#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkn n MET 1 N 0.00 0.79 -4.38 0.00 0.00 -1.26 -4.79 117.12 107.49 3gkn n MET 1 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.46 3gkn n MET 1 Cb 0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 33.22 32.08 3gkn n MET 1 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3gkn s THR 2 N -2.00 2.94 0.09 2.03 -4.23 -1.26 -5.15 115.64 108.06 3gkn s THR 2 Ca 0.04 -2.10 0.02 0.00 -1.18 0.00 0.00 61.69 58.47 3gkn s THR 2 Cb 0.02 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 3gkn s THR 2 CO 0.03 -0.34 -0.07 -1.81 -0.54 0.00 0.00 174.62 171.89 3gkn s ASP 3 N -3.44 1.12 0.18 3.99 -0.00 -1.26 -5.14 116.67 112.12 3gkn s ASP 3 Ca 0.29 -0.89 -0.28 0.00 -0.00 0.00 0.00 52.55 51.68 3gkn s ASP 3 Cb -0.06 0.07 -0.08 0.00 -0.00 0.00 0.00 42.92 42.85 3gkn s ASP 3 CO 0.17 -0.39 0.87 0.00 -0.00 0.00 0.00 175.17 175.82 3gkn s ALA 4 N -3.00 3.37 0.03 5.23 0.00 -1.26 -5.01 121.76 121.11 3gkn s ALA 4 Ca 0.06 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 3gkn s ALA 4 Cb 0.01 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3gkn s ALA 4 CO -0.03 0.19 1.11 0.54 0.00 0.00 0.00 175.76 177.57 3gkn s VAL 5 N -0.91 4.39 -0.11 0.00 0.11 -1.26 -4.97 120.40 117.65 3gkn s VAL 5 Ca 0.40 1.72 -0.29 0.00 -2.93 0.00 0.00 61.98 60.87 3gkn s VAL 5 Cb -0.24 -4.10 -0.04 0.00 -1.53 0.00 0.00 36.38 30.47 3gkn s VAL 5 CO 0.29 0.13 1.58 -0.22 -3.33 0.00 0.00 175.10 173.55 3gkn s LEU 6 N 1.10 4.19 -0.29 2.54 2.96 -1.26 -4.98 118.68 122.94 3gkn s LEU 6 Ca 0.56 1.99 -0.01 0.00 -0.22 0.00 0.00 54.13 56.45 3gkn s LEU 6 Cb -0.26 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 42.95 3gkn s LEU 6 CO 0.28 -0.98 -0.02 -1.61 -1.32 0.00 0.00 176.35 172.70 3gkn s GLU 7 N 4.10 2.42 0.14 1.98 2.02 -1.26 -4.48 118.70 123.62 3gkn s GLU 7 Ca 0.70 -1.26 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 3gkn s GLU 7 Cb -0.29 -3.12 -0.07 0.00 0.10 0.00 0.00 34.13 30.75 3gkn s GLU 7 CO 0.27 -0.60 1.18 -0.51 0.02 0.00 0.00 175.26 175.62 3gkn s LEU 8 N 1.23 4.43 0.60 1.80 1.43 -1.26 -5.00 118.68 121.90 3gkn s LEU 8 Ca -0.06 2.13 -0.19 0.00 -1.03 0.00 0.00 54.13 54.98 3gkn s LEU 8 Cb -0.20 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 3gkn s LEU 8 CO -0.02 -0.38 1.27 -2.84 0.23 0.00 0.00 176.35 174.62 3gkn s PRO 9 N 0.20 2.88 0.26 1.29 0.02 -1.26 -4.90 135.00 133.48 3gkn s PRO 9 Ca 0.54 2.01 -0.01 0.00 0.02 0.00 0.00 61.00 63.56 3gkn s PRO 9 Cb -0.31 -1.99 0.55 0.00 0.02 0.00 0.00 34.50 32.77 3gkn s PRO 9 CO 0.34 -1.33 1.72 0.00 -0.33 0.00 0.00 177.00 177.40 3gkn h ALA 10 N 0.93 1.19 -0.31 -1.55 0.00 -2.04 -0.99 119.26 116.50 3gkn h ALA 10 Ca -0.51 0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.61 3gkn h ALA 10 Cb 1.31 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3gkn h ALA 10 CO 0.55 -0.23 0.22 0.00 0.00 0.00 0.00 179.25 179.79 3gkn h ALA 11 N 1.60 2.26 -0.98 0.00 0.00 -2.02 -2.67 119.26 117.46 3gkn h ALA 11 Ca 0.46 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.51 3gkn h ALA 11 Cb 0.76 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.47 3gkn h ALA 11 CO -0.44 -0.34 0.59 1.15 0.00 0.00 0.00 179.25 180.21 3gkn h THR 12 N 0.02 0.83 0.00 0.00 2.02 -1.53 -2.08 112.91 112.18 3gkn h THR 12 Ca 0.14 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3gkn h THR 12 Cb 0.55 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3gkn h THR 12 CO -0.01 0.16 0.00 0.49 0.37 0.00 0.00 175.52 176.53 3gkn n PHE 13 N -4.70 0.44 0.65 3.16 3.01 -1.01 -2.70 117.46 116.32 3gkn n PHE 13 Ca 0.20 0.17 0.07 0.00 1.01 0.00 0.00 57.45 58.90 3gkn n PHE 13 Cb 0.43 -0.77 -0.02 0.00 -0.01 0.00 0.00 39.48 39.10 3gkn n PHE 13 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3gkn n ASP 14 N -1.90 1.30 -4.70 4.37 10.43 -0.80 -1.52 116.55 123.74 3gkn n ASP 14 Ca 0.03 -1.15 -0.42 0.00 2.57 0.00 0.00 54.79 55.82 3gkn n ASP 14 Cb 0.22 0.61 -0.03 0.00 1.84 0.00 0.00 41.12 43.76 3gkn n ASP 14 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3gkn s LEU 15 N -2.13 4.39 0.36 0.64 1.43 -1.10 -4.93 118.68 117.35 3gkn s LEU 15 Ca 0.10 2.74 -0.28 0.00 -1.03 0.00 0.00 54.13 55.67 3gkn s LEU 15 Cb 0.11 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.67 3gkn s LEU 15 CO 0.42 -0.98 1.32 -2.84 0.23 0.00 0.00 176.35 174.50 3gkn s PRO 16 N 2.46 4.20 -0.35 1.29 0.02 -1.26 -4.54 135.00 136.82 3gkn s PRO 16 Ca 0.79 2.23 -0.01 0.00 0.02 0.00 0.00 61.00 64.02 3gkn s PRO 16 Cb -0.46 -2.95 0.08 0.00 0.02 0.00 0.00 34.50 31.19 3gkn s PRO 16 CO 0.35 -0.33 0.09 -0.51 -0.33 0.00 0.00 177.00 176.27 3gkn s LEU 17 N -2.04 4.54 -0.02 -5.54 1.43 0.12 -4.94 118.68 112.22 3gkn s LEU 17 Ca 0.52 -1.69 -0.30 0.00 -1.03 0.00 0.00 54.13 51.63 3gkn s LEU 17 Cb -0.40 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.02 3gkn s LEU 17 CO 0.53 -0.39 1.62 -0.94 0.23 0.00 0.00 176.35 177.40 3gkn s SER 18 N 1.43 6.68 0.00 2.29 1.04 -1.26 -1.69 113.70 122.19 3gkn s SER 18 Ca 0.02 2.27 0.00 0.00 0.48 0.00 0.00 55.95 58.72 3gkn s SER 18 Cb -0.21 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3gkn s SER 18 CO -0.03 -0.89 0.00 0.18 0.98 0.00 0.00 173.24 173.47 3gkn n LEU 19 N 6.62 0.00 -4.92 2.42 4.77 0.11 -3.95 117.00 122.05 3gkn n LEU 19 Ca 0.16 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.88 3gkn n LEU 19 Cb 0.42 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3gkn n LEU 19 CO 0.62 -0.31 0.47 -0.94 -1.33 0.00 0.00 177.39 175.90 3gkn s SER 20 N -0.99 5.77 -0.80 -1.43 1.04 -1.26 -3.95 113.70 112.07 3gkn s SER 20 Ca 0.00 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.12 3gkn s SER 20 Cb 0.00 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.33 3gkn s SER 20 CO 0.00 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.93 3gkn n GLY 21 N -2.43 0.45 3.50 7.32 0.00 -1.26 -3.32 105.19 109.45 3gkn n GLY 21 Ca 0.03 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 3gkn n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gkn n GLY 22 N -1.40 -0.44 3.52 -0.02 0.00 -1.26 -5.01 105.19 100.57 3gkn n GLY 22 Ca -0.09 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3gkn n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gkn s THR 23 N -3.34 0.96 0.24 2.61 -4.23 -1.21 -5.03 115.64 105.64 3gkn s THR 23 Ca 0.25 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.58 3gkn s THR 23 Cb -0.11 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.21 3gkn s THR 23 CO 0.73 0.00 0.60 0.00 -0.54 0.00 0.00 174.62 175.41 3gkn s GLN 24 N -3.81 1.58 0.31 3.99 -2.07 -1.26 0.04 119.66 118.45 3gkn s GLN 24 Ca 0.28 -0.98 -0.01 0.00 -1.82 0.00 0.00 55.36 52.83 3gkn s GLN 24 Cb 0.05 0.55 0.01 0.00 -1.09 0.00 0.00 33.01 32.53 3gkn s GLN 24 CO 0.14 -0.69 0.43 -2.37 -1.32 0.00 0.00 175.29 171.47 3gkn n THR 25 N -0.40 0.00 -4.08 3.63 5.66 -0.68 -4.91 114.28 113.49 3gkn n THR 25 Ca -0.06 -1.61 -0.10 0.00 -3.05 0.00 0.00 64.05 59.23 3gkn n THR 25 Cb 0.61 0.98 -0.08 0.00 -1.55 0.00 0.00 70.33 70.29 3gkn n THR 25 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3gkn s THR 26 N -2.79 0.05 0.19 1.09 -4.23 -1.26 0.15 115.64 108.84 3gkn s THR 26 Ca 0.26 -1.69 -0.08 0.00 -1.18 0.00 0.00 61.69 59.00 3gkn s THR 26 Cb -0.01 -2.11 0.05 0.00 1.34 0.00 0.00 72.50 71.77 3gkn s THR 26 CO 0.19 -0.23 1.62 -0.07 -0.54 0.00 0.00 174.62 175.59 3gkn h LEU 27 N 2.61 0.99 -1.51 4.79 3.38 -1.77 -2.81 115.31 120.99 3gkn h LEU 27 Ca -0.33 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 3gkn h LEU 27 Cb 1.23 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3gkn h LEU 27 CO 0.51 1.10 0.21 -0.09 0.09 0.00 0.00 178.44 180.26 3gkn h ARG 28 N 0.89 0.54 0.00 1.13 9.65 -1.63 -0.88 114.38 124.07 3gkn h ARG 28 Ca 0.14 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3gkn h ARG 28 Cb 0.66 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.12 3gkn h ARG 28 CO 0.05 0.41 -0.01 0.00 2.80 0.00 0.00 179.97 183.21 3gkn h ALA 29 N 1.69 1.10 -0.34 2.80 0.00 -1.75 -1.48 119.26 121.27 3gkn h ALA 29 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gkn h ALA 29 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gkn h ALA 29 CO -0.02 0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.96 3gkn n HIS 30 N -3.24 0.46 -1.64 0.00 8.25 -0.34 -4.94 115.22 113.77 3gkn n HIS 30 Ca -0.03 -0.23 -0.46 0.00 -0.26 0.00 0.00 57.72 56.75 3gkn n HIS 30 Cb 0.10 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 3gkn n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gkn n ALA 31 N 0.50 0.48 0.00 -1.41 0.00 -0.56 -1.05 120.51 118.47 3gkn n ALA 31 Ca 0.12 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3gkn n ALA 31 Cb 0.29 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3gkn n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gkn n GLY 32 N 1.96 3.10 3.57 0.00 0.00 -0.30 -5.05 105.19 108.48 3gkn n GLY 32 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3gkn n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gkn s HIS 33 N -2.86 2.82 0.48 1.61 3.76 -0.22 -4.83 115.29 116.06 3gkn s HIS 33 Ca 0.00 -0.08 -0.21 0.00 -0.15 0.00 0.00 55.06 54.62 3gkn s HIS 33 Cb 0.00 -1.57 -0.08 0.00 1.11 0.00 0.00 32.58 32.04 3gkn s HIS 33 CO 0.00 0.36 1.06 -1.58 -0.85 0.00 0.00 174.74 173.72 3gkn s TRP 34 N -1.00 2.98 -0.05 1.40 0.52 -0.19 -3.71 118.94 118.89 3gkn s TRP 34 Ca 0.17 1.58 0.02 0.00 0.02 0.00 0.00 56.10 57.89 3gkn s TRP 34 Cb -0.11 -3.11 0.01 0.00 -1.15 0.00 0.00 33.47 29.11 3gkn s TRP 34 CO 0.08 -0.93 -0.09 -1.17 0.02 0.00 0.00 176.95 174.86 3gkn s LEU 35 N -3.41 1.58 -0.28 2.99 2.96 -0.10 -0.95 118.68 121.47 3gkn s LEU 35 Ca 0.67 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 54.30 3gkn s LEU 35 Cb -0.18 -0.63 0.00 0.00 0.50 0.00 0.00 46.19 45.88 3gkn s LEU 35 CO 0.22 0.01 0.06 -0.69 -1.32 0.00 0.00 176.35 174.64 3gkn s VAL 36 N 0.61 3.91 -0.25 1.68 1.01 -0.09 -0.13 120.40 127.15 3gkn s VAL 36 Ca -0.11 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 3gkn s VAL 36 Cb -0.14 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.30 3gkn s VAL 36 CO 0.02 0.13 -0.07 -0.63 0.00 0.00 0.00 175.10 174.55 3gkn s ILE 37 N 1.50 2.76 -0.07 2.22 1.01 -0.11 -0.98 121.20 127.53 3gkn s ILE 37 Ca 0.03 -1.08 0.04 0.00 0.00 0.00 0.00 60.65 59.63 3gkn s ILE 37 Cb -0.17 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 3gkn s ILE 37 CO 0.02 0.19 -0.18 -0.72 0.00 0.00 0.00 174.94 174.25 3gkn s TYR 38 N 1.30 2.63 -0.08 3.97 1.13 -0.42 -0.63 117.35 125.25 3gkn s TYR 38 Ca -0.00 -0.47 -0.02 0.00 -1.41 0.00 0.00 57.07 55.17 3gkn s TYR 38 Cb -0.17 -1.67 -0.03 0.00 -1.10 0.00 0.00 41.96 38.99 3gkn s TYR 38 CO -0.05 -0.05 0.01 -0.06 -2.51 0.00 0.00 175.55 172.89 3gkn s PHE 39 N -0.28 3.17 0.01 -3.49 0.08 0.13 0.27 117.98 117.86 3gkn s PHE 39 Ca 0.01 0.20 -0.02 0.00 0.12 0.00 0.00 56.93 57.24 3gkn s PHE 39 Cb -0.13 -1.79 -0.01 0.00 -0.57 0.00 0.00 43.02 40.53 3gkn s PHE 39 CO 0.03 0.48 0.03 1.52 -0.10 0.00 0.00 175.22 177.18 3gkn s TYR 40 N -0.90 0.13 0.61 0.36 1.13 -0.37 -2.38 117.35 115.93 3gkn s TYR 40 Ca 0.14 -0.28 -0.14 0.00 -1.41 0.00 0.00 57.07 55.38 3gkn s TYR 40 Cb -0.11 -0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.61 3gkn s TYR 40 CO 0.03 -0.18 1.04 -1.25 -2.51 0.00 0.00 175.55 172.68 3gkn s PRO 41 N -1.12 3.33 -0.95 -3.49 0.04 -1.26 -4.43 135.00 127.13 3gkn s PRO 41 Ca -0.12 1.06 -0.23 0.00 0.04 0.00 0.00 61.00 61.75 3gkn s PRO 41 Cb -0.07 -2.04 -0.14 0.00 0.04 0.00 0.00 34.50 32.29 3gkn s PRO 41 CO -0.00 -0.79 1.92 0.36 0.04 0.00 0.00 177.00 178.53 3gkn n LYS 42 N -2.33 1.46 0.00 4.56 0.00 -1.26 -4.87 118.16 115.72 3gkn n LYS 42 Ca 0.08 -2.12 0.00 0.00 -0.00 0.00 0.00 58.31 56.27 3gkn n LYS 42 Cb 0.53 -3.32 0.00 0.00 -0.00 0.00 0.00 35.03 32.25 3gkn n LYS 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gkn n GLY 47 N 5.19 1.05 0.18 2.58 0.00 -1.26 -5.16 105.19 107.77 3gkn n GLY 47 Ca 0.47 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 3gkn n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkn h ALA 48 N 0.00 -0.35 -0.68 4.61 0.00 -1.99 -0.83 119.26 120.02 3gkn h ALA 48 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gkn h ALA 48 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3gkn h ALA 48 CO 0.00 -0.49 0.43 0.00 0.00 0.00 0.00 179.25 179.18 3gkn h THR 49 N -0.75 1.19 -0.10 0.00 1.03 -1.99 -1.74 112.91 110.54 3gkn h THR 49 Ca -0.04 -0.38 -0.00 0.00 -0.01 0.00 0.00 66.41 65.98 3gkn h THR 49 Cb 0.50 0.22 -0.00 0.00 -1.07 0.00 0.00 68.15 67.79 3gkn h THR 49 CO 0.06 0.19 0.05 0.74 -0.01 0.00 0.00 175.52 176.54 3gkn h THR 50 N 0.92 1.12 -0.92 0.00 2.02 -1.99 0.41 112.91 114.48 3gkn h THR 50 Ca 0.25 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3gkn h THR 50 Cb -0.06 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 3gkn h THR 50 CO -0.05 0.11 0.54 -0.08 0.37 0.00 0.00 175.52 176.41 3gkn h GLU 51 N 0.03 1.26 -0.49 6.66 4.81 -1.02 0.32 114.58 126.15 3gkn h GLU 51 Ca 0.03 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3gkn h GLU 51 Cb 0.13 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3gkn h GLU 51 CO -0.00 0.89 0.17 0.78 -0.73 0.00 0.00 179.01 180.11 3gkn h GLY 52 N 1.28 0.81 1.67 1.92 0.00 -1.05 -1.84 103.07 105.85 3gkn h GLY 52 Ca 0.33 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3gkn h GLY 52 CO -0.06 0.43 -0.27 1.41 0.00 0.00 0.00 176.54 178.06 3gkn h LEU 53 N 0.66 0.39 -0.31 3.11 3.38 -0.41 -1.16 115.31 120.97 3gkn h LEU 53 Ca 0.16 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3gkn h LEU 53 Cb 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3gkn h LEU 53 CO -0.01 0.65 0.02 0.44 0.09 0.00 0.00 178.44 179.64 3gkn h ASP 54 N 0.34 0.52 -0.55 -0.43 3.32 -0.64 0.36 116.42 119.33 3gkn h ASP 54 Ca 0.05 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.70 3gkn h ASP 54 Cb 0.66 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3gkn h ASP 54 CO 0.05 0.68 -0.10 -0.26 -1.72 0.00 0.00 179.24 177.88 3gkn h PHE 55 N 0.34 1.16 -0.51 4.55 0.04 -1.21 -2.86 116.94 118.46 3gkn h PHE 55 Ca 0.09 -0.24 -0.04 0.00 2.80 0.00 0.00 57.97 60.58 3gkn h PHE 55 Cb 0.40 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 3gkn h PHE 55 CO 0.03 1.07 0.15 -0.97 -0.60 0.00 0.00 178.31 177.99 3gkn h ASN 56 N 0.92 0.70 0.03 2.17 -1.24 -1.03 -1.81 115.58 115.32 3gkn h ASN 56 Ca 0.14 -0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 3gkn h ASN 56 Cb 0.67 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.54 3gkn h ASN 56 CO 0.05 0.68 -0.01 0.00 -1.29 0.00 0.00 177.43 176.86 3gkn h ALA 57 N 1.42 1.62 -0.48 1.57 0.00 -0.69 -1.87 119.26 120.82 3gkn h ALA 57 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gkn h ALA 57 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gkn h ALA 57 CO -0.01 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.54 3gkn n LEU 58 N -3.99 3.29 -0.22 0.00 4.77 -0.74 -4.72 117.00 115.38 3gkn n LEU 58 Ca -0.03 -1.96 0.03 0.00 -0.03 0.00 0.00 56.01 54.02 3gkn n LEU 58 Cb 0.10 -0.32 0.13 0.00 -2.33 0.00 0.00 43.42 41.00 3gkn n LEU 58 CO 0.29 0.81 0.91 0.25 -1.33 0.00 0.00 177.39 178.33 3gkn h LEU 59 N 2.92 -0.04 -1.39 2.23 5.85 -0.69 -0.60 115.31 123.59 3gkn h LEU 59 Ca 0.00 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3gkn h LEU 59 Cb 0.83 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3gkn h LEU 59 CO 0.00 -0.03 0.48 -0.65 -0.34 0.00 0.00 178.44 177.90 3gkn h PRO 60 N 0.24 0.70 -0.34 5.25 0.11 -1.84 0.16 132.00 136.28 3gkn h PRO 60 Ca 0.35 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.27 3gkn h PRO 60 Cb 0.56 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3gkn h PRO 60 CO -0.46 0.46 -0.38 0.93 -0.21 0.00 0.00 178.00 178.34 3gkn h GLU 61 N 0.72 0.85 -0.61 1.05 5.08 -1.50 -1.42 114.58 118.75 3gkn h GLU 61 Ca 0.32 -0.46 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 3gkn h GLU 61 Cb 0.33 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3gkn h GLU 61 CO -0.11 1.10 0.09 0.74 -1.00 0.00 0.00 179.01 179.84 3gkn h PHE 62 N 0.63 1.04 -0.06 4.33 0.04 -0.47 -2.22 116.94 120.23 3gkn h PHE 62 Ca 0.05 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.69 3gkn h PHE 62 Cb 0.97 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.82 3gkn h PHE 62 CO 0.07 0.88 0.04 -0.44 -0.60 0.00 0.00 178.31 178.26 3gkn h ASP 63 N 0.93 0.07 -0.27 2.17 3.32 -0.58 -0.88 116.42 121.17 3gkn h ASP 63 Ca 0.19 -0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.29 3gkn h ASP 63 Cb 0.41 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3gkn h ASP 63 CO 0.01 0.07 0.19 0.50 -1.72 0.00 0.00 179.24 178.29 3gkn h LYS 64 N 0.06 0.05 -0.01 3.56 3.64 -1.01 0.92 116.57 123.78 3gkn h LYS 64 Ca 0.02 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3gkn h LYS 64 Cb 0.01 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3gkn h LYS 64 CO -0.00 0.03 -0.01 0.00 -2.27 0.00 0.00 179.45 177.20 3gkn n ALA 65 N -2.58 2.65 -2.09 5.00 0.00 -0.86 -4.90 120.51 117.73 3gkn n ALA 65 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.15 3gkn n ALA 65 Cb 0.32 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 3gkn n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gkn n GLY 66 N 1.09 0.33 3.57 0.00 0.00 0.32 -4.85 105.19 105.65 3gkn n GLY 66 Ca 0.21 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 3gkn n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkn s ALA 67 N -2.18 2.97 0.10 4.61 0.00 -0.38 -1.02 121.76 125.86 3gkn s ALA 67 Ca 0.00 -1.68 0.08 0.00 0.00 0.00 0.00 51.96 50.37 3gkn s ALA 67 Cb -0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 3gkn s ALA 67 CO 0.01 0.32 -0.21 0.15 0.00 0.00 0.00 175.76 176.02 3gkn s LYS 68 N -3.40 1.14 -0.02 0.00 -0.14 -0.13 -4.11 119.74 113.09 3gkn s LYS 68 Ca 0.29 -1.17 0.06 0.00 -1.36 0.00 0.00 55.97 53.79 3gkn s LYS 68 Cb -0.07 -1.42 -0.02 0.00 -1.68 0.00 0.00 37.83 34.64 3gkn s LYS 68 CO 0.17 0.33 -0.20 0.42 -0.76 0.00 0.00 175.35 175.32 3gkn s ILE 69 N -1.15 2.62 -0.05 2.17 1.01 -1.26 -0.91 121.20 123.63 3gkn s ILE 69 Ca 0.07 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 3gkn s ILE 69 Cb -0.10 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.40 3gkn s ILE 69 CO 0.04 0.55 -0.02 -0.76 0.00 0.00 0.00 174.94 174.75 3gkn s LEU 70 N -0.79 1.00 -0.16 2.97 1.43 -0.15 -4.03 118.68 118.96 3gkn s LEU 70 Ca 0.11 -0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.04 3gkn s LEU 70 Cb -0.10 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 3gkn s LEU 70 CO 0.01 -0.12 0.10 -0.83 0.23 0.00 0.00 176.35 175.73 3gkn s GLY 71 N 1.37 2.01 -0.04 -3.19 0.00 -0.24 -1.30 107.32 105.93 3gkn s GLY 71 Ca -0.04 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.00 3gkn s GLY 71 CO -0.02 -0.12 -0.13 0.14 0.00 0.00 0.00 173.10 172.96 3gkn s VAL 72 N -0.18 1.16 0.31 1.40 1.01 0.14 -0.08 120.40 124.17 3gkn s VAL 72 Ca 0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 3gkn s VAL 72 Cb -0.12 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3gkn s VAL 72 CO 0.01 0.35 0.40 -0.55 0.00 0.00 0.00 175.10 175.31 3gkn s SER 73 N 0.25 0.74 0.02 3.32 0.15 -0.87 -1.24 113.70 116.06 3gkn s SER 73 Ca -0.06 -1.42 -0.26 0.00 0.70 0.00 0.00 55.95 54.91 3gkn s SER 73 Cb -0.12 0.60 -0.17 0.00 -1.71 0.00 0.00 66.02 64.62 3gkn s SER 73 CO 0.02 -1.18 1.33 -0.09 1.20 0.00 0.00 173.24 174.52 3gkn h ARG 74 N 2.21 -0.39 -3.71 5.44 1.12 -1.81 0.11 114.38 117.34 3gkn h ARG 74 Ca -0.29 0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 58.53 3gkn h ARG 74 Cb 1.24 0.09 -0.12 0.00 -0.01 0.00 0.00 29.97 31.17 3gkn h ARG 74 CO 0.40 -0.09 -0.23 0.16 -3.11 0.00 0.00 179.97 177.10 3gkn s ASP 75 N -5.05 -0.04 0.00 -3.80 -4.77 -1.26 -2.98 116.67 98.77 3gkn s ASP 75 Ca -0.15 -0.73 0.00 0.00 -3.30 0.00 0.00 52.55 48.37 3gkn s ASP 75 Cb 0.03 0.46 0.00 0.00 -1.09 0.00 0.00 42.92 42.32 3gkn s ASP 75 CO 0.57 -0.92 0.00 2.29 0.70 0.00 0.00 175.17 177.81 3gkn n LYS 78 N -0.23 1.59 -3.65 2.11 0.00 -1.26 -4.95 118.16 111.77 3gkn n LYS 78 Ca -0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.85 3gkn n LYS 78 Cb 0.63 -0.58 -0.09 0.00 -0.00 0.00 0.00 35.03 34.99 3gkn n LYS 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3gkn s SER 79 N -1.09 6.12 -0.15 -5.58 0.15 -1.26 -3.26 113.70 108.63 3gkn s SER 79 Ca 0.00 0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.73 3gkn s SER 79 Cb 0.00 -2.11 -0.03 0.00 -1.71 0.00 0.00 66.02 62.17 3gkn s SER 79 CO 0.00 0.06 -0.02 -1.00 1.20 0.00 0.00 173.24 173.48 3gkn s HIS 80 N 1.08 3.07 0.18 3.44 3.76 -1.26 -5.01 115.29 120.57 3gkn s HIS 80 Ca 0.08 -0.16 -0.10 0.00 -0.15 0.00 0.00 55.06 54.73 3gkn s HIS 80 Cb -0.14 -1.95 0.09 0.00 1.11 0.00 0.00 32.58 31.69 3gkn s HIS 80 CO 0.05 0.07 1.69 -0.44 -0.85 0.00 0.00 174.74 175.26 3gkn h ASP 81 N 6.45 1.00 -0.82 1.40 3.45 -1.96 -3.25 116.42 122.68 3gkn h ASP 81 Ca -0.35 -0.24 -0.72 0.00 0.43 0.00 0.00 57.03 56.14 3gkn h ASP 81 Cb 1.19 -0.26 -0.08 0.00 -0.56 0.00 0.00 39.33 39.61 3gkn h ASP 81 CO 0.63 0.99 2.79 0.59 -1.57 0.00 0.00 179.24 182.66 3gkn n ASN 82 N -4.28 7.69 -3.47 6.45 3.02 -1.26 -4.86 115.26 118.55 3gkn n ASN 82 Ca 0.04 -2.97 -0.13 0.00 -0.03 0.00 0.00 54.58 51.48 3gkn n ASN 82 Cb 0.26 -1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 37.96 3gkn n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3gkn s PHE 83 N 0.10 -0.53 -1.75 3.10 5.36 -1.23 -4.98 117.98 118.06 3gkn s PHE 83 Ca 0.56 0.56 0.29 0.00 -0.96 0.00 0.00 56.93 57.38 3gkn s PHE 83 Cb 0.17 0.51 1.31 0.00 -0.34 0.00 0.00 43.02 44.66 3gkn s PHE 83 CO -0.07 -0.70 1.90 0.00 -1.46 0.00 0.00 175.22 174.89 3gkn s ALA 85 N -2.38 2.09 -0.32 0.00 0.00 -1.26 -5.02 121.76 114.86 3gkn s ALA 85 Ca 0.32 -1.41 0.26 0.00 0.00 0.00 0.00 51.96 51.13 3gkn s ALA 85 Cb 0.20 -0.27 1.09 0.00 0.00 0.00 0.00 23.12 24.14 3gkn s ALA 85 CO 0.45 0.38 1.79 1.57 0.00 0.00 0.00 175.76 179.94 3gkn h LYS 86 N 3.69 0.00 -4.19 0.00 -0.00 -1.90 -3.43 116.57 110.75 3gkn h LYS 86 Ca -0.46 0.00 -0.20 0.00 -0.00 0.00 0.00 60.65 59.99 3gkn h LYS 86 Cb 1.19 0.00 -0.20 0.00 -0.00 0.00 0.00 32.23 33.22 3gkn h LYS 86 CO 0.44 0.00 -0.71 -0.65 -0.00 0.00 0.00 179.45 178.53 3gkn s GLN 87 N -3.41 0.41 0.33 0.07 -1.52 -1.26 -4.07 119.66 110.21 3gkn s GLN 87 Ca 0.03 -0.73 0.00 0.00 -1.95 0.00 0.00 55.36 52.72 3gkn s GLN 87 Cb 0.09 -0.00 0.00 0.00 -0.22 0.00 0.00 33.01 32.88 3gkn s GLN 87 CO 0.43 -0.03 0.00 0.41 -0.25 0.00 0.00 175.29 175.85 3gkn n GLY 88 N 1.38 -2.41 3.61 3.09 0.00 -1.20 -4.97 105.19 104.69 3gkn n GLY 88 Ca -0.22 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 3gkn n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gkn s PHE 89 N -0.59 0.77 0.51 1.61 5.36 -1.26 -4.57 117.98 119.81 3gkn s PHE 89 Ca 0.00 -1.17 0.16 0.00 -0.96 0.00 0.00 56.93 54.96 3gkn s PHE 89 Cb 0.00 0.27 1.25 0.00 -0.34 0.00 0.00 43.02 44.20 3gkn s PHE 89 CO 0.00 -1.34 2.14 0.00 -1.46 0.00 0.00 175.22 174.56 3gkn h ALA 90 N 2.04 2.00 -2.27 11.12 0.00 -1.97 -3.42 119.26 126.75 3gkn h ALA 90 Ca -0.30 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 3gkn h ALA 90 Cb 1.24 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 3gkn h ALA 90 CO 0.40 -0.00 -0.64 -0.59 0.00 0.00 0.00 179.25 178.41 3gkn s PHE 91 N -5.09 0.48 0.27 0.00 -0.12 -1.26 -5.10 117.98 107.16 3gkn s PHE 91 Ca -0.05 -1.01 -0.30 0.00 -0.05 0.00 0.00 56.93 55.51 3gkn s PHE 91 Cb 0.17 -0.35 -0.12 0.00 -0.63 0.00 0.00 43.02 42.09 3gkn s PHE 91 CO 0.68 -0.40 1.56 -2.30 -0.05 0.00 0.00 175.22 174.70 3gkn n PRO 92 N 0.10 2.53 -3.84 1.99 -0.02 -1.26 -4.89 135.00 129.61 3gkn n PRO 92 Ca -0.14 0.90 -0.32 0.00 -2.02 0.00 0.00 63.50 61.92 3gkn n PRO 92 Cb 0.61 -2.66 -0.11 0.00 -0.02 0.00 0.00 33.50 31.32 3gkn n PRO 92 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gkn s LEU 93 N -0.22 4.85 0.29 2.45 1.43 -1.26 -1.08 118.68 125.14 3gkn s LEU 93 Ca 0.66 -3.38 -0.29 0.00 -1.03 0.00 0.00 54.13 50.09 3gkn s LEU 93 Cb -0.54 -1.72 -0.10 0.00 0.03 0.00 0.00 46.19 43.86 3gkn s LEU 93 CO 0.48 -0.20 1.30 -0.69 0.23 0.00 0.00 176.35 177.47 3gkn s VAL 94 N -0.81 2.89 -0.46 -1.59 1.01 0.88 -4.95 120.40 117.38 3gkn s VAL 94 Ca 0.21 0.84 -0.10 0.00 0.00 0.00 0.00 61.98 62.93 3gkn s VAL 94 Cb -0.15 -3.53 0.11 0.00 0.00 0.00 0.00 36.38 32.80 3gkn s VAL 94 CO -0.08 0.18 0.33 -0.55 0.00 0.00 0.00 175.10 174.97 3gkn s SER 95 N -0.23 5.72 -1.27 3.32 0.15 -1.25 -2.05 113.70 118.07 3gkn s SER 95 Ca 0.52 -1.78 -0.08 0.00 0.70 0.00 0.00 55.95 55.30 3gkn s SER 95 Cb -0.39 -2.02 0.17 0.00 -1.71 0.00 0.00 66.02 62.08 3gkn s SER 95 CO 0.47 -0.66 1.92 -0.67 1.20 0.00 0.00 173.24 175.51 3gkn n ASP 96 N 4.93 5.55 -0.21 5.45 2.03 0.37 -4.64 116.55 130.04 3gkn n ASP 96 Ca -0.09 -3.14 -0.01 0.00 0.52 0.00 0.00 54.79 52.07 3gkn n ASP 96 Cb 0.41 -1.45 0.05 0.00 -0.72 0.00 0.00 41.12 39.42 3gkn n ASP 96 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3gkn h GLY 97 N 7.40 0.36 -0.15 0.27 0.00 -1.78 -0.55 103.07 108.62 3gkn h GLY 97 Ca 0.42 0.24 0.00 0.00 0.00 0.00 0.00 47.33 48.00 3gkn h GLY 97 CO 1.59 -0.24 0.00 2.09 0.00 0.00 0.00 176.54 179.99 3gkn n ASP 98 N -5.43 1.00 -1.81 0.19 3.85 -1.26 -4.92 116.55 108.16 3gkn n ASP 98 Ca 0.07 -1.49 -0.19 0.00 -0.71 0.00 0.00 54.79 52.47 3gkn n ASP 98 Cb 0.33 -0.04 -0.06 0.00 -1.35 0.00 0.00 41.12 40.00 3gkn n ASP 98 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3gkn n GLU 99 N -0.16 -1.54 -0.24 0.11 1.02 -0.21 -4.88 120.64 114.74 3gkn n GLU 99 Ca 0.17 1.04 -0.06 0.00 -0.02 0.00 0.00 57.16 58.29 3gkn n GLU 99 Cb 0.24 -5.48 0.04 0.00 -0.02 0.00 0.00 31.44 26.22 3gkn n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gkn h ALA 100 N 0.46 0.87 -0.34 0.62 0.00 -1.91 -0.47 119.26 118.49 3gkn h ALA 100 Ca -0.40 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 3gkn h ALA 100 Cb 1.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3gkn h ALA 100 CO 0.55 0.45 -0.29 1.25 0.00 0.00 0.00 179.25 181.21 3gkn h LEU 101 N 0.94 0.84 -0.53 0.00 5.85 -1.91 -2.28 115.31 118.22 3gkn h LEU 101 Ca 0.23 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3gkn h LEU 101 Cb 0.15 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3gkn h LEU 101 CO -0.03 1.12 0.35 0.00 -0.34 0.00 0.00 178.44 179.55 3gkn h ARG 103 N 0.72 0.76 -0.64 0.00 3.08 -1.04 -1.62 114.38 115.64 3gkn h ARG 103 Ca 0.20 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3gkn h ARG 103 Cb -0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3gkn h ARG 103 CO -0.04 0.75 0.35 0.00 -1.07 0.00 0.00 179.97 179.96 3gkn h ALA 104 N 1.31 1.40 -0.11 0.04 0.00 -0.82 -0.86 119.26 120.23 3gkn h ALA 104 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gkn h ALA 104 Cb 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3gkn h ALA 104 CO 0.01 0.49 0.00 1.19 0.00 0.00 0.00 179.25 180.95 3gkn n PHE 105 N -4.38 0.13 -3.70 0.00 3.01 -0.91 -4.84 117.46 106.77 3gkn n PHE 105 Ca 0.06 -0.06 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 3gkn n PHE 105 Cb 0.10 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.63 3gkn n PHE 105 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3gkn n ASP 106 N 0.28 -5.36 -0.75 4.37 2.03 -0.33 -4.90 116.55 111.89 3gkn n ASP 106 Ca 0.17 -0.64 0.12 0.00 0.52 0.00 0.00 54.79 54.97 3gkn n ASP 106 Cb 0.34 -4.62 0.15 0.00 -0.72 0.00 0.00 41.12 36.27 3gkn n ASP 106 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3gkn n VAL 107 N -4.82 0.00 -2.95 5.18 0.24 -0.69 -4.82 118.33 110.47 3gkn n VAL 107 Ca -0.01 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.34 61.47 3gkn n VAL 107 Cb 0.56 1.26 -0.05 0.00 -1.47 0.00 0.00 33.84 34.13 3gkn n VAL 107 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3gkn s ILE 108 N -2.14 4.69 0.32 1.34 -1.09 -1.26 -1.01 121.20 122.05 3gkn s ILE 108 Ca 0.27 0.72 0.10 0.00 -2.23 0.00 0.00 60.65 59.51 3gkn s ILE 108 Cb 0.20 -4.26 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 3gkn s ILE 108 CO 0.38 -0.55 -0.06 -0.54 -1.23 0.00 0.00 174.94 172.94 3gkn s LYS 109 N 3.20 1.97 0.02 2.79 -0.14 0.18 -4.88 119.74 122.88 3gkn s LYS 109 Ca 0.31 -1.74 0.07 0.00 -1.36 0.00 0.00 55.97 53.25 3gkn s LYS 109 Cb -0.13 -1.88 -0.03 0.00 -1.68 0.00 0.00 37.83 34.11 3gkn s LYS 109 CO 0.19 0.21 -0.20 -1.83 -0.76 0.00 0.00 175.35 172.97 3gkn s GLU 110 N -3.65 2.12 -0.00 1.68 -1.05 -1.26 -0.83 118.70 115.71 3gkn s GLU 110 Ca 0.33 -0.94 -0.05 0.00 -0.15 0.00 0.00 54.97 54.16 3gkn s GLU 110 Cb -0.01 -2.17 -0.00 0.00 -0.44 0.00 0.00 34.13 31.50 3gkn s GLU 110 CO 0.18 0.55 0.10 -1.59 0.95 0.00 0.00 175.26 175.45 3gkn s LYS 111 N -1.16 0.39 -0.58 -4.83 -2.85 -0.84 -4.94 119.74 104.93 3gkn s LYS 111 Ca 0.13 -0.36 -0.27 0.00 -1.00 0.00 0.00 55.97 54.47 3gkn s LYS 111 Cb -0.10 0.16 0.03 0.00 -2.06 0.00 0.00 37.83 35.86 3gkn s LYS 111 CO 0.03 -0.08 1.11 1.21 0.10 0.00 0.00 175.35 177.72 3gkn s ASN 112 N -1.17 6.40 -0.31 0.03 3.84 -1.26 -1.01 114.94 121.46 3gkn s ASN 112 Ca -0.13 -0.07 -0.07 0.00 0.21 0.00 0.00 52.86 52.81 3gkn s ASN 112 Cb -0.07 -2.51 0.02 0.00 -0.55 0.00 0.00 41.25 38.13 3gkn s ASN 112 CO 0.01 -1.41 0.08 -0.04 -2.79 0.00 0.00 177.10 172.95 3gkn s MET 113 N 4.64 2.94 -1.29 0.43 -1.94 0.86 -4.59 119.30 120.35 3gkn s MET 113 Ca 0.38 -0.96 -0.06 0.00 -1.71 0.00 0.00 55.69 53.35 3gkn s MET 113 Cb -0.09 -3.39 0.04 0.00 2.01 0.00 0.00 34.83 33.40 3gkn s MET 113 CO 0.23 -0.51 0.37 0.66 -0.01 0.00 0.00 175.02 175.76 3gkn n TYR 114 N 4.84 -1.71 0.00 -0.03 4.02 -1.26 -1.18 117.16 121.84 3gkn n TYR 114 Ca -0.14 0.34 0.00 0.00 -0.01 0.00 0.00 57.90 58.09 3gkn n TYR 114 Cb 0.47 -3.24 0.00 0.00 -0.02 0.00 0.00 39.34 36.55 3gkn n TYR 114 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gkn n GLY 115 N -1.14 3.43 3.78 2.72 0.00 -1.26 -5.06 105.19 107.65 3gkn n GLY 115 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3gkn n GLY 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gkn s LYS 116 N -0.94 3.43 -0.34 1.61 2.20 -0.33 -5.04 119.74 120.33 3gkn s LYS 116 Ca 0.00 -0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.07 3gkn s LYS 116 Cb 0.00 -3.09 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 3gkn s LYS 116 CO 0.00 0.66 1.20 -0.65 -0.36 0.00 0.00 175.35 176.20 3gkn s GLN 117 N -0.70 3.92 -0.14 4.03 -1.52 -1.26 -0.10 119.66 123.89 3gkn s GLN 117 Ca 0.12 1.07 -0.01 0.00 -1.95 0.00 0.00 55.36 54.60 3gkn s GLN 117 Cb -0.12 -3.84 -0.01 0.00 -0.22 0.00 0.00 33.01 28.82 3gkn s GLN 117 CO 0.03 -1.11 -0.11 0.08 -0.25 0.00 0.00 175.29 173.93 3gkn s VAL 118 N 4.19 3.16 0.14 1.09 1.01 -0.18 -4.92 120.40 124.88 3gkn s VAL 118 Ca 0.52 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 3gkn s VAL 118 Cb -0.14 -2.35 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 3gkn s VAL 118 CO 0.22 0.51 0.62 -0.76 0.00 0.00 0.00 175.10 175.69 3gkn s LEU 119 N 0.49 4.43 0.17 3.92 1.43 -1.26 -1.98 118.68 125.87 3gkn s LEU 119 Ca -0.08 1.28 -0.24 0.00 -1.03 0.00 0.00 54.13 54.06 3gkn s LEU 119 Cb -0.15 -3.23 0.06 0.00 0.03 0.00 0.00 46.19 42.89 3gkn s LEU 119 CO 0.04 0.15 0.85 -0.83 0.23 0.00 0.00 176.35 176.79 3gkn s GLY 120 N -1.45 -0.27 -0.06 -3.19 0.00 -0.01 -4.96 107.32 97.38 3gkn s GLY 120 Ca 0.36 0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.96 3gkn s GLY 120 CO 0.20 0.04 1.00 -0.42 0.00 0.00 0.00 173.10 173.93 3gkn s ILE 121 N -3.48 4.80 -0.25 0.90 1.01 -1.26 -0.65 121.20 122.27 3gkn s ILE 121 Ca 0.10 2.04 -0.14 0.00 0.00 0.00 0.00 60.65 62.64 3gkn s ILE 121 Cb -0.03 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 3gkn s ILE 121 CO 0.00 0.06 0.34 -0.70 0.00 0.00 0.00 174.94 174.64 3gkn s GLU 122 N 1.62 4.06 -0.22 2.79 2.12 -0.18 -4.35 118.70 124.54 3gkn s GLU 122 Ca 0.50 0.01 -0.37 0.00 0.36 0.00 0.00 54.97 55.47 3gkn s GLU 122 Cb -0.20 -3.61 -0.14 0.00 0.26 0.00 0.00 34.13 30.45 3gkn s GLU 122 CO 0.22 -0.16 1.85 -2.13 -0.54 0.00 0.00 175.26 174.51 3gkn n ARG 123 N 4.93 1.52 -3.84 4.30 0.63 -1.26 -4.77 116.66 118.17 3gkn n ARG 123 Ca -0.10 0.54 -0.11 0.00 -0.92 0.00 0.00 57.85 57.27 3gkn n ARG 123 Cb 0.51 -2.35 -0.08 0.00 0.45 0.00 0.00 32.46 30.99 3gkn n ARG 123 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3gkn s SER 124 N 4.24 0.02 0.01 6.15 0.01 -1.00 -1.45 113.70 121.68 3gkn s SER 124 Ca 0.98 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.90 3gkn s SER 124 Cb -0.91 0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.61 3gkn s SER 124 CO 0.59 -0.56 -0.05 -0.89 0.41 0.00 0.00 173.24 172.74 3gkn s THR 125 N -2.55 0.34 -0.00 1.44 2.01 0.56 0.19 115.64 117.62 3gkn s THR 125 Ca -0.05 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.47 3gkn s THR 125 Cb -0.01 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.14 3gkn s THR 125 CO -0.04 -0.12 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.33 3gkn s PHE 126 N -0.61 0.76 -0.26 4.92 0.40 0.20 -0.35 117.98 123.04 3gkn s PHE 126 Ca -0.04 -0.15 -0.06 0.00 -0.60 0.00 0.00 56.93 56.09 3gkn s PHE 126 Cb -0.05 -0.48 -0.00 0.00 0.51 0.00 0.00 43.02 43.00 3gkn s PHE 126 CO -0.00 -0.01 0.03 -1.17 0.70 0.00 0.00 175.22 174.77 3gkn s LEU 127 N -0.23 3.47 -0.09 -0.37 2.96 0.01 -0.93 118.68 123.50 3gkn s LEU 127 Ca 0.03 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.36 3gkn s LEU 127 Cb -0.03 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 3gkn s LEU 127 CO -0.00 -0.11 0.02 -0.76 -1.32 0.00 0.00 176.35 174.18 3gkn s LEU 128 N 1.50 3.70 0.93 -0.68 1.02 0.82 -0.66 118.68 125.31 3gkn s LEU 128 Ca 0.04 0.19 -0.13 0.00 0.02 0.00 0.00 54.13 54.25 3gkn s LEU 128 Cb -0.16 -1.86 0.15 0.00 0.02 0.00 0.00 46.19 44.35 3gkn s LEU 128 CO 0.01 0.38 1.14 -0.94 0.02 0.00 0.00 176.35 176.96 3gkn s SER 129 N -0.90 3.30 0.08 2.29 1.04 0.10 -0.92 113.70 118.69 3gkn s SER 129 Ca 0.13 0.92 0.09 0.00 0.48 0.00 0.00 55.95 57.58 3gkn s SER 129 Cb -0.11 -1.46 0.45 0.00 0.10 0.00 0.00 66.02 64.99 3gkn s SER 129 CO 0.03 -2.68 1.29 -2.65 0.98 0.00 0.00 173.24 170.21 3gkn n PRO 130 N -3.84 0.04 -0.10 4.02 -0.02 -1.24 -1.03 135.00 132.83 3gkn n PRO 130 Ca 0.07 0.46 0.10 0.00 -2.02 0.00 0.00 63.50 62.12 3gkn n PRO 130 Cb 0.59 -1.62 0.14 0.00 -0.02 0.00 0.00 33.50 32.60 3gkn n PRO 130 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gkn n GLU 131 N -1.71 2.12 -0.54 -0.52 4.71 -1.26 -1.15 120.64 122.28 3gkn n GLU 131 Ca 0.01 -1.96 0.00 0.00 -0.01 0.00 0.00 57.16 55.20 3gkn n GLU 131 Cb 0.06 -1.42 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 3gkn n GLU 131 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gkn n GLY 132 N 1.21 0.74 3.81 0.62 0.00 -0.20 -5.06 105.19 106.31 3gkn n GLY 132 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3gkn n GLY 132 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gkn s GLN 133 N -0.46 4.34 -0.64 1.61 -0.21 -1.26 -4.76 119.66 118.28 3gkn s GLN 133 Ca 0.00 0.99 -0.27 0.00 0.02 0.00 0.00 55.36 56.10 3gkn s GLN 133 Cb 0.00 -2.88 0.03 0.00 1.00 0.00 0.00 33.01 31.16 3gkn s GLN 133 CO 0.00 0.38 1.19 0.08 -2.12 0.00 0.00 175.29 174.82 3gkn s VAL 134 N -1.52 3.96 0.05 1.09 1.01 -1.26 -0.72 120.40 123.01 3gkn s VAL 134 Ca 0.44 0.57 -0.07 0.00 0.00 0.00 0.00 61.98 62.92 3gkn s VAL 134 Cb -0.17 -4.78 -0.30 0.00 0.00 0.00 0.00 36.38 31.12 3gkn s VAL 134 CO 0.22 -1.53 1.06 0.58 0.00 0.00 0.00 175.10 175.43 3gkn h VAL 135 N 6.08 1.39 -2.33 2.92 2.07 -1.25 -3.46 116.25 121.68 3gkn h VAL 135 Ca -0.26 -2.94 -0.08 0.00 0.82 0.00 0.00 66.70 64.24 3gkn h VAL 135 Cb 1.06 2.94 -0.19 0.00 -1.52 0.00 0.00 31.29 33.57 3gkn h VAL 135 CO 1.21 0.86 0.04 -1.58 0.02 0.00 0.00 177.57 178.13 3gkn s GLN 136 N -2.64 0.93 0.05 1.57 0.74 -1.15 -5.01 119.66 114.15 3gkn s GLN 136 Ca -0.06 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.49 3gkn s GLN 136 Cb 0.06 0.43 -0.03 0.00 1.10 0.00 0.00 33.01 34.57 3gkn s GLN 136 CO 0.89 -0.28 -0.04 0.00 -0.55 0.00 0.00 175.29 175.31 3gkn s ALA 137 N -1.19 0.49 -0.07 1.58 0.00 -1.26 -0.81 121.76 120.50 3gkn s ALA 137 Ca -0.11 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 3gkn s ALA 137 Cb -0.02 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.31 3gkn s ALA 137 CO 0.08 -0.23 -0.01 -1.58 0.00 0.00 0.00 175.76 174.02 3gkn s TRP 138 N -2.73 0.73 0.23 0.00 0.51 0.53 -4.99 118.94 113.23 3gkn s TRP 138 Ca -0.02 -0.21 0.12 0.00 -2.12 0.00 0.00 56.10 53.87 3gkn s TRP 138 Cb -0.01 -0.79 -0.05 0.00 -0.81 0.00 0.00 33.47 31.82 3gkn s TRP 138 CO -0.05 -0.31 -0.21 1.03 -0.51 0.00 0.00 176.95 176.90 3gkn s ARG 139 N 1.72 1.63 -1.34 4.98 0.52 -1.26 -0.33 118.95 124.88 3gkn s ARG 139 Ca 0.01 -1.62 -0.02 0.00 -0.52 0.00 0.00 55.73 53.58 3gkn s ARG 139 Cb -0.13 -1.83 0.01 0.00 0.52 0.00 0.00 34.95 33.52 3gkn s ARG 139 CO -0.04 0.37 0.78 1.63 0.02 0.00 0.00 175.30 178.05 3gkn n LYS 140 N -0.18 -5.22 -1.79 3.54 5.02 -0.71 -4.86 118.16 113.96 3gkn n LYS 140 Ca -0.09 0.64 -0.42 0.00 -2.02 0.00 0.00 58.31 56.43 3gkn n LYS 140 Cb 0.58 -5.29 -0.02 0.00 -0.02 0.00 0.00 35.03 30.28 3gkn n LYS 140 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gkn s VAL 141 N -3.58 2.11 -0.30 -0.18 1.01 -0.53 -5.00 120.40 113.93 3gkn s VAL 141 Ca 0.12 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 3gkn s VAL 141 Cb -0.06 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3gkn s VAL 141 CO 0.81 0.01 0.17 -0.54 0.00 0.00 0.00 175.10 175.55 3gkn s LYS 142 N -0.38 3.62 0.24 2.72 1.02 -1.26 -4.91 119.74 120.79 3gkn s LYS 142 Ca 0.64 -0.53 -0.06 0.00 0.02 0.00 0.00 55.97 56.03 3gkn s LYS 142 Cb -0.47 -3.60 0.28 0.00 -0.52 0.00 0.00 37.83 33.52 3gkn s LYS 142 CO 0.46 -0.31 1.88 0.28 -0.92 0.00 0.00 175.35 176.75 3gkn h VAL 143 N 5.51 1.13 -1.83 3.17 2.07 -1.96 -3.36 116.25 120.98 3gkn h VAL 143 Ca -0.34 -0.38 -0.63 0.00 0.82 0.00 0.00 66.70 66.18 3gkn h VAL 143 Cb 1.17 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3gkn h VAL 143 CO 0.59 0.20 1.22 0.00 0.02 0.00 0.00 177.57 179.60 3gkn n ALA 144 N -2.35 1.03 -0.94 1.67 0.00 -1.26 -1.08 120.51 117.59 3gkn n ALA 144 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3gkn n ALA 144 Cb 0.10 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 16.98 3gkn n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gkn n GLY 145 N 5.04 0.61 0.15 0.00 0.00 -1.26 -4.94 105.19 104.78 3gkn n GLY 145 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 3gkn n GLY 145 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3gkn h HIS 146 N 0.00 -0.25 -0.97 1.61 2.76 -1.26 -2.07 115.15 114.97 3gkn h HIS 146 Ca 0.00 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3gkn h HIS 146 Cb 0.10 0.08 -0.07 0.00 1.55 0.00 0.00 27.41 29.07 3gkn h HIS 146 CO 0.06 0.04 0.62 0.00 -1.30 0.00 0.00 177.93 177.35 3gkn h ALA 147 N 0.17 1.39 -0.62 5.26 0.00 -1.92 0.29 119.26 123.84 3gkn h ALA 147 Ca -0.03 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gkn h ALA 147 Cb 0.41 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3gkn h ALA 147 CO 0.05 0.33 0.41 -0.44 0.00 0.00 0.00 179.25 179.59 3gkn h ASP 148 N 1.07 0.69 -0.60 0.00 3.45 -1.90 -0.96 116.42 118.17 3gkn h ASP 148 Ca 0.44 -0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.79 3gkn h ASP 148 Cb 0.28 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.86 3gkn h ASP 148 CO -0.21 0.50 0.01 0.00 -1.57 0.00 0.00 179.24 177.97 3gkn h ALA 149 N 1.23 0.86 -0.54 3.45 0.00 -0.42 -1.45 119.26 122.40 3gkn h ALA 149 Ca 0.23 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3gkn h ALA 149 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3gkn h ALA 149 CO -0.06 0.67 0.02 0.28 0.00 0.00 0.00 179.25 180.16 3gkn h VAL 150 N 0.97 1.26 -0.61 0.00 2.07 -0.70 -1.37 116.25 117.87 3gkn h VAL 150 Ca 0.17 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 3gkn h VAL 150 Cb 0.55 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3gkn h VAL 150 CO 0.03 0.38 0.25 0.25 0.02 0.00 0.00 177.57 178.50 3gkn h LEU 151 N 0.82 0.84 -0.74 2.57 5.85 -0.99 -0.09 115.31 123.55 3gkn h LEU 151 Ca 0.16 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3gkn h LEU 151 Cb 0.50 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3gkn h LEU 151 CO 0.02 0.77 0.43 0.00 -0.34 0.00 0.00 178.44 179.32 3gkn h ALA 152 N 1.10 0.95 -0.37 1.25 0.00 -1.06 -0.26 119.26 120.87 3gkn h ALA 152 Ca 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3gkn h ALA 152 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3gkn h ALA 152 CO -0.02 0.45 0.12 0.00 0.00 0.00 0.00 179.25 179.79 3gkn h ALA 153 N 1.22 0.48 -0.13 0.00 0.00 -0.85 -1.93 119.26 118.05 3gkn h ALA 153 Ca 0.26 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3gkn h ALA 153 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3gkn h ALA 153 CO -0.05 0.12 0.00 1.25 0.00 0.00 0.00 179.25 180.58 3gkn h LEU 154 N 0.44 -0.05 -1.07 0.00 5.85 -0.58 -1.28 115.31 118.63 3gkn h LEU 154 Ca 0.12 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3gkn h LEU 154 Cb 0.25 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 3gkn h LEU 154 CO -0.00 -0.00 0.63 0.11 -0.34 0.00 0.00 178.44 178.83 3gkn h LYS 155 N 0.04 1.11 -0.15 1.25 1.57 -0.94 0.13 116.57 119.58 3gkn h LYS 155 Ca 0.06 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3gkn h LYS 155 Cb 0.07 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3gkn h LYS 155 CO -0.10 0.74 0.03 0.00 -0.57 0.00 0.00 179.45 179.55 3gkn h ALA 156 N 1.47 0.20 -0.25 3.86 0.00 -0.89 -3.08 119.26 120.58 3gkn h ALA 156 Ca 0.41 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 3gkn h ALA 156 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gkn h ALA 156 CO -0.15 -0.15 -0.43 0.45 0.00 0.00 0.00 179.25 178.97 3gkn h HIS 157 N 0.04 0.75 -0.13 0.00 3.86 -0.79 -3.11 115.15 115.77 3gkn h HIS 157 Ca 0.05 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 3gkn h HIS 157 Cb 0.28 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3gkn h HIS 157 CO 0.01 0.95 0.00 0.00 0.86 0.00 0.00 177.93 179.75 3gkn n ALA 158 N -2.51 2.68 -0.65 2.45 0.00 0.41 -5.10 120.51 117.77 3gkn n ALA 158 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3gkn n ALA 158 Cb 0.54 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3gkn n ALA 158 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13