96 0.10 -0.58 118.68 129.33 3gk3 s LEU 86 Ca -0.00 -0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 53.28 3gk3 s LEU 86 Cb -0.16 -1.77 0.13 0.00 0.50 0.00 0.00 46.19 44.89 3gk3 s LEU 86 CO -0.08 -0.07 0.44 -0.63 -1.32 0.00 0.00 176.35 174.69 3gk3 s ILE 87 N 1.47 4.70 -1.06 6.68 -1.09 -0.40 -1.28 121.20 130.22 3gk3 s ILE 87 Ca 0.04 -1.72 -0.23 0.00 -2.23 0.00 0.00 60.65 56.51 3gk3 s ILE 87 Cb -0.15 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 3gk3 s ILE 87 CO -0.02 -0.83 1.86 0.20 -1.23 0.00 0.00 174.94 174.92 3gk3 s ASN 88 N 3.01 5.44 -0.08 3.58 0.02 -0.81 -2.10 114.94 124.00 3gk3 s ASN 88 Ca 0.05 -1.33 0.12 0.00 -1.02 0.00 0.00 52.86 50.68 3gk3 s ASN 88 Cb -0.27 -2.57 -0.17 0.00 0.02 0.00 0.00 41.25 38.26 3gk3 s ASN 88 CO 0.00 -2.56 0.13 -3.20 0.02 0.00 0.00 177.10 171.49 3gk3 n ASN 89 N 12.93 2.02 -4.68 -1.22 5.15 -1.25 -1.42 115.26 126.80 3gk3 n ASN 89 Ca 0.42 0.00 -0.46 0.00 -0.60 0.00 0.00 54.58 53.94 3gk3 n ASN 89 Cb 0.47 1.07 -0.04 0.00 -0.53 0.00 0.00 39.78 40.75 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 -2.28 1.27 -3.91 5.20 0.00 -1.10 -4.79 120.51 114.90 3gk3 n ALA 90 Ca -0.14 0.36 -0.02 0.00 0.00 0.00 0.00 53.44 53.64 3gk3 n ALA 90 Cb 0.70 -2.44 0.02 0.00 0.00 0.00 0.00 19.45 17.73 3gk3 n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gk3 s GLY 91 N 2.44 0.10 0.11 0.00 0.00 -1.26 -4.79 107.32 103.91 3gk3 s GLY 91 Ca 0.85 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 45.27 3gk3 s GLY 91 CO 0.43 3.01 -0.05 -0.26 0.00 0.00 0.00 173.10 176.23 3gk3 s ILE 92 N -2.10 0.64 0.10 0.90 -4.36 -1.26 -5.06 121.20 110.05 3gk3 s ILE 92 Ca 0.23 -1.93 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 3gk3 s ILE 92 Cb -0.02 -1.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 3gk3 s ILE 92 CO 0.05 -0.81 -0.06 0.42 0.24 0.00 0.00 174.94 174.78 3gk3 s THR 93 N -3.66 3.63 -0.39 8.37 -4.23 -1.26 -4.88 115.64 113.21 3gk3 s THR 93 Ca 0.14 -1.16 0.09 0.00 -1.18 0.00 0.00 61.69 59.58 3gk3 s THR 93 Cb 0.06 -2.71 0.27 0.00 1.34 0.00 0.00 72.50 71.46 3gk3 s THR 93 CO -0.04 0.12 0.57 -1.14 -0.54 0.00 0.00 174.62 173.60 3gk3 n ARG 94 N 0.65 0.76 -2.34 3.99 3.00 -1.26 -5.03 116.66 116.43 3gk3 n ARG 94 Ca -0.12 -3.18 -0.41 0.00 -0.00 0.00 0.00 57.85 54.13 3gk3 n ARG 94 Cb 0.52 -1.30 -0.03 0.00 0.00 0.00 0.00 32.46 31.64 3gk3 n ARG 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3gk3 s ASP 95 N -1.42 7.05 -0.10 6.15 1.01 -1.26 -4.86 116.67 123.24 3gk3 s ASP 95 Ca 0.36 2.32 -0.24 0.00 0.71 0.00 0.00 52.55 55.69 3gk3 s ASP 95 Cb 0.20 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.58 3gk3 s ASP 95 CO -0.11 -0.38 0.57 0.00 0.21 0.00 0.00 175.17 175.47 3gk3 s ALA 96 N -0.32 -1.46 0.77 5.23 0.00 -0.21 -5.04 121.76 120.73 3gk3 s ALA 96 Ca 0.52 1.23 -0.14 0.00 0.00 0.00 0.00 51.96 53.57 3gk3 s ALA 96 Cb -0.34 -0.31 0.06 0.00 0.00 0.00 0.00 23.12 22.54 3gk3 s ALA 96 CO 0.39 -0.32 1.18 0.95 0.00 0.00 0.00 175.76 177.97 3gk3 s THR 97 N -0.73 2.33 0.47 0.00 -4.23 -1.26 -3.98 115.64 108.25 3gk3 s THR 97 Ca -0.08 0.15 0.14 0.00 -1.18 0.00 0.00 61.69 60.71 3gk3 s THR 97 Cb -0.02 -2.59 0.24 0.00 1.34 0.00 0.00 72.50 71.46 3gk3 s THR 97 CO 0.06 -0.10 2.07 0.15 -0.54 0.00 0.00 174.62 176.26 3gk3 h PHE 98 N -0.71 0.11 0.00 3.99 3.57 -1.95 0.33 116.94 122.28 3gk3 h PHE 98 Ca -0.46 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 60.85 3gk3 h PHE 98 Cb 1.28 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 3gk3 h PHE 98 CO 0.49 0.13 -0.87 1.98 -2.23 0.00 0.00 178.31 177.81 3gk3 h MET 99 N 0.11 0.00 0.00 1.11 4.05 -2.03 -3.19 114.93 114.99 3gk3 h MET 99 Ca 0.03 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.28 3gk3 h MET 99 Cb 0.11 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 3gk3 h MET 99 CO 0.00 0.87 -1.10 0.87 0.23 0.00 0.00 176.91 177.79 3gk3 h LYS 100 N 0.00 0.00 -6.33 0.39 1.57 -1.65 -3.48 116.57 107.08 3gk3 h LYS 100 Ca -0.01 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 3gk3 h LYS 100 Cb 1.66 0.00 0.06 0.00 0.08 0.00 0.00 32.23 34.03 3gk3 h LYS 100 CO 0.11 0.49 0.49 -0.12 -0.57 0.00 0.00 179.45 179.85 3gk3 n MET 101 N -3.08 1.35 -3.17 3.15 1.56 0.11 -4.94 117.12 112.09 3gk3 n MET 101 Ca -0.05 0.49 -0.29 0.00 -0.27 0.00 0.00 57.70 57.57 3gk3 n MET 101 Cb 0.85 -2.13 -0.03 0.00 2.15 0.00 0.00 33.22 34.05 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 0.45 4.93 0.61 1.12 -4.23 -1.26 -4.97 115.64 112.29 3gk3 s THR 102 Ca 0.81 0.29 0.31 0.00 -1.18 0.00 0.00 61.69 61.93 3gk3 s THR 102 Cb -0.88 -3.72 0.36 0.00 1.34 0.00 0.00 72.50 69.60 3gk3 s THR 102 CO 0.46 -0.37 2.10 0.07 -0.54 0.00 0.00 174.62 176.34 3gk3 h LYS 103 N 1.60 0.00 -0.20 3.99 -0.00 -1.99 -1.30 116.57 118.66 3gk3 h LYS 103 Ca -0.47 0.00 -0.20 0.00 -0.00 0.00 0.00 60.65 59.98 3gk3 h LYS 103 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 3gk3 h LYS 103 CO 0.65 0.00 -0.66 0.78 -0.00 0.00 0.00 179.45 180.22 3gk3 h GLY 104 N 0.00 0.84 1.20 0.07 0.00 -2.00 -1.71 103.07 101.47 3gk3 h GLY 104 Ca 0.07 -1.08 0.01 0.00 0.00 0.00 0.00 47.33 46.33 3gk3 h GLY 104 CO -0.00 0.97 0.53 -0.55 0.00 0.00 0.00 176.54 177.49 3gk3 h ASP 105 N 0.55 0.91 0.44 0.19 3.32 -1.62 -2.27 116.42 117.95 3gk3 h ASP 105 Ca -0.02 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3gk3 h ASP 105 Cb 1.27 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3gk3 h ASP 105 CO 0.14 0.65 -0.21 -0.25 -1.72 0.00 0.00 179.24 177.85 3gk3 h TRP 106 N 1.07 -0.55 -0.79 4.55 2.91 -1.10 -3.07 115.95 118.97 3gk3 h TRP 106 Ca 0.30 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.36 3gk3 h TRP 106 Cb -0.10 0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 28.67 3gk3 h TRP 106 CO -0.00 -0.31 0.48 -0.44 -1.03 0.00 0.00 178.44 177.14 3gk3 h ASP 107 N -1.13 0.75 -1.01 2.65 3.32 -1.37 -0.11 116.42 119.54 3gk3 h ASP 107 Ca -0.06 0.02 0.14 0.00 0.02 0.00 0.00 57.03 57.14 3gk3 h ASP 107 Cb 0.49 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.81 3gk3 h ASP 107 CO 0.10 0.49 0.63 0.00 -1.72 0.00 0.00 179.24 178.74 3gk3 h ALA 108 N 1.38 1.56 0.17 3.45 0.00 -1.48 0.03 119.26 124.36 3gk3 h ALA 108 Ca 0.34 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 55.02 3gk3 h ALA 108 Cb 0.15 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.78 3gk3 h ALA 108 CO -0.16 0.16 -1.29 0.28 0.00 0.00 0.00 179.25 178.23 3gk3 h VAL 109 N 0.94 1.22 0.76 0.00 2.07 -1.33 -2.98 116.25 116.93 3gk3 h VAL 109 Ca 0.52 -2.52 -0.04 0.00 0.82 0.00 0.00 66.70 65.48 3gk3 h VAL 109 Cb 0.59 2.95 0.01 0.00 -1.52 0.00 0.00 31.29 33.32 3gk3 h VAL 109 CO -0.29 0.75 -0.36 0.24 0.02 0.00 0.00 177.57 177.93 3gk3 h MET 110 N -0.17 -0.98 -0.90 1.57 2.07 -0.66 0.78 114.93 116.65 3gk3 h MET 110 Ca -0.25 0.07 0.16 0.00 -2.07 0.00 0.00 59.70 57.61 3gk3 h MET 110 Cb 1.86 0.22 -0.07 0.00 -1.87 0.00 0.00 31.60 31.75 3gk3 h MET 110 CO 0.15 -0.65 0.58 0.00 1.07 0.00 0.00 176.91 178.06 3gk3 h ARG 111 N -1.27 0.58 0.00 1.72 2.47 -1.19 -0.55 114.38 116.14 3gk3 h ARG 111 Ca -0.10 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 3gk3 h ARG 111 Cb 0.78 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 3gk3 h ARG 111 CO 0.17 0.39 -0.05 1.15 0.56 0.00 0.00 179.97 182.18 3gk3 h THR 112 N 0.60 0.00 -0.55 2.04 2.02 -1.52 -3.26 112.91 112.25 3gk3 h THR 112 Ca 0.46 -0.49 -0.12 0.00 0.77 0.00 0.00 66.41 67.04 3gk3 h THR 112 Cb 0.87 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3gk3 h THR 112 CO -0.21 0.00 -0.11 0.44 0.37 0.00 0.00 175.52 176.01 3gk3 h ASP 113 N -0.49 1.05 0.09 4.18 3.32 -0.84 -2.39 116.42 121.34 3gk3 h ASP 113 Ca 0.00 -0.35 -0.37 0.00 0.02 0.00 0.00 57.03 56.33 3gk3 h ASP 113 Cb 0.05 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 3gk3 h ASP 113 CO 0.00 1.15 -2.22 -0.11 -1.72 0.00 0.00 179.24 176.35 3gk3 n LEU 114 N -4.14 2.37 0.20 1.55 7.94 -0.30 -4.25 117.00 120.36 3gk3 n LEU 114 Ca 0.01 0.06 0.06 0.00 -1.11 0.00 0.00 56.01 55.03 3gk3 n LEU 114 Cb 0.41 -0.76 0.39 0.00 0.53 0.00 0.00 43.42 43.99 3gk3 n LEU 114 CO 0.46 0.82 0.72 0.44 -1.11 0.00 0.00 177.39 178.71 3gk3 h ASP 115 N 0.03 0.00 -0.85 1.96 3.32 -1.37 -0.21 116.42 119.30 3gk3 h ASP 115 Ca -0.49 0.00 0.25 0.00 0.02 0.00 0.00 57.03 56.80 3gk3 h ASP 115 Cb 2.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.51 3gk3 h ASP 115 CO 0.01 0.35 0.84 0.00 -1.72 0.00 0.00 179.24 178.72 3gk3 h ALA 116 N 1.65 2.68 -0.55 3.45 0.00 -1.52 0.11 119.26 125.08 3gk3 h ALA 116 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3gk3 h ALA 116 Cb 0.78 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3gk3 h ALA 116 CO 0.05 -1.27 0.24 0.52 0.00 0.00 0.00 179.25 178.78 3gk3 h MET 117 N 0.00 0.80 0.03 0.00 2.86 -1.26 -2.28 114.93 115.08 3gk3 h MET 117 Ca 0.40 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3gk3 h MET 117 Cb 2.07 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.59 3gk3 h MET 117 CO -0.00 0.68 -0.02 0.35 1.06 0.00 0.00 176.91 178.98 3gk3 h PHE 118 N 0.74 -0.04 -0.49 -0.22 3.57 -1.23 -3.16 116.94 116.12 3gk3 h PHE 118 Ca 0.19 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3gk3 h PHE 118 Cb 0.16 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3gk3 h PHE 118 CO 0.00 0.61 0.24 -0.91 -2.23 0.00 0.00 178.31 176.03 3gk3 h ASN 119 N -0.76 0.60 0.00 0.41 2.35 -1.07 -1.65 115.58 115.46 3gk3 h ASN 119 Ca -0.00 -0.05 -0.36 0.00 -0.55 0.00 0.00 56.30 55.34 3gk3 h ASN 119 Cb 0.67 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.84 3gk3 h ASN 119 CO 0.01 0.50 -2.01 0.52 -1.65 0.00 0.00 177.43 174.80 3gk3 n VAL 120 N -4.40 1.53 0.25 2.81 0.31 -0.86 -4.26 118.33 113.71 3gk3 n VAL 120 Ca 0.04 -0.23 0.08 0.00 -0.01 0.00 0.00 64.34 64.21 3gk3 n VAL 120 Cb 0.11 -1.96 0.61 0.00 -0.91 0.00 0.00 33.84 31.69 3gk3 n VAL 120 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3gk3 h THR 121 N -1.00 1.01 -0.69 2.52 2.02 -1.61 -1.23 112.91 113.93 3gk3 h THR 121 Ca -0.55 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 66.43 3gk3 h THR 121 Cb 1.47 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.98 3gk3 h THR 121 CO -0.33 0.07 0.45 0.11 0.37 0.00 0.00 175.52 176.19 3gk3 h LYS 122 N 0.00 0.75 0.00 6.66 1.79 -1.48 -2.12 116.57 122.17 3gk3 h LYS 122 Ca -0.00 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 3gk3 h LYS 122 Cb 0.13 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 3gk3 h LYS 122 CO 0.01 0.50 -0.24 1.96 -1.08 0.00 0.00 179.45 180.59 3gk3 h GLN 123 N 0.77 0.00 -0.00 3.15 1.08 -1.40 -3.29 115.11 115.42 3gk3 h GLN 123 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 3gk3 h GLN 123 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3gk3 h GLN 123 CO -0.09 0.24 -0.16 1.19 -0.95 0.00 0.00 178.83 179.07 3gk3 n PHE 124 N -3.79 0.00 0.07 2.96 3.72 -0.98 -4.73 117.46 114.71 3gk3 n PHE 124 Ca -0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 3gk3 n PHE 124 Cb 0.34 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.00 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 0.48 1.36 -0.46 4.37 6.09 -1.47 -3.03 117.51 124.86 3gk3 h ILE 125 Ca 0.00 -1.87 -0.10 0.00 -1.37 0.00 0.00 64.86 61.52 3gk3 h ILE 125 Cb 0.18 1.91 -0.01 0.00 0.47 0.00 0.00 36.82 39.36 3gk3 h ILE 125 CO 0.00 0.56 -0.10 0.00 -3.07 0.00 0.00 178.15 175.54 3gk3 h ALA 126 N 1.17 0.63 -0.10 0.18 0.00 -1.85 -2.16 119.26 117.14 3gk3 h ALA 126 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.62 3gk3 h ALA 126 Cb 1.06 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 3gk3 h ALA 126 CO 0.09 0.52 -0.17 0.78 0.00 0.00 0.00 179.25 180.47 3gk3 h GLY 127 N 0.72 -0.15 0.56 0.00 0.00 -1.86 0.12 103.07 102.46 3gk3 h GLY 127 Ca 0.12 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.70 3gk3 h GLY 127 CO 0.04 -0.16 -0.04 -0.33 0.00 0.00 0.00 176.54 176.05 3gk3 h MET 128 N -0.23 0.02 -0.53 4.80 2.07 -1.40 -0.05 114.93 119.61 3gk3 h MET 128 Ca 0.09 -0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.71 3gk3 h MET 128 Cb 0.36 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.06 3gk3 h MET 128 CO -0.23 0.02 0.31 0.28 1.07 0.00 0.00 176.91 178.35 3gk3 h VAL 129 N 0.03 1.16 0.13 -2.22 2.07 -1.13 -0.52 116.25 115.77 3gk3 h VAL 129 Ca 0.11 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.28 3gk3 h VAL 129 Cb 0.17 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3gk3 h VAL 129 CO -0.23 0.17 -0.31 -0.33 0.02 0.00 0.00 177.57 176.88 3gk3 h GLU 130 N 0.70 -0.53 -0.04 1.57 3.07 -0.20 -1.93 114.58 117.22 3gk3 h GLU 130 Ca 0.19 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 3gk3 h GLU 130 Cb -0.00 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3gk3 h GLU 130 CO -0.03 -0.35 0.00 0.54 -1.40 0.00 0.00 179.01 177.76 3gk3 n ARG 131 N -5.42 1.11 -4.05 2.33 1.74 -0.08 -4.88 116.66 107.41 3gk3 n ARG 131 Ca -0.07 -0.17 -0.32 0.00 -0.77 0.00 0.00 57.85 56.52 3gk3 n ARG 131 Cb 0.33 -1.12 -0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3gk3 n ARG 131 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gk3 n ARG 132 N -0.45 -4.15 -3.64 5.56 5.12 -0.54 -4.98 116.66 113.59 3gk3 n ARG 132 Ca 0.06 0.47 -0.07 0.00 -1.93 0.00 0.00 57.85 56.37 3gk3 n ARG 132 Cb 0.06 -5.18 -0.07 0.00 -1.16 0.00 0.00 32.46 26.11 3gk3 n ARG 132 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3gk3 s PHE 133 N -3.39 -1.03 -0.03 -1.55 5.36 -0.32 -4.32 117.98 112.70 3gk3 s PHE 133 Ca 0.59 2.09 -0.30 0.00 -0.96 0.00 0.00 56.93 58.36 3gk3 s PHE 133 Cb -0.31 0.60 0.11 0.00 -0.34 0.00 0.00 43.02 43.08 3gk3 s PHE 133 CO 0.88 -0.51 0.98 0.20 -1.46 0.00 0.00 175.22 175.31 3gk3 s GLY 134 N 1.53 -0.40 -0.22 13.12 0.00 -0.95 -4.50 107.32 115.90 3gk3 s GLY 134 Ca -0.09 1.03 -0.02 0.00 0.00 0.00 0.00 44.72 45.64 3gk3 s GLY 134 CO -0.18 0.33 0.04 0.50 0.00 0.00 0.00 173.10 173.79 3gk3 s ARG 135 N -2.96 0.75 -0.24 2.90 1.81 -0.76 -1.31 118.95 119.15 3gk3 s ARG 135 Ca 0.07 -0.61 -0.04 0.00 -1.72 0.00 0.00 55.73 53.44 3gk3 s ARG 135 Cb -0.01 -2.11 0.00 0.00 -0.45 0.00 0.00 34.95 32.38 3gk3 s ARG 135 CO -0.07 -0.71 -0.03 0.42 -0.68 0.00 0.00 175.30 174.23 3gk3 s ILE 136 N 1.77 3.36 -0.30 1.52 1.01 -0.45 -0.72 121.20 127.40 3gk3 s ILE 136 Ca 0.01 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 3gk3 s ILE 136 Cb -0.17 -2.60 0.06 0.00 0.01 0.00 0.00 42.46 39.76 3gk3 s ILE 136 CO -0.12 0.32 -0.01 -0.69 0.00 0.00 0.00 174.94 174.44 3gk3 s VAL 137 N 1.45 2.85 -0.22 2.92 1.01 -0.40 -1.36 120.40 126.65 3gk3 s VAL 137 Ca 0.04 -1.48 -0.21 0.00 0.00 0.00 0.00 61.98 60.34 3gk3 s VAL 137 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3gk3 s VAL 137 CO -0.03 -0.13 0.63 0.20 0.00 0.00 0.00 175.10 175.77 3gk3 s ASN 138 N 1.25 6.64 -0.39 3.32 0.02 0.06 -1.93 114.94 123.91 3gk3 s ASN 138 Ca -0.05 0.79 -0.29 0.00 -1.02 0.00 0.00 52.86 52.29 3gk3 s ASN 138 Cb -0.20 -2.34 0.01 0.00 0.02 0.00 0.00 41.25 38.74 3gk3 s ASN 138 CO -0.02 -0.30 1.32 -0.63 0.02 0.00 0.00 177.10 177.48 3gk3 s ILE 139 N 2.11 4.04 0.00 0.60 -1.09 -0.50 -1.57 121.20 124.79 3gk3 s ILE 139 Ca 0.28 1.10 0.00 0.00 -2.23 0.00 0.00 60.65 59.80 3gk3 s ILE 139 Cb -0.16 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.44 3gk3 s ILE 139 CO 0.10 -0.73 0.00 0.61 -1.23 0.00 0.00 174.94 173.69 3gk3 n GLY 140 N 4.80 1.17 3.63 6.18 0.00 0.70 -4.93 105.19 116.74 3gk3 n GLY 140 Ca 0.15 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.49 0.48 1.61 0.15 -1.26 -4.52 113.70 108.66 3gk3 s SER 141 Ca 0.00 0.93 0.37 0.00 0.70 0.00 0.00 55.95 57.95 3gk3 s SER 141 Cb 0.00 0.94 1.54 0.00 -1.71 0.00 0.00 66.02 66.79 3gk3 s SER 141 CO 0.00 -0.18 1.60 1.62 1.20 0.00 0.00 173.24 177.48 3gk3 h VAL 142 N 3.60 0.06 0.00 4.45 3.04 -1.18 -0.29 116.25 125.93 3gk3 h VAL 142 Ca -0.28 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 3gk3 h VAL 142 Cb 1.17 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 3gk3 h VAL 142 CO 0.11 0.01 0.00 0.78 -1.01 0.00 0.00 177.57 177.46 3gk3 h ASN 143 N 0.03 0.00 1.48 3.17 2.35 -1.91 0.64 115.58 121.34 3gk3 h ASN 143 Ca 0.87 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.55 3gk3 h ASN 143 Cb 3.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 41.36 3gk3 h ASN 143 CO -0.31 0.00 -0.34 1.23 -1.65 0.00 0.00 177.43 176.35 3gk3 h GLY 144 N 3.13 0.00 0.03 2.83 0.00 -1.29 -1.56 103.07 106.21 3gk3 h GLY 144 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gk3 h GLY 144 CO 0.00 0.00 -0.00 1.76 0.00 0.00 0.00 176.54 178.30 3gk3 h SER 145 N 0.00 -0.01 0.10 0.19 0.02 -0.76 -3.40 113.55 109.70 3gk3 h SER 145 Ca -0.00 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 3gk3 h SER 145 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3gk3 h SER 145 CO 0.04 0.86 -0.72 -2.11 -1.14 0.00 0.00 176.83 173.76 3gk3 n ARG 146 N -4.66 0.37 -0.21 3.45 1.85 -0.39 -5.07 116.66 111.99 3gk3 n ARG 146 Ca -0.08 -0.29 0.00 0.00 -1.00 0.00 0.00 57.85 56.49 3gk3 n ARG 146 Cb 0.37 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.29 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 1.47 -3.13 3.04 2.89 0.00 -0.59 -5.03 105.19 103.84 3gk3 n GLY 147 Ca 0.06 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.84 0.66 0.06 4.61 0.00 -1.25 -4.92 121.76 118.08 3gk3 s ALA 148 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 3gk3 s ALA 148 Cb 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 3gk3 s ALA 148 CO 0.00 0.10 1.82 0.12 0.00 0.00 0.00 175.76 177.79 3gk3 s PHE 149 N -0.69 1.90 0.00 0.00 5.36 -1.26 -1.96 117.98 121.34 3gk3 s PHE 149 Ca -0.02 -0.07 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 3gk3 s PHE 149 Cb -0.06 -4.13 0.00 0.00 -0.34 0.00 0.00 43.02 38.49 3gk3 s PHE 149 CO 0.00 -4.78 0.00 0.41 -1.46 0.00 0.00 175.22 169.39 3gk3 n GLY 150 N 4.27 0.56 2.58 13.12 0.00 -1.26 -4.95 105.19 119.51 3gk3 n GLY 150 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 2.27 -0.19 1.61 6.02 -0.83 -1.04 117.38 123.23 3gk3 n GLN 151 Ca 0.00 -3.71 0.30 0.00 -0.01 0.00 0.00 57.00 53.58 3gk3 n GLN 151 Cb 0.00 -1.79 0.71 0.00 1.02 0.00 0.00 30.24 30.18 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 2.52 2.82 0.01 -1.58 0.00 -1.80 0.33 119.26 121.55 3gk3 h ALA 152 Ca 0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3gk3 h ALA 152 Cb 1.32 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3gk3 h ALA 152 CO 0.39 -1.26 -0.53 -2.95 0.00 0.00 0.00 179.25 174.91 3gk3 h ASN 153 N 0.00 0.03 -0.10 0.00 -1.07 -1.91 -2.72 115.58 109.80 3gk3 h ASN 153 Ca 0.45 -0.82 -0.10 0.00 0.07 0.00 0.00 56.30 55.90 3gk3 h ASN 153 Cb 1.99 -0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 38.21 3gk3 h ASN 153 CO -0.00 1.21 -0.26 0.22 0.07 0.00 0.00 177.43 178.67 3gk3 h TYR 154 N -0.95 0.61 -0.34 4.14 3.20 -1.77 -2.09 116.97 119.77 3gk3 h TYR 154 Ca -0.14 -0.13 -0.13 0.00 3.14 0.00 0.00 58.73 61.47 3gk3 h TYR 154 Cb 1.16 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 3gk3 h TYR 154 CO 0.21 0.75 -0.29 0.00 -1.64 0.00 0.00 178.16 177.19 3gk3 h ALA 155 N 1.25 0.50 0.00 1.82 0.00 -1.11 -1.49 119.26 120.22 3gk3 h ALA 155 Ca 0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3gk3 h ALA 155 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3gk3 h ALA 155 CO 0.05 0.52 -0.17 0.77 0.00 0.00 0.00 179.25 180.42 3gk3 h SER 156 N 0.58 0.00 0.02 0.00 0.02 -1.13 -2.14 113.55 110.91 3gk3 h SER 156 Ca 0.06 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3gk3 h SER 156 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3gk3 h SER 156 CO 0.07 0.17 -0.24 0.00 -1.14 0.00 0.00 176.83 175.70 3gk3 h ALA 157 N 1.83 0.01 -0.65 3.77 0.00 -1.21 -2.21 119.26 120.80 3gk3 h ALA 157 Ca -0.00 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.37 3gk3 h ALA 157 Cb 0.34 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3gk3 h ALA 157 CO 0.02 0.12 0.43 0.87 0.00 0.00 0.00 179.25 180.69 3gk3 h LYS 158 N -0.90 0.65 -0.20 0.00 1.79 -1.27 0.01 116.57 116.65 3gk3 h LYS 158 Ca -0.05 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 58.19 3gk3 h LYS 158 Cb 1.13 -0.15 0.01 0.00 -1.58 0.00 0.00 32.23 31.64 3gk3 h LYS 158 CO 0.01 0.43 -0.61 0.00 -1.08 0.00 0.00 179.45 178.20 3gk3 h ALA 159 N 1.64 0.35 -0.32 3.86 0.00 -1.47 -2.91 119.26 120.41 3gk3 h ALA 159 Ca 0.28 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3gk3 h ALA 159 Cb 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3gk3 h ALA 159 CO -0.09 0.60 0.21 0.78 0.00 0.00 0.00 179.25 180.76 3gk3 h GLY 160 N 0.50 0.42 1.55 0.00 0.00 -0.76 -1.22 103.07 103.56 3gk3 h GLY 160 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3gk3 h GLY 160 CO 0.13 0.15 0.30 -2.22 0.00 0.00 0.00 176.54 174.90 3gk3 h ILE 161 N 0.40 1.12 -0.16 2.60 2.04 -0.81 -1.21 117.51 121.48 3gk3 h ILE 161 Ca 0.12 -0.22 -0.18 0.00 1.00 0.00 0.00 64.86 65.58 3gk3 h ILE 161 Cb -0.00 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3gk3 h ILE 161 CO -0.03 0.12 -0.64 -0.74 0.00 0.00 0.00 178.15 176.86 3gk3 h HIS 162 N 0.62 0.77 -0.68 1.37 2.76 -1.17 -0.71 115.15 118.11 3gk3 h HIS 162 Ca 0.17 -0.30 -0.03 0.00 -2.20 0.00 0.00 60.37 58.00 3gk3 h HIS 162 Cb -0.07 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 3gk3 h HIS 162 CO 0.00 1.07 0.31 0.78 -1.30 0.00 0.00 177.93 178.79 3gk3 h GLY 163 N 0.99 1.05 0.79 5.26 0.00 -1.16 -1.01 103.07 108.98 3gk3 h GLY 163 Ca -0.01 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 3gk3 h GLY 163 CO 0.12 0.49 0.01 -2.75 0.00 0.00 0.00 176.54 174.41 3gk3 h PHE 164 N 0.97 0.06 -0.71 5.60 3.57 -1.24 -2.46 116.94 122.73 3gk3 h PHE 164 Ca 0.23 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.85 3gk3 h PHE 164 Cb 0.13 -0.02 -0.13 0.00 2.79 0.00 0.00 35.95 38.72 3gk3 h PHE 164 CO 0.01 0.26 -0.31 1.15 -2.23 0.00 0.00 178.31 177.20 3gk3 h THR 165 N -0.16 0.15 -0.23 4.41 2.02 -0.74 -1.28 112.91 117.08 3gk3 h THR 165 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 3gk3 h THR 165 Cb 0.23 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3gk3 h THR 165 CO 0.00 0.00 0.11 0.11 0.37 0.00 0.00 175.52 176.11 3gk3 h LYS 166 N -0.09 0.34 -0.75 6.66 1.57 -1.16 -1.10 116.57 122.03 3gk3 h LYS 166 Ca 0.29 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 3gk3 h LYS 166 Cb 0.56 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 3gk3 h LYS 166 CO -0.77 0.35 0.25 1.15 -0.57 0.00 0.00 179.45 179.86 3gk3 h THR 167 N 0.24 1.26 -0.15 -0.16 2.02 -1.24 -2.30 112.91 112.58 3gk3 h THR 167 Ca 0.08 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 3gk3 h THR 167 Cb 0.13 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3gk3 h THR 167 CO -0.01 0.35 -0.07 0.25 0.37 0.00 0.00 175.52 176.41 3gk3 h LEU 168 N 1.10 0.32 -0.71 2.58 5.85 -1.15 -1.72 115.31 121.59 3gk3 h LEU 168 Ca 0.24 -0.41 0.15 0.00 0.84 0.00 0.00 57.88 58.70 3gk3 h LEU 168 Cb 0.28 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.12 3gk3 h LEU 168 CO -0.01 0.66 0.18 0.00 -0.34 0.00 0.00 178.44 178.93 3gk3 h ALA 169 N 0.67 0.91 -0.84 1.25 0.00 -1.18 0.16 119.26 120.23 3gk3 h ALA 169 Ca 0.03 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3gk3 h ALA 169 Cb 0.53 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3gk3 h ALA 169 CO 0.02 -0.31 0.52 -0.07 0.00 0.00 0.00 179.25 179.41 3gk3 h LEU 170 N 0.29 1.00 -0.53 0.00 3.38 -1.31 0.09 115.31 118.24 3gk3 h LEU 170 Ca 0.39 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 58.14 3gk3 h LEU 170 Cb 0.64 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3gk3 h LEU 170 CO -0.47 0.76 -0.67 -0.33 0.09 0.00 0.00 178.44 177.82 3gk3 h GLU 171 N 1.15 0.30 -0.01 1.13 5.08 0.01 -3.33 114.58 118.92 3gk3 h GLU 171 Ca 0.30 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3gk3 h GLU 171 Cb -0.07 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3gk3 h GLU 171 CO -0.06 0.86 -0.48 0.25 -1.00 0.00 0.00 179.01 178.58 3gk3 n THR 172 N -3.84 0.00 -0.24 1.13 -2.24 0.35 -4.63 114.28 104.81 3gk3 n THR 172 Ca -0.03 -0.26 0.04 0.00 -2.27 0.00 0.00 64.05 61.53 3gk3 n THR 172 Cb 0.66 1.12 0.15 0.00 -2.10 0.00 0.00 70.33 70.17 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 2.61 0.81 0.00 6.98 0.00 -1.08 0.76 119.26 129.33 3gk3 h ALA 173 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gk3 h ALA 173 Cb 0.49 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3gk3 h ALA 173 CO 0.00 -0.38 0.00 1.17 0.00 0.00 0.00 179.25 180.04 3gk3 n LYS 174 N -5.24 1.00 -0.42 0.00 4.81 -1.26 -3.17 118.16 113.87 3gk3 n LYS 174 Ca 0.12 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.64 3gk3 n LYS 174 Cb 0.43 -1.22 0.15 0.00 0.02 0.00 0.00 35.03 34.42 3gk3 n LYS 174 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3gk3 n ARG 175 N -0.72 1.24 -1.01 1.64 1.74 0.26 -4.98 116.66 114.83 3gk3 n ARG 175 Ca 0.10 -2.75 -0.00 0.00 -0.77 0.00 0.00 57.85 54.43 3gk3 n ARG 175 Cb 0.05 -1.39 -0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3gk3 n ARG 175 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gk3 n GLY 176 N -1.08 0.47 3.46 -0.13 0.00 -1.19 -3.40 105.19 103.33 3gk3 n GLY 176 Ca 0.16 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.94 3.48 -0.01 -0.61 1.01 -1.21 -2.23 121.20 119.69 3gk3 s ILE 177 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.16 3gk3 s ILE 177 Cb 0.00 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 3gk3 s ILE 177 CO 0.00 0.53 -0.09 0.42 0.00 0.00 0.00 174.94 175.80 3gk3 s THR 178 N 0.06 3.50 -0.14 2.92 -4.23 -0.42 -4.04 115.64 113.29 3gk3 s THR 178 Ca -0.03 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 3gk3 s THR 178 Cb -0.14 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.23 3gk3 s THR 178 CO 0.04 0.44 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.71 3gk3 s VAL 179 N -0.94 1.62 0.09 2.29 1.01 -1.26 -1.34 120.40 121.88 3gk3 s VAL 179 Ca 0.16 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3gk3 s VAL 179 Cb -0.11 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3gk3 s VAL 179 CO 0.06 0.47 -0.08 0.20 0.00 0.00 0.00 175.10 175.74 3gk3 s ASN 180 N 1.32 1.23 -0.21 3.32 0.01 -0.47 -1.06 114.94 119.09 3gk3 s ASN 180 Ca 0.02 -0.88 -0.09 0.00 -0.71 0.00 0.00 52.86 51.19 3gk3 s ASN 180 Cb -0.13 0.05 -0.05 0.00 0.41 0.00 0.00 41.25 41.54 3gk3 s ASN 180 CO -0.08 -0.36 0.11 -0.89 -1.51 0.00 0.00 177.10 174.37 3gk3 s THR 181 N -2.93 5.10 -0.23 1.60 2.01 -0.33 -0.76 115.64 120.10 3gk3 s THR 181 Ca 0.07 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.07 3gk3 s THR 181 Cb 0.00 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 3gk3 s THR 181 CO -0.02 0.41 0.09 -0.69 -0.69 0.00 0.00 174.62 173.72 3gk3 s VAL 182 N 0.64 4.73 -0.71 3.82 1.01 -0.61 0.14 120.40 129.43 3gk3 s VAL 182 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3gk3 s VAL 182 Cb -0.12 -3.19 0.17 0.00 0.00 0.00 0.00 36.38 33.24 3gk3 s VAL 182 CO 0.01 0.37 0.52 -0.44 0.00 0.00 0.00 175.10 175.56 3gk3 s SER 183 N 1.12 5.07 0.64 3.32 0.01 0.15 -0.21 113.70 123.80 3gk3 s SER 183 Ca 0.05 -3.58 -0.15 0.00 1.31 0.00 0.00 55.95 53.58 3gk3 s SER 183 Cb -0.14 -1.73 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 3gk3 s SER 183 CO 0.04 -0.16 1.10 -2.16 0.41 0.00 0.00 173.24 172.46 3gk3 s PRO 184 N -1.09 2.93 0.00 12.44 0.04 -1.26 -2.38 135.00 145.68 3gk3 s PRO 184 Ca 0.23 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.62 3gk3 s PRO 184 Cb -0.11 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3gk3 s PRO 184 CO -0.11 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.19 3gk3 n GLY 185 N -0.63 1.24 3.75 0.56 0.00 -0.81 -0.96 105.19 108.34 3gk3 n GLY 185 Ca 0.10 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 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 1.17 3.72 0.02 1.61 2.02 -1.26 -4.88 117.35 119.75 3gk3 s TYR 186 Ca 0.00 1.74 0.06 0.00 -0.37 0.00 0.00 57.07 58.50 3gk3 s TYR 186 Cb 0.00 -3.18 -0.02 0.00 -0.40 0.00 0.00 41.96 38.36 3gk3 s TYR 186 CO 0.00 -0.22 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.07 3gk3 s LEU 187 N -0.91 2.12 -1.08 -1.29 1.43 -1.26 -1.24 118.68 116.45 3gk3 s LEU 187 Ca 0.45 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 3gk3 s LEU 187 Cb -0.29 -0.88 -0.07 0.00 0.03 0.00 0.00 46.19 44.98 3gk3 s LEU 187 CO 0.36 0.16 2.20 0.00 0.23 0.00 0.00 176.35 179.29 3gk3 n ALA 188 N 2.15 4.83 -1.97 4.21 0.00 0.41 -4.75 120.51 125.38 3gk3 n ALA 188 Ca -0.16 -3.04 -0.22 0.00 0.00 0.00 0.00 53.44 50.02 3gk3 n ALA 188 Cb 0.54 -3.38 0.05 0.00 0.00 0.00 0.00 19.45 16.66 3gk3 n ALA 188 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gk3 s THR 189 N 3.72 2.57 0.17 0.00 -4.23 -1.26 -4.72 115.64 111.90 3gk3 s THR 189 Ca 0.52 -0.64 -0.12 0.00 -1.18 0.00 0.00 61.69 60.26 3gk3 s THR 189 Cb 0.14 -2.93 0.08 0.00 1.34 0.00 0.00 72.50 71.12 3gk3 s THR 189 CO 0.00 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.84 3gk3 h ALA 190 N -0.04 0.76 -0.16 3.99 0.00 -1.96 -3.19 119.26 118.67 3gk3 h ALA 190 Ca -0.41 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.15 3gk3 h ALA 190 Cb 1.29 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.86 3gk3 h ALA 190 CO 0.51 0.34 -0.72 0.00 0.00 0.00 0.00 179.25 179.37 3gk3 h MET 191 N 0.81 0.78 -7.31 0.00 3.00 -1.96 -3.53 114.93 106.71 3gk3 h MET 191 Ca 0.20 -0.62 -0.46 0.00 0.00 0.00 0.00 59.70 58.82 3gk3 h MET 191 Cb 0.13 0.12 0.16 0.00 0.00 0.00 0.00 31.60 32.02 3gk3 h MET 191 CO -0.02 1.23 0.19 0.08 0.00 0.00 0.00 176.91 178.38 3gk3 s VAL 192 N -3.78 2.28 0.00 -0.10 1.01 -1.21 -5.23 120.40 113.38 3gk3 s VAL 192 Ca -0.11 0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3gk3 s VAL 192 Cb 0.08 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.97 3gk3 s VAL 192 CO 0.90 -0.12 0.00 0.00 0.00 0.00 0.00 175.10 175.88 3gk3 n ALA 202 N -4.19 0.00 0.04 5.51 0.00 -1.26 -4.92 120.51 115.69 3gk3 n ALA 202 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 3gk3 n ALA 202 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 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 2.80 -0.07 0.00 -0.00 -1.26 -4.82 118.16 114.81 3gk3 n LYS 203 Ca 0.00 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.31 58.24 3gk3 n LYS 203 Cb 0.00 -0.85 -0.02 0.00 -0.00 0.00 0.00 35.03 34.16 3gk3 n LYS 203 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3gk3 n ILE 204 N -1.34 1.29 -0.31 0.58 2.08 -1.26 -4.42 119.36 115.97 3gk3 n ILE 204 Ca -0.00 0.22 0.11 0.00 0.56 0.00 0.00 62.75 63.64 3gk3 n ILE 204 Cb 0.05 -2.27 0.28 0.00 -0.75 0.00 0.00 39.64 36.94 3gk3 n ILE 204 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3gk3 h LEU 205 N -0.88 0.50 -1.34 1.39 3.38 -1.94 -0.03 115.31 116.39 3gk3 h LEU 205 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gk3 h LEU 205 Cb 0.65 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3gk3 h LEU 205 CO 0.00 0.14 0.00 -0.65 0.09 0.00 0.00 178.44 178.02 3gk3 h PRO 206 N 0.56 0.00 0.00 1.13 0.11 -1.88 -1.33 132.00 130.59 3gk3 h PRO 206 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 3gk3 h PRO 206 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3gk3 h PRO 206 CO -0.44 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.39 3gk3 n GLN 207 N -2.60 0.03 -4.00 1.05 6.02 -0.02 -4.68 117.38 113.17 3gk3 n GLN 207 Ca 0.00 0.35 -0.31 0.00 -0.01 0.00 0.00 57.00 57.04 3gk3 n GLN 207 Cb 0.20 -1.57 -0.15 0.00 1.02 0.00 0.00 30.24 29.74 3gk3 n GLN 207 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3gk3 s ILE 208 N -3.06 2.05 0.36 5.09 1.01 -0.50 -4.37 121.20 121.78 3gk3 s ILE 208 Ca 0.04 -1.95 0.11 0.00 0.00 0.00 0.00 60.65 58.86 3gk3 s ILE 208 Cb 0.07 -2.39 0.34 0.00 0.01 0.00 0.00 42.46 40.48 3gk3 s ILE 208 CO 0.21 -0.39 1.84 -0.65 0.00 0.00 0.00 174.94 175.94 3gk3 h PRO 209 N 7.73 0.59 0.00 2.79 0.11 -1.77 0.49 132.00 141.94 3gk3 h PRO 209 Ca -0.11 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3gk3 h PRO 209 Cb 1.03 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3gk3 h PRO 209 CO 0.49 0.39 0.00 0.28 -0.21 0.00 0.00 178.00 178.95 3gk3 h VAL 210 N 0.61 0.00 -0.76 3.15 2.07 -1.68 -3.46 116.25 116.19 3gk3 h VAL 210 Ca 0.50 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.62 3gk3 h VAL 210 Cb 0.94 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3gk3 h VAL 210 CO -0.24 0.00 -0.10 0.61 0.02 0.00 0.00 177.57 177.85 3gk3 n GLY 211 N -0.09 0.29 3.52 2.17 0.00 0.17 -5.02 105.19 106.24 3gk3 n GLY 211 Ca 0.01 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.36 0.87 0.51 1.61 1.70 -1.26 -5.08 118.95 112.94 3gk3 s ARG 212 Ca 0.02 -0.34 -0.22 0.00 -0.47 0.00 0.00 55.73 54.72 3gk3 s ARG 212 Cb -0.01 0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 34.70 3gk3 s ARG 212 CO 0.02 -0.38 1.22 -0.51 -1.08 0.00 0.00 175.30 174.57 3gk3 s LEU 213 N -2.53 3.88 0.51 -1.89 1.43 -1.26 -4.95 118.68 113.86 3gk3 s LEU 213 Ca 0.05 2.44 -0.18 0.00 -1.03 0.00 0.00 54.13 55.41 3gk3 s LEU 213 Cb -0.01 -4.34 -0.08 0.00 0.03 0.00 0.00 46.19 41.79 3gk3 s LEU 213 CO -0.08 -1.24 1.00 -0.83 0.23 0.00 0.00 176.35 175.42 3gk3 s GLY 214 N -1.32 2.21 0.02 -3.19 0.00 -0.37 -4.74 107.32 99.93 3gk3 s GLY 214 Ca 0.69 0.33 -0.22 0.00 0.00 0.00 0.00 44.72 45.52 3gk3 s GLY 214 CO 0.37 0.62 0.65 0.50 0.00 0.00 0.00 173.10 175.24 3gk3 s ARG 215 N -3.75 4.37 0.29 2.90 0.52 -1.26 -0.45 118.95 121.57 3gk3 s ARG 215 Ca 0.62 0.85 0.02 0.00 -0.52 0.00 0.00 55.73 56.70 3gk3 s ARG 215 Cb -0.12 -3.34 0.72 0.00 0.52 0.00 0.00 34.95 32.73 3gk3 s ARG 215 CO 0.27 0.38 1.65 -1.35 0.02 0.00 0.00 175.30 176.26 3gk3 h PRO 216 N 5.49 0.21 -0.51 3.54 0.11 -1.87 -1.73 132.00 137.24 3gk3 h PRO 216 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3gk3 h PRO 216 Cb 1.20 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3gk3 h PRO 216 CO 0.69 0.14 0.29 0.22 -0.21 0.00 0.00 178.00 179.13 3gk3 h ASP 217 N 0.22 0.62 0.18 -2.05 3.58 -1.90 0.14 116.42 117.21 3gk3 h ASP 217 Ca 0.55 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.96 3gk3 h ASP 217 Cb 1.12 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 3gk3 h ASP 217 CO -0.65 0.50 -0.14 -0.33 -2.88 0.00 0.00 179.24 175.75 3gk3 h GLU 218 N 0.71 -0.31 -1.00 0.28 5.08 -1.71 0.15 114.58 117.78 3gk3 h GLU 218 Ca 0.18 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 3gk3 h GLU 218 Cb 0.01 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 3gk3 h GLU 218 CO -0.03 -0.21 0.65 0.28 -1.00 0.00 0.00 179.01 178.70 3gk3 h VAL 219 N -0.32 1.13 -0.82 3.13 2.07 -1.35 -1.72 116.25 118.38 3gk3 h VAL 219 Ca -0.01 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.14 3gk3 h VAL 219 Cb 0.29 -0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 29.80 3gk3 h VAL 219 CO -0.01 0.22 0.51 0.00 0.02 0.00 0.00 177.57 178.31 3gk3 h ALA 220 N 1.44 1.10 -0.32 1.67 0.00 -0.55 -1.65 119.26 120.95 3gk3 h ALA 220 Ca 0.42 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.33 3gk3 h ALA 220 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3gk3 h ALA 220 CO -0.15 0.27 0.18 0.00 0.00 0.00 0.00 179.25 179.55 3gk3 h ALA 221 N 1.37 0.39 -0.76 0.00 0.00 0.20 0.37 119.26 120.84 3gk3 h ALA 221 Ca 0.35 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3gk3 h ALA 221 Cb 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3gk3 h ALA 221 CO -0.15 -0.19 0.31 1.25 0.00 0.00 0.00 179.25 180.47 3gk3 h LEU 222 N 0.37 1.05 -0.27 0.00 5.85 -1.13 -1.71 115.31 119.47 3gk3 h LEU 222 Ca 0.13 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3gk3 h LEU 222 Cb 0.01 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 3gk3 h LEU 222 CO -0.06 0.93 0.14 0.40 -0.34 0.00 0.00 178.44 179.51 3gk3 h ILE 223 N 1.10 1.14 -0.60 4.05 2.04 -0.64 -1.53 117.51 123.07 3gk3 h ILE 223 Ca 0.25 -0.39 0.11 0.00 1.00 0.00 0.00 64.86 65.83 3gk3 h ILE 223 Cb 0.21 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.11 3gk3 h ILE 223 CO -0.02 0.14 0.15 0.00 0.00 0.00 0.00 178.15 178.42 3gk3 h ALA 224 N 1.00 0.73 -0.80 1.87 0.00 -0.54 0.66 119.26 122.18 3gk3 h ALA 224 Ca 0.09 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3gk3 h ALA 224 Cb 0.10 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3gk3 h ALA 224 CO -0.01 -0.28 0.52 0.35 0.00 0.00 0.00 179.25 179.83 3gk3 h PHE 225 N 0.29 0.99 0.00 0.00 3.57 -0.87 -1.85 116.94 119.07 3gk3 h PHE 225 Ca 0.31 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 3gk3 h PHE 225 Cb 0.45 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3gk3 h PHE 225 CO -0.23 0.59 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.25 3gk3 h LEU 226 N 1.04 0.00 -0.26 0.59 3.38 0.12 -2.54 115.31 117.64 3gk3 h LEU 226 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3gk3 h LEU 226 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3gk3 h LEU 226 CO -0.09 0.13 -0.58 0.00 0.09 0.00 0.00 178.44 177.99 3gk3 s SER 228 N -2.81 3.35 0.00 0.00 1.04 -0.88 -4.95 113.70 109.44 3gk3 s SER 228 Ca 0.14 0.76 0.26 0.00 0.48 0.00 0.00 55.95 57.59 3gk3 s SER 228 Cb 0.18 -1.18 1.23 0.00 0.10 0.00 0.00 66.02 66.35 3gk3 s SER 228 CO 0.69 -2.63 1.86 0.47 0.98 0.00 0.00 173.24 174.60 3gk3 n ASP 229 N -3.79 0.00 -0.44 7.02 8.00 -1.26 -2.80 116.55 123.29 3gk3 n ASP 229 Ca 0.09 0.12 0.14 0.00 0.71 0.00 0.00 54.79 55.85 3gk3 n ASP 229 Cb 0.60 -0.36 0.54 0.00 -0.02 0.00 0.00 41.12 41.87 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 -1.36 1.38 -0.60 -2.24 8.00 -1.26 -4.26 116.55 116.20 3gk3 n ASP 230 Ca 0.10 -1.42 0.06 0.00 0.71 0.00 0.00 54.79 54.24 3gk3 n ASP 230 Cb 0.24 0.01 0.19 0.00 -0.02 0.00 0.00 41.12 41.54 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 0.05 3.22 0.33 2.24 0.00 -1.12 -4.70 120.51 120.52 3gk3 n ALA 231 Ca 0.19 -2.86 0.11 0.00 0.00 0.00 0.00 53.44 50.87 3gk3 n ALA 231 Cb 0.34 -0.51 0.48 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.11 -1.12 1.08 0.00 0.00 -1.26 -2.21 105.19 100.57 3gk3 n GLY 232 Ca 0.22 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.15 0.34 -3.40 1.61 7.35 -1.26 -4.77 117.46 115.17 3gk3 n PHE 233 Ca 0.01 -0.17 -0.44 0.00 -0.76 0.00 0.00 57.45 56.09 3gk3 n PHE 233 Cb 0.17 -0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.92 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 -1.62 5.10 0.01 -2.13 1.01 -0.94 -5.06 120.40 116.77 3gk3 s VAL 234 Ca 0.35 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3gk3 s VAL 234 Cb 0.22 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3gk3 s VAL 234 CO 0.31 -0.62 -0.02 0.28 0.00 0.00 0.00 175.10 175.05 3gk3 s THR 235 N 1.61 0.13 -0.46 3.92 -1.32 -1.26 -4.67 115.64 113.58 3gk3 s THR 235 Ca 0.04 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 3gk3 s THR 235 Cb -0.25 -0.16 0.00 0.00 -1.51 0.00 0.00 72.50 70.58 3gk3 s THR 235 CO 0.05 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 3gk3 n GLY 236 N 2.65 0.42 3.78 6.08 0.00 -0.22 -4.98 105.19 112.91 3gk3 n GLY 236 Ca -0.15 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.22 3.53 -0.37 4.61 0.00 -1.26 -4.76 121.76 121.30 3gk3 s ALA 237 Ca 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 51.96 50.70 3gk3 s ALA 237 Cb 0.00 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.81 3gk3 s ALA 237 CO 0.00 0.57 0.17 0.34 0.00 0.00 0.00 175.76 176.84 3gk3 s ASP 238 N -2.89 5.55 -0.38 0.00 2.15 -1.26 -1.19 116.67 118.65 3gk3 s ASP 238 Ca 0.30 -1.14 -0.23 0.00 0.43 0.00 0.00 52.55 51.91 3gk3 s ASP 238 Cb -0.11 -1.95 0.01 0.00 -0.30 0.00 0.00 42.92 40.57 3gk3 s ASP 238 CO 0.23 -0.39 0.77 -0.76 -0.17 0.00 0.00 175.17 174.84 3gk3 s LEU 239 N 1.47 4.17 -0.16 -1.34 1.02 0.12 -4.93 118.68 119.03 3gk3 s LEU 239 Ca 0.01 0.22 -0.18 0.00 0.02 0.00 0.00 54.13 54.20 3gk3 s LEU 239 Cb -0.20 -2.98 -0.04 0.00 0.02 0.00 0.00 46.19 42.99 3gk3 s LEU 239 CO 0.04 -0.76 0.51 0.00 0.02 0.00 0.00 176.35 176.16 3gk3 s ALA 240 N 3.10 3.51 -0.49 4.21 0.00 -1.26 0.31 121.76 131.13 3gk3 s ALA 240 Ca 0.30 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.01 3gk3 s ALA 240 Cb -0.13 -2.74 0.17 0.00 0.00 0.00 0.00 23.12 20.42 3gk3 s ALA 240 CO 0.18 -0.24 0.39 1.51 0.00 0.00 0.00 175.76 177.60 3gk3 n ILE 241 N 4.14 -0.42 -0.76 0.00 3.06 -1.00 -4.95 119.36 119.43 3gk3 n ILE 241 Ca -0.06 -3.84 0.03 0.00 -2.50 0.00 0.00 62.75 56.38 3gk3 n ILE 241 Cb 0.51 -1.81 0.04 0.00 0.54 0.00 0.00 39.64 38.93 3gk3 n ILE 241 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 3gk3 n ASN 242 N 2.54 1.49 -0.42 9.51 0.23 -1.26 -1.93 115.26 125.42 3gk3 n ASN 242 Ca 0.27 -2.16 -0.06 0.00 -0.53 0.00 0.00 54.58 52.11 3gk3 n ASN 242 Cb 0.45 -0.16 -0.02 0.00 -2.08 0.00 0.00 39.78 37.97 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 -0.63 0.75 1.49 4.83 0.00 -1.26 -2.10 105.19 108.26 3gk3 n GLY 243 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.38 0.72 0.25 -0.02 0.00 -1.26 -1.65 105.19 101.84 3gk3 n GLY 244 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 2.51 0.00 -4.03 1.61 1.85 -1.62 -3.41 114.93 111.84 3gk3 h MET 245 Ca 0.00 0.00 -0.30 0.00 -0.61 0.00 0.00 59.70 58.79 3gk3 h MET 245 Cb 0.00 0.00 -0.29 0.00 0.43 0.00 0.00 31.60 31.74 3gk3 h MET 245 CO 0.00 0.06 -0.74 -1.58 -0.40 0.00 0.00 176.91 174.25 3gk3 s HIS 246 N -4.89 0.30 0.16 1.39 5.65 -1.26 -4.94 115.29 111.70 3gk3 s HIS 246 Ca -0.05 -0.05 0.02 0.00 0.25 0.00 0.00 55.06 55.23 3gk3 s HIS 246 Cb 0.16 -0.22 -0.05 0.00 -1.18 0.00 0.00 32.58 31.29 3gk3 s HIS 246 CO 0.67 -0.03 -0.01 -1.64 -0.65 0.00 0.00 174.74 173.09 3gk3 s MET 247 N 0.10 1.08 0.00 2.88 1.00 -1.26 -4.93 119.30 118.17 3gk3 s MET 247 Ca -0.01 -1.51 0.00 0.00 0.00 0.00 0.00 55.69 54.17 3gk3 s MET 247 Cb -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 34.83 34.52 3gk3 s MET 247 CO -0.00 -0.11 0.00 0.43 0.00 0.00 0.00 175.02 175.33