#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkn s THR 2 N 0.00 0.34 0.25 1.12 -4.23 -1.26 -5.18 115.64 106.69 3gkn s THR 2 Ca 0.00 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3gkn s THR 2 Cb 0.00 -2.13 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 3gkn s THR 2 CO 0.00 -0.42 0.23 1.51 -0.54 0.00 0.00 174.62 175.40 3gkn s ASP 3 N -3.12 0.65 0.13 3.99 3.84 -1.26 -5.16 116.67 115.75 3gkn s ASP 3 Ca 0.26 -1.47 -0.17 0.00 -0.00 0.00 0.00 52.55 51.17 3gkn s ASP 3 Cb 0.07 0.47 -0.07 0.00 -1.38 0.00 0.00 42.92 42.01 3gkn s ASP 3 CO 0.04 -0.97 0.58 0.00 -0.00 0.00 0.00 175.17 174.82 3gkn s ALA 4 N -3.84 3.56 0.66 2.11 0.00 -1.26 -5.07 121.76 117.92 3gkn s ALA 4 Ca 0.37 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 3gkn s ALA 4 Cb 0.04 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 3gkn s ALA 4 CO 0.17 0.42 1.06 0.14 0.00 0.00 0.00 175.76 177.55 3gkn s VAL 5 N -1.36 3.96 0.31 0.00 -7.23 -1.26 -5.00 120.40 109.82 3gkn s VAL 5 Ca 0.36 0.73 -0.29 0.00 -1.81 0.00 0.00 61.98 60.97 3gkn s VAL 5 Cb -0.17 -3.39 -0.10 0.00 0.56 0.00 0.00 36.38 33.28 3gkn s VAL 5 CO 0.19 -0.74 1.22 -0.22 -0.31 0.00 0.00 175.10 175.24 3gkn s LEU 6 N -5.18 4.48 -0.25 1.32 2.96 -1.26 -5.02 118.68 115.73 3gkn s LEU 6 Ca 0.60 2.50 0.01 0.00 -0.22 0.00 0.00 54.13 57.02 3gkn s LEU 6 Cb -0.15 -3.64 0.07 0.00 0.50 0.00 0.00 46.19 42.97 3gkn s LEU 6 CO 0.49 -0.36 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.41 3gkn s GLU 7 N -1.61 1.68 0.31 1.98 2.12 -1.26 -4.98 118.70 116.94 3gkn s GLU 7 Ca 0.47 -1.14 -0.27 0.00 0.36 0.00 0.00 54.97 54.40 3gkn s GLU 7 Cb -0.36 -2.67 -0.10 0.00 0.26 0.00 0.00 34.13 31.26 3gkn s GLU 7 CO 0.47 -0.64 0.95 -0.51 -0.54 0.00 0.00 175.26 174.99 3gkn s LEU 8 N 1.31 4.38 0.54 2.70 1.43 -1.26 -5.02 118.68 122.76 3gkn s LEU 8 Ca -0.04 1.87 -0.21 0.00 -1.03 0.00 0.00 54.13 54.72 3gkn s LEU 8 Cb -0.19 -3.95 -0.05 0.00 0.03 0.00 0.00 46.19 42.02 3gkn s LEU 8 CO -0.07 -0.05 1.24 -2.84 0.23 0.00 0.00 176.35 174.86 3gkn s PRO 9 N -1.93 3.26 0.56 1.29 0.02 -1.26 -4.88 135.00 132.06 3gkn s PRO 9 Ca 0.49 1.92 0.24 0.00 0.02 0.00 0.00 61.00 63.68 3gkn s PRO 9 Cb -0.20 -2.17 1.60 0.00 0.02 0.00 0.00 34.50 33.75 3gkn s PRO 9 CO 0.25 -1.00 2.21 0.00 -0.33 0.00 0.00 177.00 178.13 3gkn h ALA 10 N 1.40 1.74 0.00 -1.55 0.00 -2.01 -1.77 119.26 117.07 3gkn h ALA 10 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gkn h ALA 10 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3gkn h ALA 10 CO 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3gkn h ALA 11 N 1.99 1.00 -0.53 0.00 0.00 -2.03 -3.21 119.26 116.48 3gkn h ALA 11 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3gkn h ALA 11 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3gkn h ALA 11 CO -0.00 0.00 0.28 1.15 0.00 0.00 0.00 179.25 180.68 3gkn h THR 12 N 0.00 1.16 -0.80 0.00 2.02 -1.68 -3.17 112.91 110.45 3gkn h THR 12 Ca 0.00 -0.42 0.19 0.00 0.77 0.00 0.00 66.41 66.95 3gkn h THR 12 Cb 0.38 0.46 -0.14 0.00 -1.74 0.00 0.00 68.15 67.11 3gkn h THR 12 CO 0.00 0.18 0.04 0.15 0.37 0.00 0.00 175.52 176.26 3gkn h PHE 13 N 0.73 0.00 0.00 3.16 3.04 -1.76 -2.90 116.94 119.21 3gkn h PHE 13 Ca 0.19 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.19 3gkn h PHE 13 Cb 0.03 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.66 3gkn h PHE 13 CO 0.00 -0.25 -0.16 -0.40 -2.02 0.00 0.00 178.31 175.48 3gkn n ASP 14 N -5.34 2.10 -4.70 0.41 3.85 -1.22 -1.65 116.55 109.99 3gkn n ASP 14 Ca 0.16 -3.27 -0.43 0.00 -0.71 0.00 0.00 54.79 50.53 3gkn n ASP 14 Cb 0.53 -0.45 -0.03 0.00 -1.35 0.00 0.00 41.12 39.81 3gkn n ASP 14 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3gkn n LEU 15 N -1.30 3.72 -4.68 -2.12 4.77 -1.09 -4.89 117.00 111.41 3gkn n LEU 15 Ca 0.16 1.06 -0.42 0.00 -0.03 0.00 0.00 56.01 56.78 3gkn n LEU 15 Cb 0.66 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 3gkn n LEU 15 CO -0.00 0.04 1.04 -2.16 -1.33 0.00 0.00 177.39 174.97 3gkn s PRO 16 N 1.21 4.30 -0.34 3.23 0.04 -1.26 -4.52 135.00 137.65 3gkn s PRO 16 Ca 0.77 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 63.44 3gkn s PRO 16 Cb -0.56 -3.63 -0.01 0.00 0.04 0.00 0.00 34.50 30.34 3gkn s PRO 16 CO 0.34 -0.55 0.23 -0.51 0.04 0.00 0.00 177.00 176.55 3gkn s LEU 17 N 2.63 4.53 -0.07 -3.56 1.43 0.74 -4.94 118.68 119.45 3gkn s LEU 17 Ca 0.58 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 3gkn s LEU 17 Cb -0.26 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 3gkn s LEU 17 CO 0.22 -0.26 1.47 -0.44 0.23 0.00 0.00 176.35 177.56 3gkn s SER 18 N 1.69 6.80 0.00 2.29 0.01 -1.26 -1.70 113.70 121.53 3gkn s SER 18 Ca 0.06 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.37 3gkn s SER 18 Cb -0.18 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.51 3gkn s SER 18 CO 0.10 -0.82 0.00 0.18 0.41 0.00 0.00 173.24 173.11 3gkn n LEU 19 N 6.43 0.00 -4.93 2.44 4.77 -0.15 -0.48 117.00 125.08 3gkn n LEU 19 Ca 0.15 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.88 3gkn n LEU 19 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3gkn n LEU 19 CO 0.59 0.00 0.31 -0.94 -1.33 0.00 0.00 177.39 176.02 3gkn s SER 20 N 0.15 6.12 -1.41 -1.43 1.04 -1.26 -4.44 113.70 112.47 3gkn s SER 20 Ca 0.00 0.57 -0.09 0.00 0.48 0.00 0.00 55.95 56.90 3gkn s SER 20 Cb 0.00 -1.95 0.04 0.00 0.10 0.00 0.00 66.02 64.21 3gkn s SER 20 CO 0.00 -0.54 1.05 0.61 0.98 0.00 0.00 173.24 175.34 3gkn n GLY 21 N -2.06 -0.49 2.39 7.32 0.00 -1.26 -2.26 105.19 108.84 3gkn n GLY 21 Ca -0.01 0.21 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.78 0.05 3.72 -0.02 0.00 -1.26 -5.00 105.19 100.90 3gkn n GLY 22 Ca -0.03 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 3gkn n GLY 22 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gkn s THR 23 N -2.88 3.52 0.22 2.61 -1.32 -0.96 -5.03 115.64 111.80 3gkn s THR 23 Ca 0.00 -1.72 -0.14 0.00 -1.21 0.00 0.00 61.69 58.61 3gkn s THR 23 Cb 0.00 -3.01 0.01 0.00 -1.51 0.00 0.00 72.50 67.99 3gkn s THR 23 CO 0.00 -0.30 0.48 0.00 -2.21 0.00 0.00 174.62 172.58 3gkn s GLN 24 N -3.77 1.43 0.20 7.08 -2.07 -1.26 -0.98 119.66 120.30 3gkn s GLN 24 Ca 0.34 -1.08 0.02 0.00 -1.82 0.00 0.00 55.36 52.82 3gkn s GLN 24 Cb -0.05 0.48 -0.01 0.00 -1.09 0.00 0.00 33.01 32.34 3gkn s GLN 24 CO 0.22 -0.60 0.22 -2.37 -1.32 0.00 0.00 175.29 171.45 3gkn n THR 25 N -0.34 0.00 -3.88 3.63 5.66 -0.69 -4.93 114.28 113.73 3gkn n THR 25 Ca -0.06 -1.29 -0.09 0.00 -3.05 0.00 0.00 64.05 59.56 3gkn n THR 25 Cb 0.62 0.70 -0.07 0.00 -1.55 0.00 0.00 70.33 70.03 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 -2.75 0.11 0.22 1.09 -4.23 -1.26 -0.19 115.64 108.63 3gkn s THR 26 Ca 0.21 -1.21 -0.06 0.00 -1.18 0.00 0.00 61.69 59.46 3gkn s THR 26 Cb 0.00 -1.51 0.09 0.00 1.34 0.00 0.00 72.50 72.43 3gkn s THR 26 CO 0.15 -0.49 1.70 -0.07 -0.54 0.00 0.00 174.62 175.37 3gkn h LEU 27 N 2.64 0.93 -0.92 4.79 3.38 -1.79 -2.62 115.31 121.71 3gkn h LEU 27 Ca -0.33 -0.24 0.19 0.00 0.09 0.00 0.00 57.88 57.59 3gkn h LEU 27 Cb 1.21 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 3gkn h LEU 27 CO 0.52 0.97 0.49 -0.09 0.09 0.00 0.00 178.44 180.43 3gkn h ARG 28 N 0.89 0.57 0.00 1.13 2.43 -1.64 0.13 114.38 117.89 3gkn h ARG 28 Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3gkn h ARG 28 Cb 0.49 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3gkn h ARG 28 CO 0.02 0.38 0.00 0.00 -1.51 0.00 0.00 179.97 178.86 3gkn h ALA 29 N 1.64 1.00 -0.21 2.80 0.00 -1.76 -2.28 119.26 120.45 3gkn h ALA 29 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3gkn h ALA 29 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3gkn h ALA 29 CO -0.43 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.54 3gkn n HIS 30 N -2.64 0.27 -1.76 0.00 8.25 0.44 -4.95 115.22 114.83 3gkn n HIS 30 Ca -0.01 -0.13 -0.41 0.00 -0.26 0.00 0.00 57.72 56.91 3gkn n HIS 30 Cb 0.11 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.23 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 0.80 2.12 0.00 -1.41 0.00 -0.86 -2.72 120.51 118.44 3gkn n ALA 31 Ca 0.17 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3gkn n ALA 31 Cb 0.45 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 0.54 1.15 3.07 0.00 0.00 0.17 -5.05 105.19 105.08 3gkn n GLY 32 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.25 0.29 0.61 1.61 3.76 -1.10 -4.82 115.29 113.39 3gkn s HIS 33 Ca 0.00 -0.63 -0.18 0.00 -0.15 0.00 0.00 55.06 54.10 3gkn s HIS 33 Cb 0.00 -0.21 -0.02 0.00 1.11 0.00 0.00 32.58 33.46 3gkn s HIS 33 CO 0.00 -0.32 1.18 -1.58 -0.85 0.00 0.00 174.74 173.17 3gkn s TRP 34 N -2.59 2.43 -0.02 1.40 0.52 -1.26 -3.79 118.94 115.63 3gkn s TRP 34 Ca -0.05 1.54 0.00 0.00 0.02 0.00 0.00 56.10 57.61 3gkn s TRP 34 Cb -0.01 -3.40 0.02 0.00 -1.15 0.00 0.00 33.47 28.93 3gkn s TRP 34 CO -0.05 -2.07 0.01 -1.17 0.02 0.00 0.00 176.95 173.69 3gkn s LEU 35 N -4.30 1.30 -0.21 2.99 2.96 -0.05 -1.33 118.68 120.04 3gkn s LEU 35 Ca 0.74 -0.00 -0.04 0.00 -0.22 0.00 0.00 54.13 54.61 3gkn s LEU 35 Cb -0.27 -0.14 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 3gkn s LEU 35 CO 0.35 -0.09 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.57 3gkn s VAL 36 N 0.83 3.54 -0.26 1.68 1.01 -0.10 -0.27 120.40 126.83 3gkn s VAL 36 Ca -0.08 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3gkn s VAL 36 Cb -0.11 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.71 3gkn s VAL 36 CO -0.02 0.43 -0.05 -0.63 0.00 0.00 0.00 175.10 174.83 3gkn s ILE 37 N 1.22 2.85 -0.14 2.22 1.01 -0.36 -1.03 121.20 126.97 3gkn s ILE 37 Ca 0.03 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 3gkn s ILE 37 Cb -0.14 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 3gkn s ILE 37 CO -0.01 0.12 -0.12 -0.72 0.00 0.00 0.00 174.94 174.22 3gkn s TYR 38 N 1.30 2.84 -0.17 3.97 1.13 -0.37 -0.76 117.35 125.28 3gkn s TYR 38 Ca -0.01 -0.68 -0.08 0.00 -1.41 0.00 0.00 57.07 54.88 3gkn s TYR 38 Cb -0.17 -1.88 -0.04 0.00 -1.10 0.00 0.00 41.96 38.76 3gkn s TYR 38 CO -0.04 -0.25 0.11 -0.06 -2.51 0.00 0.00 175.55 172.80 3gkn s PHE 39 N 0.49 3.42 0.06 -3.49 0.08 0.11 -0.26 117.98 118.39 3gkn s PHE 39 Ca -0.09 0.33 0.05 0.00 0.12 0.00 0.00 56.93 57.35 3gkn s PHE 39 Cb -0.16 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 3gkn s PHE 39 CO 0.04 0.39 -0.14 1.52 -0.10 0.00 0.00 175.22 176.93 3gkn s TYR 40 N -0.06 1.23 0.15 0.36 1.13 -0.11 -2.58 117.35 117.47 3gkn s TYR 40 Ca 0.09 -0.43 -0.18 0.00 -1.41 0.00 0.00 57.07 55.14 3gkn s TYR 40 Cb -0.12 -0.70 0.04 0.00 -1.10 0.00 0.00 41.96 40.08 3gkn s TYR 40 CO 0.00 0.06 1.71 -1.35 -2.51 0.00 0.00 175.55 173.46 3gkn h PRO 41 N 4.44 0.09 -2.31 -3.49 0.11 -1.86 -3.39 132.00 125.58 3gkn h PRO 41 Ca -0.40 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.63 3gkn h PRO 41 Cb 1.19 -0.02 -0.22 0.00 0.11 0.00 0.00 31.00 32.06 3gkn h PRO 41 CO 0.41 0.06 -0.02 0.21 -0.21 0.00 0.00 178.00 178.45 3gkn s LYS 42 N -6.19 0.71 0.78 1.05 2.20 -1.26 -4.68 119.74 112.35 3gkn s LYS 42 Ca -0.13 0.77 -0.14 0.00 -0.36 0.00 0.00 55.97 56.11 3gkn s LYS 42 Cb 0.12 0.34 0.07 0.00 -1.51 0.00 0.00 37.83 36.85 3gkn s LYS 42 CO 0.70 -0.10 1.21 -0.51 -0.36 0.00 0.00 175.35 176.29 3gkn s ASP 43 N 0.20 3.80 -1.43 1.43 -0.00 -1.26 -3.81 116.67 115.59 3gkn s ASP 43 Ca -0.01 2.38 -0.08 0.00 -0.00 0.00 0.00 52.55 54.84 3gkn s ASP 43 Cb -0.04 -2.59 0.04 0.00 -0.00 0.00 0.00 42.92 40.34 3gkn s ASP 43 CO 0.01 -2.53 0.63 -1.20 -0.00 0.00 0.00 175.17 172.09 3gkn n SER 44 N -3.08 -4.96 -4.66 0.27 7.64 -1.26 -5.01 113.62 102.56 3gkn n SER 44 Ca 0.14 -0.40 -0.23 0.00 1.01 0.00 0.00 58.87 59.38 3gkn n SER 44 Cb 0.50 -4.03 -0.07 0.00 -1.01 0.00 0.00 64.21 59.61 3gkn n SER 44 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gkn s THR 45 N -3.10 3.54 0.21 0.44 -4.23 -1.25 -4.99 115.64 106.27 3gkn s THR 45 Ca 0.40 -1.85 -0.09 0.00 -1.18 0.00 0.00 61.69 58.98 3gkn s THR 45 Cb -0.20 -2.88 0.15 0.00 1.34 0.00 0.00 72.50 70.91 3gkn s THR 45 CO 0.50 -0.36 1.76 -0.65 -0.54 0.00 0.00 174.62 175.33 3gkn h PRO 46 N 1.92 0.47 -0.61 3.99 0.11 -1.94 -0.47 132.00 135.47 3gkn h PRO 46 Ca -0.45 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3gkn h PRO 46 Cb 1.25 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3gkn h PRO 46 CO 0.60 0.31 0.13 0.78 -0.21 0.00 0.00 178.00 179.61 3gkn h GLY 47 N 0.49 1.06 1.14 -0.55 0.00 -1.96 0.25 103.07 103.50 3gkn h GLY 47 Ca 0.32 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 3gkn h GLY 47 CO -0.28 0.64 -0.10 0.00 0.00 0.00 0.00 176.54 176.80 3gkn h ALA 48 N 1.03 0.80 -0.12 3.60 0.00 -1.73 -1.34 119.26 121.51 3gkn h ALA 48 Ca 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3gkn h ALA 48 Cb 0.38 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3gkn h ALA 48 CO 0.01 0.67 -0.00 1.15 0.00 0.00 0.00 179.25 181.07 3gkn h THR 49 N 0.90 1.26 -0.34 0.00 2.02 -0.87 -1.62 112.91 114.26 3gkn h THR 49 Ca 0.14 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 3gkn h THR 49 Cb 0.66 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 3gkn h THR 49 CO 0.05 0.24 0.19 0.74 0.37 0.00 0.00 175.52 177.10 3gkn h THR 50 N -0.07 1.13 -0.49 3.16 2.02 -0.91 0.27 112.91 118.03 3gkn h THR 50 Ca 0.03 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3gkn h THR 50 Cb 0.37 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3gkn h THR 50 CO 0.01 0.13 0.31 -0.08 0.37 0.00 0.00 175.52 176.26 3gkn h GLU 51 N 0.42 0.66 -0.61 6.66 4.81 -1.24 0.81 114.58 126.10 3gkn h GLU 51 Ca 0.12 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3gkn h GLU 51 Cb 0.05 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3gkn h GLU 51 CO -0.02 0.46 0.18 0.78 -0.73 0.00 0.00 179.01 179.67 3gkn h GLY 52 N 0.66 1.03 1.96 1.92 0.00 -1.03 -2.02 103.07 105.59 3gkn h GLY 52 Ca 0.18 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 3gkn h GLY 52 CO -0.04 0.58 -0.49 1.41 0.00 0.00 0.00 176.54 178.00 3gkn h LEU 53 N 0.87 0.04 -0.65 3.11 3.38 -0.66 -1.17 115.31 120.23 3gkn h LEU 53 Ca 0.19 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3gkn h LEU 53 Cb 0.31 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3gkn h LEU 53 CO -0.00 0.53 -0.01 0.44 0.09 0.00 0.00 178.44 179.48 3gkn h ASP 54 N 0.03 1.02 0.03 -0.43 3.32 -0.50 -0.32 116.42 119.57 3gkn h ASP 54 Ca -0.00 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.65 3gkn h ASP 54 Cb 0.88 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3gkn h ASP 54 CO 0.07 1.08 -0.33 -0.26 -1.72 0.00 0.00 179.24 178.07 3gkn h PHE 55 N 0.95 0.50 -0.83 4.55 0.04 -1.00 -2.57 116.94 118.57 3gkn h PHE 55 Ca 0.17 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3gkn h PHE 55 Cb 0.56 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.56 3gkn h PHE 55 CO 0.04 0.72 0.48 -0.91 -0.60 0.00 0.00 178.31 178.04 3gkn h ASN 56 N 0.37 1.02 0.46 2.17 4.21 -0.68 0.15 115.58 123.29 3gkn h ASN 56 Ca 0.04 -0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.44 3gkn h ASN 56 Cb 0.77 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 37.70 3gkn h ASN 56 CO 0.06 0.80 -0.16 0.00 -1.29 0.00 0.00 177.43 176.85 3gkn h ALA 57 N 1.26 1.25 -0.02 -0.83 0.00 -0.69 -2.83 119.26 117.39 3gkn h ALA 57 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gkn h ALA 57 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gkn h ALA 57 CO -0.05 0.20 -0.00 1.28 0.00 0.00 0.00 179.25 180.67 3gkn n LEU 58 N -3.63 2.46 -0.31 0.00 4.77 -0.84 -4.61 117.00 114.83 3gkn n LEU 58 Ca -0.01 -1.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.05 3gkn n LEU 58 Cb 0.28 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.62 3gkn n LEU 58 CO 0.31 0.43 1.13 0.25 -1.33 0.00 0.00 177.39 178.18 3gkn h LEU 59 N 3.43 0.61 -1.19 2.23 7.12 -0.72 -0.08 115.31 126.71 3gkn h LEU 59 Ca 0.00 0.09 0.04 0.00 0.13 0.00 0.00 57.88 58.14 3gkn h LEU 59 Cb 0.73 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.80 3gkn h LEU 59 CO 0.00 0.25 0.56 -0.65 -0.13 0.00 0.00 178.44 178.47 3gkn h PRO 60 N 0.68 1.01 -0.14 5.25 0.11 -1.81 0.33 132.00 137.43 3gkn h PRO 60 Ca 0.49 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 66.33 3gkn h PRO 60 Cb 0.70 -0.23 0.01 0.00 0.11 0.00 0.00 31.00 31.59 3gkn h PRO 60 CO -0.36 0.67 -0.75 0.93 -0.21 0.00 0.00 178.00 178.28 3gkn h GLU 61 N 1.04 0.68 -0.62 1.05 5.08 -1.41 -1.29 114.58 119.11 3gkn h GLU 61 Ca 0.34 -0.55 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 3gkn h GLU 61 Cb 0.06 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3gkn h GLU 61 CO -0.11 1.16 0.09 0.74 -1.00 0.00 0.00 179.01 179.90 3gkn h PHE 62 N 0.47 1.10 -0.75 4.33 0.04 -0.55 -2.72 116.94 118.85 3gkn h PHE 62 Ca -0.04 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.54 3gkn h PHE 62 Cb 1.36 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 39.17 3gkn h PHE 62 CO 0.07 0.94 0.34 0.22 -0.60 0.00 0.00 178.31 179.29 3gkn h ASP 63 N 0.94 1.00 -0.67 2.17 3.58 -0.26 -1.09 116.42 122.09 3gkn h ASP 63 Ca 0.19 -0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.55 3gkn h ASP 63 Cb 0.44 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 3gkn h ASP 63 CO 0.01 0.87 0.44 0.50 -2.88 0.00 0.00 179.24 178.18 3gkn h LYS 64 N 1.06 0.66 -0.06 0.28 3.64 -1.03 0.26 116.57 121.39 3gkn h LYS 64 Ca 0.26 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3gkn h LYS 64 Cb 0.15 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3gkn h LYS 64 CO -0.03 0.44 0.00 0.00 -2.27 0.00 0.00 179.45 177.59 3gkn n ALA 65 N -2.46 2.58 -0.93 5.00 0.00 -0.72 -4.89 120.51 119.10 3gkn n ALA 65 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3gkn n ALA 65 Cb 0.23 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.97 0.48 3.84 0.00 0.00 0.90 -4.74 105.19 106.64 3gkn n GLY 66 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.25 2.94 0.12 4.61 0.00 -0.49 -4.15 121.76 122.54 3gkn s ALA 67 Ca 0.00 0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.16 3gkn s ALA 67 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 3gkn s ALA 67 CO 0.00 -0.68 -0.22 0.15 0.00 0.00 0.00 175.76 175.02 3gkn s LYS 68 N -4.62 1.21 -0.02 0.00 -0.14 -0.44 -4.23 119.74 111.51 3gkn s LYS 68 Ca 0.58 -1.25 0.07 0.00 -1.36 0.00 0.00 55.97 54.00 3gkn s LYS 68 Cb -0.12 -1.48 -0.02 0.00 -1.68 0.00 0.00 37.83 34.52 3gkn s LYS 68 CO 0.44 0.34 -0.22 0.42 -0.76 0.00 0.00 175.35 175.57 3gkn s ILE 69 N -1.33 2.45 -0.05 2.17 -1.09 -1.26 -0.92 121.20 121.16 3gkn s ILE 69 Ca 0.10 -1.03 -0.00 0.00 -2.23 0.00 0.00 60.65 57.49 3gkn s ILE 69 Cb -0.09 -1.91 0.03 0.00 -1.58 0.00 0.00 42.46 38.90 3gkn s ILE 69 CO 0.05 0.54 0.00 -0.76 -1.23 0.00 0.00 174.94 173.54 3gkn s LEU 70 N -0.80 0.85 0.08 2.97 1.43 -0.19 -4.19 118.68 118.82 3gkn s LEU 70 Ca 0.11 -0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.10 3gkn s LEU 70 Cb -0.10 -0.33 -0.05 0.00 0.03 0.00 0.00 46.19 45.73 3gkn s LEU 70 CO 0.00 -0.15 0.33 -0.83 0.23 0.00 0.00 176.35 175.94 3gkn s GLY 71 N 1.50 2.26 -0.02 -3.19 0.00 -0.84 -1.24 107.32 105.79 3gkn s GLY 71 Ca -0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.13 3gkn s GLY 71 CO -0.03 -0.42 0.04 0.14 0.00 0.00 0.00 173.10 172.84 3gkn s VAL 72 N -1.47 -0.03 0.27 1.40 1.01 0.64 0.12 120.40 122.34 3gkn s VAL 72 Ca 0.34 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.36 3gkn s VAL 72 Cb -0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 3gkn s VAL 72 CO 0.21 0.05 0.43 -0.94 0.00 0.00 0.00 175.10 174.85 3gkn s SER 73 N 0.60 0.25 0.00 3.32 1.04 -1.12 -0.94 113.70 116.85 3gkn s SER 73 Ca -0.05 -1.17 0.28 0.00 0.48 0.00 0.00 55.95 55.49 3gkn s SER 73 Cb -0.07 0.58 1.15 0.00 0.10 0.00 0.00 66.02 67.79 3gkn s SER 73 CO -0.02 -1.16 1.80 0.54 0.98 0.00 0.00 173.24 175.39 3gkn n ARG 74 N -0.42 1.55 -1.42 4.02 1.74 -1.26 -1.41 116.66 119.45 3gkn n ARG 74 Ca -0.00 -0.82 -0.33 0.00 -0.77 0.00 0.00 57.85 55.92 3gkn n ARG 74 Cb 0.62 -1.48 0.09 0.00 -1.02 0.00 0.00 32.46 30.67 3gkn n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gkn s ASP 75 N -2.02 4.33 0.94 0.55 1.01 -1.26 -4.02 116.67 116.21 3gkn s ASP 75 Ca 0.39 2.19 -0.11 0.00 0.71 0.00 0.00 52.55 55.72 3gkn s ASP 75 Cb 0.21 -2.57 0.16 0.00 1.01 0.00 0.00 42.92 41.73 3gkn s ASP 75 CO 0.35 -2.16 1.09 -0.94 0.21 0.00 0.00 175.17 173.71 3gkn s SER 76 N -2.39 2.96 0.29 0.27 1.04 -1.26 -4.31 113.70 110.30 3gkn s SER 76 Ca 0.70 1.60 -0.00 0.00 0.48 0.00 0.00 55.95 58.73 3gkn s SER 76 Cb -0.25 -2.26 0.43 0.00 0.10 0.00 0.00 66.02 64.04 3gkn s SER 76 CO 0.47 -2.98 1.83 0.58 0.98 0.00 0.00 173.24 174.12 3gkn h VAL 77 N -1.79 1.22 -0.41 5.02 2.07 -1.93 -0.43 116.25 120.01 3gkn h VAL 77 Ca -0.51 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 3gkn h VAL 77 Cb 1.29 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3gkn h VAL 77 CO 0.52 0.30 0.23 0.50 0.02 0.00 0.00 177.57 179.13 3gkn h LYS 78 N 0.76 0.56 -0.51 1.57 3.64 -1.97 0.25 116.57 120.88 3gkn h LYS 78 Ca 0.17 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3gkn h LYS 78 Cb 0.30 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3gkn h LYS 78 CO 0.00 0.45 0.25 1.03 -2.27 0.00 0.00 179.45 178.91 3gkn h SER 79 N 0.53 0.66 -0.86 4.20 0.87 -1.80 -1.64 113.55 115.51 3gkn h SER 79 Ca 0.14 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3gkn h SER 79 Cb 0.04 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 3gkn h SER 79 CO -0.02 0.60 0.54 0.45 -0.53 0.00 0.00 176.83 177.87 3gkn h HIS 80 N 0.67 1.11 -0.82 2.24 3.86 -0.62 -0.67 115.15 120.92 3gkn h HIS 80 Ca 0.17 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3gkn h HIS 80 Cb 0.11 -0.37 -0.04 0.00 1.06 0.00 0.00 27.41 28.18 3gkn h HIS 80 CO -0.01 0.72 0.44 -0.44 0.86 0.00 0.00 177.93 179.51 3gkn h ASP 81 N 1.17 1.02 0.00 2.45 3.45 -0.06 0.25 116.42 124.70 3gkn h ASP 81 Ca 0.31 -0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.68 3gkn h ASP 81 Cb -0.08 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.43 3gkn h ASP 81 CO -0.06 0.82 -0.00 -1.13 -1.57 0.00 0.00 179.24 177.30 3gkn h ASN 82 N 1.14 -0.00 -0.62 6.45 -1.24 -0.73 0.57 115.58 121.15 3gkn h ASN 82 Ca 0.29 -0.37 0.09 0.00 0.71 0.00 0.00 56.30 57.02 3gkn h ASN 82 Cb 0.03 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.02 3gkn h ASN 82 CO -0.05 0.37 0.26 0.15 -1.29 0.00 0.00 177.43 176.87 3gkn h PHE 83 N -0.37 0.47 -0.40 0.67 -0.00 -0.88 -1.49 116.94 114.93 3gkn h PHE 83 Ca -0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 57.99 3gkn h PHE 83 Cb 0.37 -0.12 -0.02 0.00 -0.00 0.00 0.00 35.95 36.19 3gkn h PHE 83 CO 0.05 0.15 0.21 0.00 -0.00 0.00 0.00 178.31 178.72 3gkn h ALA 85 N 1.06 1.53 0.04 0.00 0.00 -0.04 0.11 119.26 121.95 3gkn h ALA 85 Ca 0.14 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.62 3gkn h ALA 85 Cb 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3gkn h ALA 85 CO -0.02 0.15 -1.88 1.63 0.00 0.00 0.00 179.25 179.13 3gkn n LYS 86 N -3.99 0.68 -0.04 0.00 5.02 -0.64 -4.60 118.16 114.59 3gkn n LYS 86 Ca -0.02 0.26 0.01 0.00 -2.02 0.00 0.00 58.31 56.54 3gkn n LYS 86 Cb 0.21 -1.74 -0.12 0.00 -0.02 0.00 0.00 35.03 33.36 3gkn n LYS 86 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gkn n GLN 87 N -3.18 1.01 -2.90 1.97 1.13 -0.39 -5.06 117.38 109.96 3gkn n GLN 87 Ca -0.24 -0.08 -0.12 0.00 -1.94 0.00 0.00 57.00 54.62 3gkn n GLN 87 Cb 1.06 -1.36 0.06 0.00 0.11 0.00 0.00 30.24 30.10 3gkn n GLN 87 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gkn n GLY 88 N 1.85 -0.63 3.73 1.08 0.00 0.36 -4.98 105.19 106.61 3gkn n GLY 88 Ca -0.12 0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3gkn n GLY 88 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gkn s PHE 89 N -3.30 3.52 -0.18 1.61 2.99 -1.26 -4.92 117.98 116.44 3gkn s PHE 89 Ca 0.30 1.49 0.00 0.00 0.00 0.00 0.00 56.93 58.73 3gkn s PHE 89 Cb -0.04 -3.34 0.18 0.00 0.00 0.00 0.00 43.02 39.83 3gkn s PHE 89 CO 0.57 -0.88 1.61 0.00 -0.00 0.00 0.00 175.22 176.52 3gkn n ALA 90 N 2.83 4.05 -3.47 5.36 0.00 -1.26 -4.82 120.51 123.19 3gkn n ALA 90 Ca 0.05 -1.02 -0.09 0.00 0.00 0.00 0.00 53.44 52.38 3gkn n ALA 90 Cb 0.46 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 3gkn n ALA 90 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3gkn s PHE 91 N -1.14 -0.17 0.50 0.00 -0.12 -1.26 -5.04 117.98 110.75 3gkn s PHE 91 Ca 0.19 -0.19 -0.19 0.00 -0.05 0.00 0.00 56.93 56.70 3gkn s PHE 91 Cb 0.16 0.49 -0.08 0.00 -0.63 0.00 0.00 43.02 42.96 3gkn s PHE 91 CO 0.02 -1.01 1.00 -2.14 -0.05 0.00 0.00 175.22 173.05 3gkn s PRO 92 N -3.88 3.88 -0.18 1.99 0.02 -1.26 -4.95 135.00 130.62 3gkn s PRO 92 Ca 0.09 1.17 -0.01 0.00 0.02 0.00 0.00 61.00 62.27 3gkn s PRO 92 Cb -0.02 -2.12 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 3gkn s PRO 92 CO -0.01 -0.34 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.70 3gkn s LEU 93 N -3.71 2.67 -0.08 -5.54 1.43 -1.26 -1.99 118.68 110.19 3gkn s LEU 93 Ca 0.63 -0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 53.09 3gkn s LEU 93 Cb -0.13 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3gkn s LEU 93 CO 0.23 0.05 0.64 -0.69 0.23 0.00 0.00 176.35 176.82 3gkn s VAL 94 N 1.01 5.08 -0.55 -1.59 1.01 0.12 -4.54 120.40 120.94 3gkn s VAL 94 Ca -0.01 1.32 -0.18 0.00 0.00 0.00 0.00 61.98 63.11 3gkn s VAL 94 Cb -0.15 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.34 3gkn s VAL 94 CO -0.02 0.26 0.61 -0.55 0.00 0.00 0.00 175.10 175.41 3gkn s SER 95 N 0.77 6.19 -1.05 3.32 0.15 0.36 -2.80 113.70 120.65 3gkn s SER 95 Ca 0.34 -1.36 -0.02 0.00 0.70 0.00 0.00 55.95 55.62 3gkn s SER 95 Cb -0.17 -2.27 0.32 0.00 -1.71 0.00 0.00 66.02 62.19 3gkn s SER 95 CO 0.16 -0.96 1.76 -0.67 1.20 0.00 0.00 173.24 174.72 3gkn n ASP 96 N 5.98 7.16 -0.29 5.45 2.03 -0.50 -4.17 116.55 132.21 3gkn n ASP 96 Ca -0.10 -3.62 0.04 0.00 0.52 0.00 0.00 54.79 51.63 3gkn n ASP 96 Cb 0.43 -1.20 0.18 0.00 -0.72 0.00 0.00 41.12 39.81 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 4.51 1.29 -0.75 0.27 0.00 -1.81 -1.08 103.07 105.49 3gkn h GLY 97 Ca 0.46 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3gkn h GLY 97 CO 1.22 0.07 0.00 2.09 0.00 0.00 0.00 176.54 179.93 3gkn n ASP 98 N -4.79 1.41 -1.17 0.19 3.85 -1.26 -4.91 116.55 109.87 3gkn n ASP 98 Ca 0.14 -1.80 -0.15 0.00 -0.71 0.00 0.00 54.79 52.27 3gkn n ASP 98 Cb 0.32 -0.13 -0.07 0.00 -1.35 0.00 0.00 41.12 39.90 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 0.20 -1.44 0.00 0.11 1.02 -0.41 -4.90 120.64 115.23 3gkn n GLU 99 Ca 0.13 1.03 -0.11 0.00 -0.02 0.00 0.00 57.16 58.19 3gkn n GLU 99 Cb 0.26 -5.36 -0.05 0.00 -0.02 0.00 0.00 31.44 26.27 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 0.00 0.08 -0.40 0.62 0.00 -1.91 0.38 119.26 118.03 3gkn h ALA 100 Ca -0.31 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 3gkn h ALA 100 Cb 1.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3gkn h ALA 100 CO 0.46 -0.46 -0.36 1.25 0.00 0.00 0.00 179.25 180.14 3gkn h LEU 101 N 0.05 1.01 -0.60 0.00 5.85 -1.91 -1.87 115.31 117.84 3gkn h LEU 101 Ca 0.04 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.32 3gkn h LEU 101 Cb 0.04 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3gkn h LEU 101 CO -0.06 1.25 0.39 0.00 -0.34 0.00 0.00 178.44 179.68 3gkn h ARG 103 N 0.80 0.59 -0.77 0.00 3.08 -0.84 -0.78 114.38 116.48 3gkn h ARG 103 Ca 0.22 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 60.06 3gkn h ARG 103 Cb -0.08 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 3gkn h ARG 103 CO -0.05 0.81 0.48 0.00 -1.07 0.00 0.00 179.97 180.14 3gkn h ALA 104 N 1.19 1.01 -0.10 0.04 0.00 -0.76 -1.18 119.26 119.45 3gkn h ALA 104 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gkn h ALA 104 Cb 0.73 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gkn h ALA 104 CO 0.06 0.28 0.00 1.19 0.00 0.00 0.00 179.25 180.78 3gkn n PHE 105 N -4.62 0.12 -3.64 0.00 3.01 -0.81 -4.56 117.46 106.96 3gkn n PHE 105 Ca 0.09 -0.06 -0.23 0.00 1.01 0.00 0.00 57.45 58.26 3gkn n PHE 105 Cb 0.09 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.62 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 0.19 -3.97 -0.81 4.37 2.03 -0.42 -4.92 116.55 113.02 3gkn n ASP 106 Ca 0.17 -0.66 0.12 0.00 0.52 0.00 0.00 54.79 54.94 3gkn n ASP 106 Cb 0.32 -4.64 0.07 0.00 -0.72 0.00 0.00 41.12 36.15 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 -4.58 0.00 -2.94 5.18 0.24 -0.49 -4.88 118.33 110.86 3gkn n VAL 107 Ca -0.12 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.34 3gkn n VAL 107 Cb 0.60 1.42 -0.05 0.00 -1.47 0.00 0.00 33.84 34.35 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 4.87 0.12 1.34 -1.09 -1.26 -0.75 121.20 122.29 3gkn s ILE 108 Ca 0.25 1.48 0.07 0.00 -2.23 0.00 0.00 60.65 60.22 3gkn s ILE 108 Cb 0.19 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 3gkn s ILE 108 CO 0.39 -0.05 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.33 3gkn s LYS 109 N 2.76 1.11 -0.19 2.79 -0.14 -0.25 -4.92 119.74 120.90 3gkn s LYS 109 Ca 0.33 -1.24 -0.08 0.00 -1.36 0.00 0.00 55.97 53.63 3gkn s LYS 109 Cb -0.15 -1.18 -0.04 0.00 -1.68 0.00 0.00 37.83 34.77 3gkn s LYS 109 CO 0.08 0.25 0.07 -2.00 -0.76 0.00 0.00 175.35 172.98 3gkn s GLU 110 N -2.38 3.94 0.04 1.68 2.12 -1.26 -1.52 118.70 121.32 3gkn s GLU 110 Ca 0.09 -0.36 0.03 0.00 0.36 0.00 0.00 54.97 55.09 3gkn s GLU 110 Cb -0.07 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 3gkn s GLU 110 CO 0.04 0.21 -0.08 0.15 -0.54 0.00 0.00 175.26 175.04 3gkn s LYS 111 N 0.54 0.56 -0.40 4.30 1.02 -0.06 -4.93 119.74 120.78 3gkn s LYS 111 Ca 0.03 -0.68 -0.29 0.00 0.02 0.00 0.00 55.97 55.05 3gkn s LYS 111 Cb -0.13 -0.40 0.01 0.00 -0.52 0.00 0.00 37.83 36.79 3gkn s LYS 111 CO 0.01 0.08 1.34 1.21 -0.92 0.00 0.00 175.35 177.07 3gkn s ASN 112 N -1.33 6.46 -0.01 2.83 2.47 -1.26 -0.17 114.94 123.93 3gkn s ASN 112 Ca -0.07 0.85 -0.18 0.00 0.42 0.00 0.00 52.86 53.89 3gkn s ASN 112 Cb -0.09 -2.54 0.03 0.00 -1.45 0.00 0.00 41.25 37.21 3gkn s ASN 112 CO 0.01 -1.32 0.39 -0.32 -3.72 0.00 0.00 177.10 172.13 3gkn s MET 113 N 4.68 0.78 -1.57 0.43 1.75 0.27 -4.92 119.30 120.71 3gkn s MET 113 Ca 0.58 -0.15 -0.15 0.00 -1.25 0.00 0.00 55.69 54.72 3gkn s MET 113 Cb -0.13 0.35 0.10 0.00 2.84 0.00 0.00 34.83 37.99 3gkn s MET 113 CO 0.30 -0.23 0.94 0.66 -0.65 0.00 0.00 175.02 176.05 3gkn n TYR 114 N 1.08 -2.18 -1.01 4.11 4.02 -1.26 -1.18 117.16 120.73 3gkn n TYR 114 Ca -0.21 0.88 -0.00 0.00 -0.01 0.00 0.00 57.90 58.57 3gkn n TYR 114 Cb 0.57 -3.75 -0.00 0.00 -0.02 0.00 0.00 39.34 36.14 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 -1.63 0.35 0.00 2.72 0.00 -1.26 -4.95 105.19 100.42 3gkn n GLY 115 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3gkn n GLY 115 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gkn n LYS 116 N -1.72 0.00 -3.66 1.61 2.85 -0.33 -5.14 118.16 111.78 3gkn n LYS 116 Ca -0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 3gkn n LYS 116 Cb 0.17 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.47 3gkn n LYS 116 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3gkn s GLN 117 N -1.72 4.20 -0.06 -1.58 -0.21 -1.26 0.97 119.66 119.99 3gkn s GLN 117 Ca 0.00 -0.12 0.04 0.00 0.02 0.00 0.00 55.36 55.30 3gkn s GLN 117 Cb 0.00 -3.44 -0.00 0.00 1.00 0.00 0.00 33.01 30.57 3gkn s GLN 117 CO 0.00 0.24 -0.19 0.08 -2.12 0.00 0.00 175.29 173.30 3gkn s VAL 118 N 0.51 1.61 -0.14 1.09 1.01 0.76 -4.90 120.40 120.33 3gkn s VAL 118 Ca 0.11 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 3gkn s VAL 118 Cb -0.12 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3gkn s VAL 118 CO 0.01 0.46 0.29 -0.76 0.00 0.00 0.00 175.10 175.09 3gkn s LEU 119 N 0.21 4.29 0.11 3.92 1.43 -1.26 -0.88 118.68 126.50 3gkn s LEU 119 Ca -0.10 0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 53.31 3gkn s LEU 119 Cb -0.14 -2.36 0.09 0.00 0.03 0.00 0.00 46.19 43.80 3gkn s LEU 119 CO 0.04 0.16 1.11 -0.83 0.23 0.00 0.00 176.35 177.07 3gkn s GLY 120 N 0.10 -0.09 0.05 -3.19 0.00 -0.58 -4.97 107.32 98.64 3gkn s GLY 120 Ca 0.17 -0.01 -0.31 0.00 0.00 0.00 0.00 44.72 44.58 3gkn s GLY 120 CO 0.05 2.20 1.24 -0.42 0.00 0.00 0.00 173.10 176.17 3gkn s ILE 121 N -2.39 3.95 -0.24 0.90 1.01 -1.26 -1.09 121.20 122.08 3gkn s ILE 121 Ca 0.20 1.38 -0.17 0.00 0.00 0.00 0.00 60.65 62.07 3gkn s ILE 121 Cb -0.01 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 3gkn s ILE 121 CO 0.02 0.08 0.45 -0.70 0.00 0.00 0.00 174.94 174.79 3gkn s GLU 122 N 1.36 4.10 -0.24 2.79 2.12 0.07 -4.43 118.70 124.47 3gkn s GLU 122 Ca 0.59 0.23 -0.38 0.00 0.36 0.00 0.00 54.97 55.78 3gkn s GLU 122 Cb -0.30 -3.61 -0.14 0.00 0.26 0.00 0.00 34.13 30.34 3gkn s GLU 122 CO 0.28 -0.22 1.87 -2.13 -0.54 0.00 0.00 175.26 174.52 3gkn n ARG 123 N 5.10 1.43 -3.80 4.30 0.63 -1.26 -4.76 116.66 118.30 3gkn n ARG 123 Ca -0.06 0.51 -0.11 0.00 -0.92 0.00 0.00 57.85 57.26 3gkn n ARG 123 Cb 0.50 -2.32 -0.08 0.00 0.45 0.00 0.00 32.46 31.02 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 4.38 -0.04 0.02 6.15 0.01 -1.06 -1.08 113.70 122.09 3gkn s SER 124 Ca 0.99 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.95 3gkn s SER 124 Cb -0.93 0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.60 3gkn s SER 124 CO 0.59 -0.59 -0.04 -0.89 0.41 0.00 0.00 173.24 172.72 3gkn s THR 125 N -2.62 0.17 -0.00 1.44 2.01 0.32 0.06 115.64 117.01 3gkn s THR 125 Ca -0.05 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.09 3gkn s THR 125 Cb -0.01 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 3gkn s THR 125 CO -0.04 -0.45 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.03 3gkn s PHE 126 N -1.35 0.49 -0.23 4.92 0.40 0.06 -0.86 117.98 121.41 3gkn s PHE 126 Ca -0.14 -0.11 -0.04 0.00 -0.60 0.00 0.00 56.93 56.04 3gkn s PHE 126 Cb -0.09 -0.31 -0.01 0.00 0.51 0.00 0.00 43.02 43.11 3gkn s PHE 126 CO -0.01 -0.01 -0.03 -1.17 0.70 0.00 0.00 175.22 174.70 3gkn s LEU 127 N -0.19 2.99 -0.06 -0.37 2.96 -0.10 -1.23 118.68 122.68 3gkn s LEU 127 Ca 0.02 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3gkn s LEU 127 Cb -0.02 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 3gkn s LEU 127 CO -0.00 -0.04 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.11 3gkn s LEU 128 N 1.48 2.87 0.80 -0.68 1.02 0.63 -0.29 118.68 124.51 3gkn s LEU 128 Ca 0.05 -0.15 -0.12 0.00 0.02 0.00 0.00 54.13 53.93 3gkn s LEU 128 Cb -0.15 -1.60 0.07 0.00 0.02 0.00 0.00 46.19 44.54 3gkn s LEU 128 CO -0.03 0.34 1.12 -0.94 0.02 0.00 0.00 176.35 176.86 3gkn s SER 129 N -0.66 4.54 0.62 2.29 1.04 -0.17 -0.87 113.70 120.48 3gkn s SER 129 Ca 0.10 1.08 0.34 0.00 0.48 0.00 0.00 55.95 57.95 3gkn s SER 129 Cb -0.11 -1.74 1.99 0.00 0.10 0.00 0.00 66.02 66.26 3gkn s SER 129 CO 0.01 -1.92 2.26 -0.65 0.98 0.00 0.00 173.24 173.92 3gkn h PRO 130 N -1.06 0.00 -0.01 4.02 0.11 -1.88 0.42 132.00 133.60 3gkn h PRO 130 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gkn h PRO 130 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3gkn h PRO 130 CO 0.62 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 3gkn n GLU 131 N -3.55 1.40 -0.73 1.05 4.71 -1.26 -0.65 120.64 121.60 3gkn n GLU 131 Ca -0.02 -0.58 0.00 0.00 -0.01 0.00 0.00 57.16 56.54 3gkn n GLU 131 Cb 0.13 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 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 1.10 0.57 3.86 0.62 0.00 0.14 -5.03 105.19 106.44 3gkn n GLY 132 Ca 0.21 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.12 3.75 -0.45 1.61 -0.21 -1.26 -4.84 119.66 117.14 3gkn s GLN 133 Ca 0.00 0.18 -0.29 0.00 0.02 0.00 0.00 55.36 55.27 3gkn s GLN 133 Cb 0.00 -3.11 0.03 0.00 1.00 0.00 0.00 33.01 30.92 3gkn s GLN 133 CO 0.00 0.65 1.12 0.08 -2.12 0.00 0.00 175.29 175.02 3gkn s VAL 134 N -1.22 4.27 -0.06 1.09 1.01 -1.26 -1.00 120.40 123.22 3gkn s VAL 134 Ca 0.27 1.32 0.06 0.00 0.00 0.00 0.00 61.98 63.63 3gkn s VAL 134 Cb -0.15 -4.57 -0.24 0.00 0.00 0.00 0.00 36.38 31.43 3gkn s VAL 134 CO 0.14 -0.90 0.60 0.58 0.00 0.00 0.00 175.10 175.52 3gkn h VAL 135 N 6.13 0.81 -2.68 2.92 2.07 -1.01 -3.49 116.25 121.01 3gkn h VAL 135 Ca -0.22 -2.61 -0.10 0.00 0.82 0.00 0.00 66.70 64.58 3gkn h VAL 135 Cb 1.06 2.47 -0.21 0.00 -1.52 0.00 0.00 31.29 33.10 3gkn h VAL 135 CO 1.11 0.64 -0.13 -1.58 0.02 0.00 0.00 177.57 177.62 3gkn s GLN 136 N -2.59 0.74 0.07 1.57 0.74 -1.13 -5.01 119.66 114.05 3gkn s GLN 136 Ca -0.10 0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.46 3gkn s GLN 136 Cb 0.08 0.34 -0.03 0.00 1.10 0.00 0.00 33.01 34.50 3gkn s GLN 136 CO 0.81 -0.19 -0.10 0.00 -0.55 0.00 0.00 175.29 175.26 3gkn s ALA 137 N -0.92 0.90 -0.05 1.58 0.00 -1.26 -0.93 121.76 121.08 3gkn s ALA 137 Ca -0.10 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 3gkn s ALA 137 Cb -0.03 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.12 3gkn s ALA 137 CO 0.05 0.02 -0.01 -1.58 0.00 0.00 0.00 175.76 174.23 3gkn s TRP 138 N -1.73 0.60 0.24 0.00 0.51 -0.04 -4.99 118.94 113.53 3gkn s TRP 138 Ca -0.03 -0.13 0.09 0.00 -2.12 0.00 0.00 56.10 53.91 3gkn s TRP 138 Cb -0.07 -0.67 -0.05 0.00 -0.81 0.00 0.00 33.47 31.87 3gkn s TRP 138 CO 0.01 -0.24 -0.15 1.03 -0.51 0.00 0.00 176.95 177.08 3gkn s ARG 139 N 1.44 1.47 -1.44 4.98 0.52 -1.26 -0.52 118.95 124.13 3gkn s ARG 139 Ca -0.03 -1.67 -0.07 0.00 -0.52 0.00 0.00 55.73 53.43 3gkn s ARG 139 Cb -0.13 -1.34 0.05 0.00 0.52 0.00 0.00 34.95 34.04 3gkn s ARG 139 CO -0.03 0.22 0.78 1.63 0.02 0.00 0.00 175.30 177.92 3gkn n LYS 140 N -0.48 -4.82 -1.80 3.54 5.02 -0.80 -4.85 118.16 113.97 3gkn n LYS 140 Ca -0.07 0.56 -0.42 0.00 -2.02 0.00 0.00 58.31 56.37 3gkn n LYS 140 Cb 0.61 -5.21 -0.02 0.00 -0.02 0.00 0.00 35.03 30.39 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 -3.53 2.14 -0.25 -0.18 1.01 -0.24 -5.00 120.40 114.34 3gkn s VAL 141 Ca 0.33 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 3gkn s VAL 141 Cb -0.17 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 3gkn s VAL 141 CO 0.84 0.02 0.15 -0.54 0.00 0.00 0.00 175.10 175.56 3gkn s LYS 142 N -0.19 3.99 0.17 2.72 1.02 -1.26 -4.86 119.74 121.33 3gkn s LYS 142 Ca 0.65 -0.31 -0.14 0.00 0.02 0.00 0.00 55.97 56.19 3gkn s LYS 142 Cb -0.47 -3.52 0.11 0.00 -0.52 0.00 0.00 37.83 33.43 3gkn s LYS 142 CO 0.45 -0.01 1.79 0.28 -0.92 0.00 0.00 175.35 176.94 3gkn h VAL 143 N 5.15 0.98 -1.78 3.17 2.07 -1.94 -3.37 116.25 120.53 3gkn h VAL 143 Ca -0.37 -0.17 -0.65 0.00 0.82 0.00 0.00 66.70 66.33 3gkn h VAL 143 Cb 1.18 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3gkn h VAL 143 CO 0.63 0.09 1.13 0.00 0.02 0.00 0.00 177.57 179.44 3gkn n ALA 144 N -2.31 0.74 -0.95 1.67 0.00 -1.26 -1.00 120.51 117.40 3gkn n ALA 144 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3gkn n ALA 144 Cb 0.11 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.09 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 4.78 0.46 0.16 0.00 0.00 -1.26 -4.93 105.19 104.40 3gkn n GLY 145 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.29 -0.93 1.61 2.76 -1.24 -2.15 115.15 114.91 3gkn h HIS 146 Ca 0.00 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.25 3gkn h HIS 146 Cb 0.21 0.10 -0.07 0.00 1.55 0.00 0.00 27.41 29.20 3gkn h HIS 146 CO 0.13 0.01 0.60 0.00 -1.30 0.00 0.00 177.93 177.37 3gkn h ALA 147 N 0.09 1.54 -0.62 5.26 0.00 -1.92 -0.36 119.26 123.26 3gkn h ALA 147 Ca -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3gkn h ALA 147 Cb 0.43 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3gkn h ALA 147 CO 0.05 0.29 0.38 -0.44 0.00 0.00 0.00 179.25 179.53 3gkn h ASP 148 N 1.00 0.63 -0.23 0.00 3.45 -1.89 -1.26 116.42 118.12 3gkn h ASP 148 Ca 0.42 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.79 3gkn h ASP 148 Cb 0.32 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 3gkn h ASP 148 CO -0.18 0.44 -0.15 0.00 -1.57 0.00 0.00 179.24 177.79 3gkn h ALA 149 N 1.26 1.07 -0.33 3.45 0.00 -0.44 -1.09 119.26 123.18 3gkn h ALA 149 Ca 0.25 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3gkn h ALA 149 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3gkn h ALA 149 CO -0.10 0.57 -0.19 0.28 0.00 0.00 0.00 179.25 179.81 3gkn h VAL 150 N 0.59 1.29 -0.71 0.00 2.07 -0.78 -1.17 116.25 117.54 3gkn h VAL 150 Ca 0.10 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 3gkn h VAL 150 Cb 0.59 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3gkn h VAL 150 CO 0.04 0.43 0.30 0.25 0.02 0.00 0.00 177.57 178.61 3gkn h LEU 151 N 0.48 0.97 -0.84 2.57 5.85 -1.07 -0.64 115.31 122.64 3gkn h LEU 151 Ca 0.07 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3gkn h LEU 151 Cb 0.74 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3gkn h LEU 151 CO 0.05 0.87 0.43 0.00 -0.34 0.00 0.00 178.44 179.45 3gkn h ALA 152 N 1.14 1.08 -0.43 1.25 0.00 -1.05 -0.87 119.26 120.38 3gkn h ALA 152 Ca 0.24 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3gkn h ALA 152 Cb 0.19 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3gkn h ALA 152 CO -0.02 0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.89 3gkn h ALA 153 N 1.23 0.57 -0.18 0.00 0.00 -0.81 -1.53 119.26 118.54 3gkn h ALA 153 Ca 0.29 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3gkn h ALA 153 Cb 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3gkn h ALA 153 CO -0.04 0.31 -0.03 1.25 0.00 0.00 0.00 179.25 180.74 3gkn h LEU 154 N 0.57 -0.14 -1.59 0.00 5.85 -0.65 -1.32 115.31 118.02 3gkn h LEU 154 Ca 0.13 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3gkn h LEU 154 Cb 0.42 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3gkn h LEU 154 CO 0.01 -0.05 0.01 0.11 -0.34 0.00 0.00 178.44 178.18 3gkn h LYS 155 N 0.01 0.26 -0.10 1.25 1.57 -1.01 -0.77 116.57 117.79 3gkn h LYS 155 Ca 0.09 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.67 3gkn h LYS 155 Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3gkn h LYS 155 CO -0.18 0.28 -0.61 0.00 -0.57 0.00 0.00 179.45 178.38 3gkn h ALA 156 N 1.75 0.76 0.00 3.86 0.00 -0.63 -3.23 119.26 121.78 3gkn h ALA 156 Ca 0.06 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3gkn h ALA 156 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3gkn h ALA 156 CO 0.00 0.72 -0.73 0.45 0.00 0.00 0.00 179.25 179.69 3gkn h HIS 157 N 0.26 0.00 0.00 0.00 3.86 -0.74 -3.46 115.15 115.07 3gkn h HIS 157 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3gkn h HIS 157 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 3gkn h HIS 157 CO 0.03 0.32 0.00 0.00 0.86 0.00 0.00 177.93 179.14 3gkn n ALA 158 N -2.23 0.00 0.00 2.45 0.00 -0.34 -5.10 120.51 115.28 3gkn n ALA 158 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3gkn n ALA 158 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 3gkn n ALA 158 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13