#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkd s ILE 3 N 0.00 3.05 -0.12 -1.33 1.01 -1.26 -4.38 121.20 118.17 1lkd s ILE 3 Ca 0.00 0.78 0.19 0.00 0.00 0.00 0.00 60.65 61.62 1lkd s ILE 3 Cb 0.00 -3.50 -0.25 0.00 0.01 0.00 0.00 42.46 38.72 1lkd s ILE 3 CO 0.00 0.08 0.43 0.54 0.00 0.00 0.00 174.94 175.98 1lkd n ARG 4 N 3.60 0.66 -3.60 2.79 5.12 0.16 -4.84 116.66 120.56 1lkd n ARG 4 Ca 0.11 -0.02 0.04 0.00 -1.93 0.00 0.00 57.85 56.05 1lkd n ARG 4 Cb 0.41 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 1lkd n ARG 4 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1lkd s SER 5 N -5.20 -0.01 -0.16 0.55 1.04 -1.20 -4.50 113.70 104.22 1lkd s SER 5 Ca -0.07 -0.02 -0.26 0.00 0.48 0.00 0.00 55.95 56.07 1lkd s SER 5 Cb 0.10 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1lkd s SER 5 CO 0.85 -0.04 0.88 -0.22 0.98 0.00 0.00 173.24 175.69 1lkd s LEU 6 N -3.08 4.18 -0.23 2.42 2.96 -1.26 -0.82 118.68 122.86 1lkd s LEU 6 Ca 0.16 1.26 0.07 0.00 -0.22 0.00 0.00 54.13 55.40 1lkd s LEU 6 Cb 0.07 -3.32 -0.20 0.00 0.50 0.00 0.00 46.19 43.24 1lkd s LEU 6 CO -0.06 -0.42 -0.08 0.61 -1.32 0.00 0.00 176.35 175.07 1lkd n GLY 7 N 3.37 -0.60 3.64 7.98 0.00 0.75 -1.44 105.19 118.89 1lkd n GLY 7 Ca 0.06 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1lkd n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lkd s TYR 8 N -2.51 -0.34 0.01 1.61 -0.85 -1.08 -4.72 117.35 109.46 1lkd s TYR 8 Ca -0.25 0.03 -0.01 0.00 -0.52 0.00 0.00 57.07 56.31 1lkd s TYR 8 Cb 0.08 0.63 -0.01 0.00 0.38 0.00 0.00 41.96 43.04 1lkd s TYR 8 CO 0.69 -0.99 0.01 -1.64 -1.52 0.00 0.00 175.55 172.10 1lkd s MET 9 N -3.73 0.25 -0.03 -3.49 -1.94 -0.17 -1.05 119.30 109.13 1lkd s MET 9 Ca 0.06 -0.39 0.06 0.00 -1.71 0.00 0.00 55.69 53.71 1lkd s MET 9 Cb -0.03 0.09 -0.01 0.00 2.01 0.00 0.00 34.83 36.89 1lkd s MET 9 CO -0.03 -0.04 -0.21 0.20 -0.01 0.00 0.00 175.02 174.93 1lkd s GLY 10 N -1.01 1.04 0.02 -0.03 0.00 -0.18 -1.19 107.32 105.97 1lkd s GLY 10 Ca -0.11 -0.87 0.09 0.00 0.00 0.00 0.00 44.72 43.83 1lkd s GLY 10 CO -0.00 -0.63 -0.26 -1.36 0.00 0.00 0.00 173.10 170.85 1lkd s PHE 11 N -0.30 2.29 -0.28 1.90 0.08 0.19 0.24 117.98 122.09 1lkd s PHE 11 Ca 0.03 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 56.63 1lkd s PHE 11 Cb -0.10 -1.41 0.03 0.00 -0.57 0.00 0.00 43.02 40.97 1lkd s PHE 11 CO 0.01 0.06 0.01 0.00 -0.10 0.00 0.00 175.22 175.20 1lkd s ALA 12 N -0.73 2.87 0.20 5.36 0.00 -0.76 -0.74 121.76 127.95 1lkd s ALA 12 Ca 0.11 -1.56 0.08 0.00 0.00 0.00 0.00 51.96 50.59 1lkd s ALA 12 Cb -0.10 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1lkd s ALA 12 CO 0.01 -1.01 -0.16 0.14 0.00 0.00 0.00 175.76 174.73 1lkd s VAL 13 N 1.37 1.82 -0.14 0.00 -7.23 0.23 -0.85 120.40 115.59 1lkd s VAL 13 Ca -0.01 -2.12 0.16 0.00 -1.81 0.00 0.00 61.98 58.21 1lkd s VAL 13 Cb -0.18 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 1lkd s VAL 13 CO -0.01 -0.48 1.16 0.77 -0.31 0.00 0.00 175.10 176.23 1lkd h SER 14 N 2.79 0.00 -3.36 4.85 4.64 -1.61 0.46 113.55 121.32 1lkd h SER 14 Ca -0.40 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.30 1lkd h SER 14 Cb 1.22 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.90 1lkd h SER 14 CO 0.58 0.52 -0.65 -0.62 -0.87 0.00 0.00 176.83 175.79 1lkd s ASP 15 N -6.13 4.19 0.25 4.97 -1.08 -1.26 -4.89 116.67 112.72 1lkd s ASP 15 Ca 0.01 -3.43 -0.05 0.00 -0.52 0.00 0.00 52.55 48.56 1lkd s ASP 15 Cb 0.08 -1.43 0.30 0.00 -1.46 0.00 0.00 42.92 40.41 1lkd s ASP 15 CO 0.78 -0.15 1.92 0.58 0.52 0.00 0.00 175.17 178.82 1lkd h VAL 16 N 4.77 1.22 -0.59 1.11 2.07 -1.92 -2.35 116.25 120.56 1lkd h VAL 16 Ca 0.09 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1lkd h VAL 16 Cb 0.82 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1lkd h VAL 16 CO 0.64 0.24 0.09 0.00 0.02 0.00 0.00 177.57 178.57 1lkd h ALA 17 N 1.39 1.06 -0.67 1.67 0.00 -1.98 -0.76 119.26 119.96 1lkd h ALA 17 Ca 0.39 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1lkd h ALA 17 Cb -0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1lkd h ALA 17 CO -0.10 0.61 0.10 0.00 0.00 0.00 0.00 179.25 179.86 1lkd h ALA 18 N 1.20 0.89 -0.34 0.00 0.00 -1.88 -1.89 119.26 117.24 1lkd h ALA 18 Ca 0.18 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1lkd h ALA 18 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1lkd h ALA 18 CO 0.01 0.67 -0.27 -1.49 0.00 0.00 0.00 179.25 178.17 1lkd h TRP 19 N 1.04 0.80 -0.23 0.00 4.06 -1.11 -0.96 115.95 119.55 1lkd h TRP 19 Ca 0.20 -0.19 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 1lkd h TRP 19 Cb 0.45 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 1lkd h TRP 19 CO 0.03 0.89 0.13 -0.09 -3.56 0.00 0.00 178.44 175.85 1lkd h ARG 20 N 0.61 0.32 -0.37 0.49 2.43 -0.80 -0.50 114.38 116.55 1lkd h ARG 20 Ca 0.08 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1lkd h ARG 20 Cb 0.77 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1lkd h ARG 20 CO 0.06 0.27 0.07 1.03 -1.51 0.00 0.00 179.97 179.90 1lkd h SER 21 N 0.28 0.58 0.13 -3.80 0.87 -1.26 -2.44 113.55 107.90 1lkd h SER 21 Ca 0.08 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1lkd h SER 21 Cb 0.04 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1lkd h SER 21 CO -0.01 0.68 -0.06 0.15 -0.53 0.00 0.00 176.83 177.05 1lkd h PHE 22 N 0.45 -0.16 -0.68 2.24 3.57 -1.00 0.54 116.94 121.90 1lkd h PHE 22 Ca 0.11 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1lkd h PHE 22 Cb 0.34 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1lkd h PHE 22 CO 0.02 -0.06 0.35 -0.07 -2.23 0.00 0.00 178.31 176.32 1lkd h LEU 23 N -0.21 0.86 0.00 0.59 3.38 -1.11 -1.92 115.31 116.90 1lkd h LEU 23 Ca -0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1lkd h LEU 23 Cb 0.17 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1lkd h LEU 23 CO 0.03 0.73 -0.11 0.71 0.09 0.00 0.00 178.44 179.89 1lkd h THR 24 N 0.93 0.17 -0.30 0.22 1.35 -1.39 0.09 112.91 113.98 1lkd h THR 24 Ca 0.24 -1.13 -0.14 0.00 -0.55 0.00 0.00 66.41 64.82 1lkd h THR 24 Cb 0.07 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 66.81 1lkd h THR 24 CO -0.03 0.06 -0.38 1.56 -0.25 0.00 0.00 175.52 176.47 1lkd h GLN 25 N -1.00 0.71 0.00 4.72 4.20 -1.02 -2.05 115.11 120.67 1lkd h GLN 25 Ca -0.01 -0.36 -0.13 0.00 0.06 0.00 0.00 58.65 58.22 1lkd h GLN 25 Cb 0.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1lkd h GLN 25 CO -0.00 0.97 -0.85 0.87 -0.67 0.00 0.00 178.83 179.14 1lkd h LYS 26 N 0.59 0.00 0.00 1.46 1.79 -1.39 -3.42 116.57 115.60 1lkd h LYS 26 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1lkd h LYS 26 Cb 0.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1lkd h LYS 26 CO 0.08 0.65 -0.78 -0.07 -1.08 0.00 0.00 179.45 178.25 1lkd h LEU 27 N -1.00 0.00 0.00 2.94 3.38 -1.32 -3.45 115.31 115.86 1lkd h LEU 27 Ca -0.20 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1lkd h LEU 27 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1lkd h LEU 27 CO -0.12 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.05 1lkd n GLY 28 N 1.22 0.68 3.79 0.83 0.00 -0.67 -4.90 105.19 106.15 1lkd n GLY 28 Ca 0.01 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1lkd n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lkd s LEU 29 N 0.00 2.74 -0.20 0.99 1.02 -0.07 -1.86 118.68 121.30 1lkd s LEU 29 Ca 0.00 1.46 -0.08 0.00 0.02 0.00 0.00 54.13 55.52 1lkd s LEU 29 Cb 0.00 -4.13 -0.04 0.00 0.02 0.00 0.00 46.19 42.04 1lkd s LEU 29 CO 0.00 -1.92 0.09 -0.32 0.02 0.00 0.00 176.35 174.23 1lkd s MET 30 N -5.08 4.00 0.14 1.70 -2.45 -0.35 -1.95 119.30 115.31 1lkd s MET 30 Ca 0.60 -0.32 -0.31 0.00 -1.25 0.00 0.00 55.69 54.41 1lkd s MET 30 Cb -0.15 -3.33 -0.09 0.00 1.25 0.00 0.00 34.83 32.51 1lkd s MET 30 CO 0.55 0.18 1.46 -1.21 1.05 0.00 0.00 175.02 177.05 1lkd s GLU 31 N 0.65 4.28 -0.20 4.11 2.02 -1.26 -0.63 118.70 127.66 1lkd s GLU 31 Ca 0.05 2.19 0.13 0.00 0.02 0.00 0.00 54.97 57.36 1lkd s GLU 31 Cb -0.13 -3.21 0.44 0.00 0.10 0.00 0.00 34.13 31.33 1lkd s GLU 31 CO 0.01 -0.50 1.20 0.00 0.02 0.00 0.00 175.26 175.99 1lkd n ALA 32 N 3.93 3.74 0.00 5.21 0.00 -0.05 -4.88 120.51 128.46 1lkd n ALA 32 Ca 0.12 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.32 1lkd n ALA 32 Cb 0.41 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1lkd n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lkd n GLY 33 N -0.72 -0.06 2.99 0.00 0.00 -1.26 -4.71 105.19 101.43 1lkd n GLY 33 Ca 0.23 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 1lkd n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lkd s THR 34 N -1.57 1.03 0.00 2.61 2.01 -1.26 -0.88 115.64 117.58 1lkd s THR 34 Ca 0.00 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.59 1lkd s THR 34 Cb 0.00 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1lkd s THR 34 CO 0.00 0.34 0.00 0.35 -0.69 0.00 0.00 174.62 174.62 1lkd n THR 35 N 3.97 0.00 0.70 -0.82 -2.24 -0.76 -4.97 114.28 110.15 1lkd n THR 35 Ca -0.22 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.62 1lkd n THR 35 Cb 0.51 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 69.09 1lkd n THR 35 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1lkd n ASP 36 N -2.09 0.00 -0.76 3.42 5.75 -1.26 -0.57 116.55 121.04 1lkd n ASP 36 Ca 0.00 -0.13 0.13 0.00 -0.01 0.00 0.00 54.79 54.77 1lkd n ASP 36 Cb 0.00 -0.15 0.24 0.00 -1.03 0.00 0.00 41.12 40.17 1lkd n ASP 36 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1lkd n ASN 37 N -1.15 2.42 0.00 -1.12 5.15 -1.26 -5.06 115.26 114.23 1lkd n ASN 37 Ca 0.08 -1.78 0.00 0.00 -0.60 0.00 0.00 54.58 52.27 1lkd n ASN 37 Cb 0.07 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 1lkd n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lkd n GLY 38 N 1.30 -1.78 3.71 8.20 0.00 0.27 -4.57 105.19 112.32 1lkd n GLY 38 Ca 0.15 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1lkd n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lkd s ASP 39 N -4.00 7.14 -0.03 1.61 -0.00 0.00 -1.83 116.67 119.56 1lkd s ASP 39 Ca 0.00 1.95 -0.02 0.00 -0.00 0.00 0.00 52.55 54.48 1lkd s ASP 39 Cb 0.00 -2.58 -0.04 0.00 -0.00 0.00 0.00 42.92 40.30 1lkd s ASP 39 CO 0.00 -0.43 0.09 -0.76 -0.00 0.00 0.00 175.17 174.07 1lkd s LEU 40 N 1.02 3.98 0.00 1.23 1.43 -0.06 -0.60 118.68 125.69 1lkd s LEU 40 Ca 0.57 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 1lkd s LEU 40 Cb -0.28 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 1lkd s LEU 40 CO 0.29 0.30 -0.09 -0.36 0.23 0.00 0.00 176.35 176.72 1lkd s PHE 41 N -1.15 0.80 0.27 0.29 0.40 0.12 -0.87 117.98 117.84 1lkd s PHE 41 Ca 0.21 -0.20 0.11 0.00 -0.60 0.00 0.00 56.93 56.45 1lkd s PHE 41 Cb -0.12 -0.51 -0.05 0.00 0.51 0.00 0.00 43.02 42.86 1lkd s PHE 41 CO 0.12 -0.01 -0.13 1.03 0.70 0.00 0.00 175.22 176.92 1lkd s ARG 42 N -0.45 1.90 0.00 0.44 0.52 0.20 -1.03 118.95 120.53 1lkd s ARG 42 Ca 0.02 -1.62 0.00 0.00 -0.52 0.00 0.00 55.73 53.60 1lkd s ARG 42 Cb -0.04 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.51 1lkd s ARG 42 CO -0.00 0.35 0.02 0.44 0.02 0.00 0.00 175.30 176.12 1lkd n ILE 43 N -0.66 0.00 -1.43 1.52 -5.35 -1.26 -1.21 119.36 110.97 1lkd n ILE 43 Ca -0.06 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1lkd n ILE 43 Cb 0.59 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 1lkd n ILE 43 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1lkd n ASP 44 N -0.16 0.00 0.24 7.28 5.68 -1.26 -4.34 116.55 123.99 1lkd n ASP 44 Ca 0.00 0.00 0.16 0.00 -0.50 0.00 0.00 54.79 54.45 1lkd n ASP 44 Cb 0.03 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 40.66 1lkd n ASP 44 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1lkd h SER 45 N 0.00 0.00 -3.97 -1.12 4.64 -1.96 -3.43 113.55 107.71 1lkd h SER 45 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1lkd h SER 45 Cb 0.00 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.16 1lkd h SER 45 CO 0.00 0.00 0.55 -0.13 -0.87 0.00 0.00 176.83 176.38 1lkd s ARG 46 N -3.58 3.87 0.54 4.77 1.81 -1.26 -0.39 118.95 124.70 1lkd s ARG 46 Ca 0.02 1.99 0.29 0.00 -1.72 0.00 0.00 55.73 56.31 1lkd s ARG 46 Cb 0.09 -2.61 1.45 0.00 -0.45 0.00 0.00 34.95 33.42 1lkd s ARG 46 CO 0.49 -0.52 1.94 0.00 -0.68 0.00 0.00 175.30 176.53 1lkd h ALA 47 N 2.42 2.63 -1.60 2.13 0.00 -1.39 -3.44 119.26 120.02 1lkd h ALA 47 Ca -0.49 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.52 1lkd h ALA 47 Cb 1.25 0.05 -0.22 0.00 0.00 0.00 0.00 17.79 18.87 1lkd h ALA 47 CO 0.62 -0.86 0.62 1.67 0.00 0.00 0.00 179.25 181.29 1lkd s TRP 48 N -4.96 -0.30 0.00 0.00 1.48 -1.26 -4.76 118.94 109.14 1lkd s TRP 48 Ca -0.05 0.44 0.00 0.00 -1.06 0.00 0.00 56.10 55.43 1lkd s TRP 48 Cb 0.20 0.48 0.00 0.00 -1.16 0.00 0.00 33.47 32.99 1lkd s TRP 48 CO 0.74 -0.32 0.00 0.54 -4.06 0.00 0.00 176.95 173.85 1lkd n ARG 49 N 0.47 2.21 -4.53 3.25 5.12 -0.19 -4.93 116.66 118.05 1lkd n ARG 49 Ca -0.08 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.61 1lkd n ARG 49 Cb 0.59 -0.82 -0.16 0.00 -1.16 0.00 0.00 32.46 30.91 1lkd n ARG 49 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1lkd s ILE 50 N -1.63 1.03 0.01 0.55 1.01 -1.05 -1.00 121.20 120.13 1lkd s ILE 50 Ca 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.28 1lkd s ILE 50 Cb 0.00 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 1lkd s ILE 50 CO 0.00 0.32 -0.21 0.00 0.00 0.00 0.00 174.94 175.06 1lkd s ALA 51 N 0.51 2.45 -0.15 9.38 0.00 -0.33 -0.70 121.76 132.91 1lkd s ALA 51 Ca -0.10 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1lkd s ALA 51 Cb -0.14 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.33 1lkd s ALA 51 CO 0.02 0.55 -0.12 0.08 0.00 0.00 0.00 175.76 176.30 1lkd s VAL 52 N -0.80 1.44 0.25 0.00 1.01 0.24 -0.64 120.40 121.89 1lkd s VAL 52 Ca 0.13 -0.59 0.12 0.00 0.00 0.00 0.00 61.98 61.63 1lkd s VAL 52 Cb -0.10 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1lkd s VAL 52 CO 0.02 0.40 -0.21 0.00 0.00 0.00 0.00 175.10 175.31 1lkd s GLN 53 N 1.54 1.64 0.08 2.72 -2.07 0.08 -0.82 119.66 122.83 1lkd s GLN 53 Ca 0.04 -1.67 -0.31 0.00 -1.82 0.00 0.00 55.36 51.61 1lkd s GLN 53 Cb -0.13 -1.81 -0.07 0.00 -1.09 0.00 0.00 33.01 29.91 1lkd s GLN 53 CO -0.10 0.36 1.32 -1.14 -1.32 0.00 0.00 175.29 174.41 1lkd s GLN 54 N -3.20 4.36 -0.23 9.60 2.00 -1.26 -0.60 119.66 130.33 1lkd s GLN 54 Ca 0.27 1.95 -0.28 0.00 -2.00 0.00 0.00 55.36 55.29 1lkd s GLN 54 Cb -0.06 -3.32 0.15 0.00 0.80 0.00 0.00 33.01 30.58 1lkd s GLN 54 CO 0.13 -0.38 1.13 0.20 -0.50 0.00 0.00 175.29 175.87 1lkd s GLY 55 N 1.16 -0.10 0.20 2.59 0.00 0.16 -4.67 107.32 106.66 1lkd s GLY 55 Ca 0.62 2.53 0.26 0.00 0.00 0.00 0.00 44.72 48.13 1lkd s GLY 55 CO 0.29 1.36 1.78 1.18 0.00 0.00 0.00 173.10 177.71 1lkd n GLU 56 N 1.17 0.23 0.16 2.90 -0.58 -1.26 -1.63 120.64 121.63 1lkd n GLU 56 Ca -0.09 0.23 0.02 0.00 -0.42 0.00 0.00 57.16 56.90 1lkd n GLU 56 Cb 0.57 -1.79 0.36 0.00 -0.57 0.00 0.00 31.44 30.02 1lkd n GLU 56 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1lkd h VAL 57 N 0.00 1.24 -6.19 2.62 -1.51 -1.92 -3.46 116.25 107.03 1lkd h VAL 57 Ca 0.00 -1.13 -0.42 0.00 -1.23 0.00 0.00 66.70 63.91 1lkd h VAL 57 Cb 0.66 1.55 0.09 0.00 -2.13 0.00 0.00 31.29 31.46 1lkd h VAL 57 CO 0.00 0.33 -0.93 0.47 -1.23 0.00 0.00 177.57 176.21 1lkd n ASP 58 N -4.15 -5.15 -3.06 4.19 8.00 -0.03 -4.96 116.55 111.39 1lkd n ASP 58 Ca -0.02 -1.00 -0.07 0.00 0.71 0.00 0.00 54.79 54.41 1lkd n ASP 58 Cb 0.37 -3.48 0.02 0.00 -0.02 0.00 0.00 41.12 38.02 1lkd n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1lkd s ASP 59 N -3.51 -0.00 0.09 -2.24 -1.08 -0.91 -4.77 116.67 104.25 1lkd s ASP 59 Ca 0.45 -1.02 -0.31 0.00 -0.52 0.00 0.00 52.55 51.16 1lkd s ASP 59 Cb -0.16 0.76 -0.08 0.00 -1.46 0.00 0.00 42.92 41.99 1lkd s ASP 59 CO 0.86 -1.51 1.50 -0.22 0.52 0.00 0.00 175.17 176.31 1lkd s LEU 60 N -3.15 4.36 -0.11 -1.34 2.96 -1.26 -1.84 118.68 118.30 1lkd s LEU 60 Ca 0.17 2.38 0.11 0.00 -0.22 0.00 0.00 54.13 56.57 1lkd s LEU 60 Cb -0.04 -3.58 -0.24 0.00 0.50 0.00 0.00 46.19 42.83 1lkd s LEU 60 CO 0.10 -0.76 0.40 0.00 -1.32 0.00 0.00 176.35 174.76 1lkd n ALA 61 N 4.70 1.42 -3.53 5.97 0.00 0.14 -4.85 120.51 124.35 1lkd n ALA 61 Ca 0.13 -0.94 -0.07 0.00 0.00 0.00 0.00 53.44 52.57 1lkd n ALA 61 Cb 0.41 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 19.26 1lkd n ALA 61 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1lkd s PHE 62 N -2.56 -0.27 0.00 0.00 -0.12 -1.07 -4.31 117.98 109.65 1lkd s PHE 62 Ca -0.10 0.16 0.01 0.00 -0.05 0.00 0.00 56.93 56.95 1lkd s PHE 62 Cb 0.07 0.53 -0.00 0.00 -0.63 0.00 0.00 43.02 42.99 1lkd s PHE 62 CO 0.81 -0.44 -0.02 0.00 -0.05 0.00 0.00 175.22 175.51 1lkd s ALA 63 N -2.90 0.20 -0.14 1.99 0.00 -1.12 -1.01 121.76 118.78 1lkd s ALA 63 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1lkd s ALA 63 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1lkd s ALA 63 CO -0.08 0.04 -0.17 0.20 0.00 0.00 0.00 175.76 175.75 1lkd s GLY 64 N -0.15 1.45 -0.14 0.00 0.00 -0.22 -1.16 107.32 107.11 1lkd s GLY 64 Ca -0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 44.72 43.64 1lkd s GLY 64 CO -0.00 -0.08 0.11 -0.19 0.00 0.00 0.00 173.10 172.94 1lkd s TYR 65 N 0.64 3.47 -0.10 1.90 2.02 0.14 -0.18 117.35 125.24 1lkd s TYR 65 Ca -0.09 0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.88 1lkd s TYR 65 Cb -0.16 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.37 1lkd s TYR 65 CO 0.03 0.55 0.31 -2.00 -1.57 0.00 0.00 175.55 172.86 1lkd s GLU 66 N -0.57 3.97 0.34 -0.62 2.12 0.00 -1.10 118.70 122.85 1lkd s GLU 66 Ca 0.12 0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.70 1lkd s GLU 66 Cb -0.12 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 1lkd s GLU 66 CO 0.02 0.50 0.13 0.14 -0.54 0.00 0.00 175.26 175.51 1lkd s VAL 67 N -0.37 2.93 0.26 3.70 -7.23 -0.10 0.41 120.40 120.00 1lkd s VAL 67 Ca 0.19 -1.73 0.05 0.00 -1.81 0.00 0.00 61.98 58.68 1lkd s VAL 67 Cb -0.14 -2.96 -0.01 0.00 0.56 0.00 0.00 36.38 33.84 1lkd s VAL 67 CO 0.07 -0.17 1.62 0.00 -0.31 0.00 0.00 175.10 176.31 1lkd h ALA 68 N 1.57 0.95 -2.28 1.32 0.00 -1.87 -3.42 119.26 115.54 1lkd h ALA 68 Ca -0.43 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.02 1lkd h ALA 68 Cb 1.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1lkd h ALA 68 CO 0.64 0.66 0.18 -0.40 0.00 0.00 0.00 179.25 180.34 1lkd n ASP 69 N -3.95 -0.94 -0.32 0.00 5.68 -1.26 -4.79 116.55 110.97 1lkd n ASP 69 Ca -0.02 -1.60 -0.02 0.00 -0.50 0.00 0.00 54.79 52.66 1lkd n ASP 69 Cb 0.55 1.56 0.11 0.00 -1.14 0.00 0.00 41.12 42.20 1lkd n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lkd h ALA 70 N 2.00 1.13 -0.83 2.12 0.00 -1.96 -1.58 119.26 120.14 1lkd h ALA 70 Ca -0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1lkd h ALA 70 Cb 0.56 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1lkd h ALA 70 CO 0.18 0.40 0.44 0.00 0.00 0.00 0.00 179.25 180.27 1lkd h ALA 71 N 1.36 1.20 -0.58 0.00 0.00 -1.99 -0.96 119.26 118.29 1lkd h ALA 71 Ca 0.34 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1lkd h ALA 71 Cb 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1lkd h ALA 71 CO -0.11 0.63 0.09 0.78 0.00 0.00 0.00 179.25 180.63 1lkd h GLY 72 N 1.19 1.01 0.92 0.00 0.00 -1.72 -1.16 103.07 103.32 1lkd h GLY 72 Ca 0.29 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1lkd h GLY 72 CO -0.04 0.60 0.05 -2.00 0.00 0.00 0.00 176.54 175.15 1lkd h LEU 73 N 0.89 0.60 -0.86 3.11 5.85 -0.69 -2.18 115.31 122.02 1lkd h LEU 73 Ca 0.18 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1lkd h LEU 73 Cb 0.40 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1lkd h LEU 73 CO 0.01 0.72 0.49 0.00 -0.34 0.00 0.00 178.44 179.32 1lkd h ALA 74 N 0.91 1.11 -0.44 1.25 0.00 -0.91 -0.96 119.26 120.22 1lkd h ALA 74 Ca 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1lkd h ALA 74 Cb 0.38 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1lkd h ALA 74 CO 0.01 0.60 0.13 1.96 0.00 0.00 0.00 179.25 181.94 1lkd h GLN 75 N 1.20 0.68 -0.57 0.00 4.20 -1.07 -1.84 115.11 117.72 1lkd h GLN 75 Ca 0.31 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 1lkd h GLN 75 Cb 0.00 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1lkd h GLN 75 CO -0.05 0.67 0.03 0.52 -0.67 0.00 0.00 178.83 179.33 1lkd h MET 76 N 0.57 0.96 -0.81 1.46 2.86 -1.09 -0.95 114.93 117.93 1lkd h MET 76 Ca 0.14 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1lkd h MET 76 Cb 0.28 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 1lkd h MET 76 CO -0.00 0.93 0.35 0.00 1.06 0.00 0.00 176.91 179.25 1lkd h ALA 77 N 1.13 1.10 -0.31 6.32 0.00 -1.01 -0.53 119.26 125.96 1lkd h ALA 77 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1lkd h ALA 77 Cb 0.48 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1lkd h ALA 77 CO 0.02 0.66 -0.04 0.22 0.00 0.00 0.00 179.25 180.11 1lkd h ASP 78 N 1.16 0.57 -0.69 0.00 3.58 -0.99 -1.66 116.42 118.39 1lkd h ASP 78 Ca 0.27 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1lkd h ASP 78 Cb 0.17 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 1lkd h ASP 78 CO -0.03 0.77 0.43 0.50 -2.88 0.00 0.00 179.24 178.04 1lkd h LYS 79 N 0.35 0.92 -0.35 0.28 3.64 -0.85 0.40 116.57 120.96 1lkd h LYS 79 Ca 0.08 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1lkd h LYS 79 Cb 0.51 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1lkd h LYS 79 CO 0.02 0.64 0.12 -0.07 -2.27 0.00 0.00 179.45 177.89 1lkd h LEU 80 N 0.93 0.50 -0.90 5.20 3.38 -1.00 -2.16 115.31 121.27 1lkd h LEU 80 Ca 0.25 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1lkd h LEU 80 Cb -0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1lkd h LEU 80 CO -0.05 0.56 -0.29 0.11 0.09 0.00 0.00 178.44 178.86 1lkd h LYS 81 N 0.42 0.47 0.00 1.13 1.57 -1.04 -0.94 116.57 118.18 1lkd h LYS 81 Ca 0.11 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1lkd h LYS 81 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1lkd h LYS 81 CO -0.01 0.72 -0.19 1.96 -0.57 0.00 0.00 179.45 181.36 1lkd h GLN 82 N 0.41 0.00 -0.01 3.15 1.08 -0.73 -0.67 115.11 118.35 1lkd h GLN 82 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1lkd h GLN 82 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1lkd h GLN 82 CO 0.06 0.19 -0.01 0.00 -0.95 0.00 0.00 178.83 178.12 1lkd n ALA 83 N -2.50 2.65 -0.83 3.87 0.00 -0.80 -4.91 120.51 117.99 1lkd n ALA 83 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1lkd n ALA 83 Cb 0.25 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1lkd n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lkd n GLY 84 N 1.09 0.52 3.80 0.00 0.00 -0.26 -5.04 105.19 105.30 1lkd n GLY 84 Ca 0.21 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 1lkd n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lkd s ILE 85 N -2.00 4.55 -0.49 -0.61 -1.09 -0.42 -5.00 121.20 116.13 1lkd s ILE 85 Ca 0.00 1.44 -0.29 0.00 -2.23 0.00 0.00 60.65 59.58 1lkd s ILE 85 Cb 0.00 -4.00 0.02 0.00 -1.58 0.00 0.00 42.46 36.90 1lkd s ILE 85 CO 0.00 0.50 1.23 0.00 -1.23 0.00 0.00 174.94 175.43 1lkd s ALA 86 N -1.18 3.07 -0.10 9.38 0.00 -1.26 -4.21 121.76 127.45 1lkd s ALA 86 Ca 0.34 -0.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 1lkd s ALA 86 Cb -0.21 -3.95 -0.03 0.00 0.00 0.00 0.00 23.12 18.93 1lkd s ALA 86 CO 0.23 -2.43 -0.03 0.08 0.00 0.00 0.00 175.76 173.60 1lkd s VAL 87 N 4.89 4.01 -0.07 0.00 1.01 -1.26 -4.54 120.40 124.43 1lkd s VAL 87 Ca 0.50 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1lkd s VAL 87 Cb -0.09 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1lkd s VAL 87 CO 0.30 0.56 -0.20 -0.89 0.00 0.00 0.00 175.10 174.87 1lkd s THR 88 N -0.44 1.74 -0.01 3.92 2.01 -0.25 -4.96 115.64 117.65 1lkd s THR 88 Ca 0.07 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 1lkd s THR 88 Cb -0.12 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1lkd s THR 88 CO 0.02 0.49 1.20 -0.89 -0.69 0.00 0.00 174.62 174.75 1lkd s THR 89 N 0.26 4.18 0.10 -0.82 2.01 -1.26 0.14 115.64 120.25 1lkd s THR 89 Ca -0.12 1.54 -0.31 0.00 0.31 0.00 0.00 61.69 63.11 1lkd s THR 89 Cb -0.16 -3.99 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 1lkd s THR 89 CO 0.06 0.04 1.53 -0.83 -0.69 0.00 0.00 174.62 174.73 1lkd s GLY 90 N 1.34 1.70 0.88 4.40 0.00 0.50 -4.89 107.32 111.24 1lkd s GLY 90 Ca 0.57 1.19 -0.12 0.00 0.00 0.00 0.00 44.72 46.37 1lkd s GLY 90 CO 0.25 2.63 1.09 0.51 0.00 0.00 0.00 173.10 177.58 1lkd s ASP 91 N 1.65 3.61 0.41 1.64 1.47 -1.26 -4.71 116.67 119.48 1lkd s ASP 91 Ca 0.69 1.46 0.17 0.00 1.18 0.00 0.00 52.55 56.05 1lkd s ASP 91 Cb -0.39 -2.15 1.05 0.00 -0.34 0.00 0.00 42.92 41.09 1lkd s ASP 91 CO 0.31 -2.55 1.85 0.00 0.68 0.00 0.00 175.17 175.46 1lkd h ALA 92 N -1.49 2.16 -0.47 2.11 0.00 -1.99 -1.03 119.26 118.55 1lkd h ALA 92 Ca -0.49 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1lkd h ALA 92 Cb 1.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1lkd h ALA 92 CO 0.55 -0.45 0.21 1.03 0.00 0.00 0.00 179.25 180.59 1lkd h SER 93 N 0.44 0.63 -0.29 0.00 0.87 -2.00 -1.20 113.55 112.01 1lkd h SER 93 Ca 0.48 -0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 60.77 1lkd h SER 93 Cb 1.14 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1lkd h SER 93 CO -0.19 0.60 -0.29 0.25 -0.53 0.00 0.00 176.83 176.67 1lkd h LEU 94 N 0.62 0.75 -0.89 2.23 5.85 -1.57 -1.83 115.31 120.47 1lkd h LEU 94 Ca 0.16 -0.47 0.06 0.00 0.84 0.00 0.00 57.88 58.47 1lkd h LEU 94 Cb 0.15 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 1lkd h LEU 94 CO -0.02 1.07 0.56 0.00 -0.34 0.00 0.00 178.44 179.71 1lkd h ALA 95 N 0.70 1.23 -0.44 1.25 0.00 -1.19 -0.28 119.26 120.53 1lkd h ALA 95 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1lkd h ALA 95 Cb 0.86 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1lkd h ALA 95 CO 0.07 0.32 0.07 0.00 0.00 0.00 0.00 179.25 179.71 1lkd h ARG 96 N 1.02 0.73 -0.89 0.00 3.08 -1.09 0.24 114.38 117.46 1lkd h ARG 96 Ca 0.39 -0.20 0.03 0.00 0.07 0.00 0.00 59.98 60.27 1lkd h ARG 96 Cb 0.17 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1lkd h ARG 96 CO -0.17 0.76 0.58 -0.09 -1.07 0.00 0.00 179.97 179.97 1lkd h ARG 97 N 0.58 1.09 0.00 0.04 2.43 -0.40 -1.82 114.38 116.30 1lkd h ARG 97 Ca 0.13 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1lkd h ARG 97 Cb 0.38 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1lkd h ARG 97 CO 0.01 0.72 -0.32 0.54 -1.51 0.00 0.00 179.97 179.41 1lkd n ARG 98 N -4.52 0.25 -2.16 0.20 5.12 -0.21 -4.59 116.66 110.74 1lkd n ARG 98 Ca 0.11 0.13 -0.09 0.00 -1.93 0.00 0.00 57.85 56.08 1lkd n ARG 98 Cb 0.09 -1.71 -0.00 0.00 -1.16 0.00 0.00 32.46 29.67 1lkd n ARG 98 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lkd n GLY 99 N 1.34 0.02 3.70 -0.13 0.00 0.69 -4.81 105.19 106.00 1lkd n GLY 99 Ca 0.05 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 1lkd n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1lkd s VAL 100 N -2.43 2.84 0.03 1.61 -7.23 -0.31 -1.93 120.40 112.98 1lkd s VAL 100 Ca 0.00 -1.80 -0.15 0.00 -1.81 0.00 0.00 61.98 58.23 1lkd s VAL 100 Cb -0.00 -2.91 -0.35 0.00 0.56 0.00 0.00 36.38 33.68 1lkd s VAL 100 CO 0.00 -0.18 1.00 0.74 -0.31 0.00 0.00 175.10 176.35 1lkd h THR 101 N 1.64 1.29 -2.35 5.32 2.02 -0.77 -3.41 112.91 116.65 1lkd h THR 101 Ca -0.43 -2.73 -0.06 0.00 0.77 0.00 0.00 66.41 63.96 1lkd h THR 101 Cb 1.25 3.03 -0.18 0.00 -1.74 0.00 0.00 68.15 70.51 1lkd h THR 101 CO 0.65 0.82 0.13 -0.83 0.37 0.00 0.00 175.52 176.66 1lkd s GLY 102 N -4.63 -0.52 0.09 2.16 0.00 -1.17 -5.03 107.32 98.22 1lkd s GLY 102 Ca -0.09 1.01 -0.26 0.00 0.00 0.00 0.00 44.72 45.38 1lkd s GLY 102 CO 0.94 0.67 0.73 0.48 0.00 0.00 0.00 173.10 175.92 1lkd s LEU 103 N -1.54 -0.48 0.12 0.66 2.34 -1.26 -1.88 118.68 116.64 1lkd s LEU 103 Ca -0.09 -0.00 0.07 0.00 0.06 0.00 0.00 54.13 54.18 1lkd s LEU 103 Cb -0.01 2.34 -0.04 0.00 -0.56 0.00 0.00 46.19 47.93 1lkd s LEU 103 CO 0.05 -0.81 -0.18 0.27 -1.06 0.00 0.00 176.35 174.61 1lkd s ILE 104 N -3.46 1.59 0.11 1.48 -4.36 -0.44 -0.37 121.20 115.74 1lkd s ILE 104 Ca 0.03 -1.66 0.08 0.00 -0.26 0.00 0.00 60.65 58.84 1lkd s ILE 104 Cb -0.01 -1.57 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 1lkd s ILE 104 CO -0.11 -0.23 -0.19 0.42 0.24 0.00 0.00 174.94 175.07 1lkd s THR 105 N -1.64 1.64 0.11 8.37 -4.23 0.12 -2.06 115.64 117.96 1lkd s THR 105 Ca 0.09 -1.60 -0.17 0.00 -1.18 0.00 0.00 61.69 58.83 1lkd s THR 105 Cb -0.08 -1.55 0.06 0.00 1.34 0.00 0.00 72.50 72.27 1lkd s THR 105 CO 0.04 -0.15 0.79 2.22 -0.54 0.00 0.00 174.62 176.99 1lkd n PHE 106 N 0.92 -1.02 -4.22 3.99 -1.74 -0.66 -1.09 117.46 113.63 1lkd n PHE 106 Ca -0.18 -0.88 -0.19 0.00 -0.56 0.00 0.00 57.45 55.64 1lkd n PHE 106 Cb 0.54 0.42 -0.12 0.00 1.52 0.00 0.00 39.48 41.85 1lkd n PHE 106 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1lkd s ALA 107 N -1.76 1.43 0.89 1.98 0.00 -1.26 0.48 121.76 123.52 1lkd s ALA 107 Ca 0.18 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 1lkd s ALA 107 Cb -0.02 -0.10 0.14 0.00 0.00 0.00 0.00 23.12 23.14 1lkd s ALA 107 CO 0.03 0.16 1.23 0.16 0.00 0.00 0.00 175.76 177.34 1lkd s ASP 108 N -2.15 3.73 0.64 0.00 1.47 -0.55 -4.89 116.67 114.92 1lkd s ASP 108 Ca 0.05 0.59 0.25 0.00 1.18 0.00 0.00 52.55 54.62 1lkd s ASP 108 Cb -0.07 -0.90 1.28 0.00 -0.34 0.00 0.00 42.92 42.88 1lkd s ASP 108 CO 0.03 -2.38 1.72 -0.65 0.68 0.00 0.00 175.17 174.57 1lkd h PRO 109 N -1.39 0.00 -0.24 2.11 0.11 -1.94 -2.08 132.00 128.57 1lkd h PRO 109 Ca -0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1lkd h PRO 109 Cb 1.29 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 1lkd h PRO 109 CO 0.53 0.00 -0.06 1.19 -0.21 0.00 0.00 178.00 179.45 1lkd n PHE 110 N -3.09 0.79 -0.15 0.65 3.72 -1.26 -4.99 117.46 113.13 1lkd n PHE 110 Ca 0.03 -1.23 0.00 0.00 -0.05 0.00 0.00 57.45 56.20 1lkd n PHE 110 Cb 0.65 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1lkd n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1lkd n GLY 111 N -0.95 0.93 3.67 1.37 0.00 -0.78 -5.04 105.19 104.38 1lkd n GLY 111 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1lkd n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lkd s LEU 112 N 0.00 4.27 0.07 0.99 2.96 -1.26 -4.77 118.68 120.94 1lkd s LEU 112 Ca 0.00 2.02 -0.31 0.00 -0.22 0.00 0.00 54.13 55.62 1lkd s LEU 112 Cb 0.00 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.07 1lkd s LEU 112 CO 0.00 -0.81 1.45 -2.84 -1.32 0.00 0.00 176.35 172.82 1lkd s PRO 113 N 3.40 4.28 0.18 0.98 0.02 -1.26 -1.48 135.00 141.13 1lkd s PRO 113 Ca 0.65 2.10 0.09 0.00 0.02 0.00 0.00 61.00 63.85 1lkd s PRO 113 Cb -0.29 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 30.78 1lkd s PRO 113 CO 0.24 -0.54 -0.19 -0.51 -0.33 0.00 0.00 177.00 175.66 1lkd s LEU 114 N 1.79 2.46 0.00 -5.54 1.43 0.18 -2.78 118.68 116.22 1lkd s LEU 114 Ca 0.66 -0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1lkd s LEU 114 Cb -0.36 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 1lkd s LEU 114 CO 0.29 -0.01 0.02 -1.61 0.23 0.00 0.00 176.35 175.27 1lkd s GLU 115 N -2.90 0.20 -0.08 1.70 2.02 -0.31 -1.66 118.70 117.67 1lkd s GLU 115 Ca 0.18 -0.28 0.03 0.00 0.02 0.00 0.00 54.97 54.93 1lkd s GLU 115 Cb -0.06 0.08 0.01 0.00 0.10 0.00 0.00 34.13 34.26 1lkd s GLU 115 CO 0.08 -0.04 -0.19 0.42 0.02 0.00 0.00 175.26 175.56 1lkd s ILE 116 N -0.76 1.64 0.25 -1.63 1.01 -0.87 0.23 121.20 121.06 1lkd s ILE 116 Ca -0.08 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1lkd s ILE 116 Cb -0.05 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1lkd s ILE 116 CO -0.00 0.47 0.21 -0.72 0.00 0.00 0.00 174.94 174.89 1lkd s TYR 117 N 0.49 1.28 0.08 3.97 1.13 -0.26 -1.33 117.35 122.72 1lkd s TYR 117 Ca -0.17 -1.42 -0.07 0.00 -1.41 0.00 0.00 57.07 54.00 1lkd s TYR 117 Cb -0.17 -0.54 -0.01 0.00 -1.10 0.00 0.00 41.96 40.14 1lkd s TYR 117 CO 0.07 -0.75 0.15 1.52 -2.51 0.00 0.00 175.55 174.03 1lkd s TYR 118 N -3.90 0.23 -0.84 -3.49 1.13 -0.79 -0.92 117.35 108.76 1lkd s TYR 118 Ca 0.38 -0.68 -0.01 0.00 -1.41 0.00 0.00 57.07 55.35 1lkd s TYR 118 Cb 0.05 -0.13 0.00 0.00 -1.10 0.00 0.00 41.96 40.78 1lkd s TYR 118 CO 0.17 -0.51 0.71 0.41 -2.51 0.00 0.00 175.55 173.81 1lkd n GLY 119 N -0.03 -0.11 3.74 5.49 0.00 -1.26 -2.10 105.19 110.91 1lkd n GLY 119 Ca -0.15 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1lkd n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lkd s ALA 120 N -3.25 1.69 -0.09 4.61 0.00 -1.26 -1.71 121.76 121.75 1lkd s ALA 120 Ca 0.03 -0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.61 1lkd s ALA 120 Cb -0.01 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1lkd s ALA 120 CO 0.51 -2.24 0.57 -1.12 0.00 0.00 0.00 175.76 173.49 1lkd s SER 121 N -3.61 6.83 0.04 0.00 0.01 -0.81 -4.93 113.70 111.22 1lkd s SER 121 Ca 0.63 0.99 -0.00 0.00 1.31 0.00 0.00 55.95 58.88 1lkd s SER 121 Cb -0.17 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 1lkd s SER 121 CO 0.56 -0.04 0.17 -1.61 0.41 0.00 0.00 173.24 172.73 1lkd s GLU 122 N 0.63 3.31 -0.38 12.44 0.41 -1.26 -1.04 118.70 132.80 1lkd s GLU 122 Ca 0.31 -0.46 0.12 0.00 -0.41 0.00 0.00 54.97 54.54 1lkd s GLU 122 Cb -0.16 -2.98 0.38 0.00 -1.78 0.00 0.00 34.13 29.58 1lkd s GLU 122 CO 0.14 0.62 0.82 1.33 -0.49 0.00 0.00 175.26 177.68 1lkd n VAL 123 N 0.57 0.53 0.30 2.63 0.24 0.47 -4.77 118.33 118.30 1lkd n VAL 123 Ca -0.08 -4.34 0.16 0.00 -2.04 0.00 0.00 64.34 58.04 1lkd n VAL 123 Cb 0.52 -0.19 0.93 0.00 -1.47 0.00 0.00 33.84 33.63 1lkd n VAL 123 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1lkd h PHE 124 N 2.98 0.00 0.00 6.34 0.04 -1.97 -0.82 116.94 123.51 1lkd h PHE 124 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1lkd h PHE 124 Cb 0.97 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.12 1lkd h PHE 124 CO 0.52 0.01 0.00 -0.85 -0.60 0.00 0.00 178.31 177.40 1lkd n GLU 125 N -3.72 0.19 -3.56 1.51 0.00 -1.26 -3.40 120.64 110.40 1lkd n GLU 125 Ca -0.03 0.11 -0.27 0.00 0.00 0.00 0.00 57.16 56.98 1lkd n GLU 125 Cb 0.10 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 29.95 1lkd n GLU 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1lkd n LYS 126 N -1.36 2.00 -1.58 3.44 5.02 -0.31 -5.09 118.16 120.29 1lkd n LYS 126 Ca 0.08 -4.40 -0.55 0.00 -2.02 0.00 0.00 58.31 51.42 1lkd n LYS 126 Cb 0.19 -2.14 -0.07 0.00 -0.02 0.00 0.00 35.03 32.99 1lkd n LYS 126 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1lkd n PRO 127 N 1.38 0.81 -1.68 1.97 -0.04 -1.22 -4.85 135.00 131.38 1lkd n PRO 127 Ca 0.26 0.29 -0.45 0.00 -0.04 0.00 0.00 63.50 63.56 1lkd n PRO 127 Cb 0.40 -1.90 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 1lkd n PRO 127 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1lkd n PHE 128 N 2.46 2.31 -3.73 0.54 7.35 -1.26 -4.99 117.46 120.15 1lkd n PHE 128 Ca 0.20 0.30 -0.28 0.00 -0.76 0.00 0.00 57.45 56.91 1lkd n PHE 128 Cb 0.15 -2.53 -0.16 0.00 0.35 0.00 0.00 39.48 37.28 1lkd n PHE 128 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1lkd s LEU 129 N 0.62 1.14 0.63 -2.13 2.96 -1.26 -5.11 118.68 115.53 1lkd s LEU 129 Ca 0.75 -0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 53.66 1lkd s LEU 129 Cb -0.65 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 1lkd s LEU 129 CO 0.41 -0.31 1.22 -2.16 -1.32 0.00 0.00 176.35 174.19 1lkd s PRO 130 N 1.87 2.74 0.00 0.98 0.04 -1.26 -4.45 135.00 134.92 1lkd s PRO 130 Ca -0.01 1.83 0.25 0.00 0.04 0.00 0.00 61.00 63.12 1lkd s PRO 130 Cb -0.17 -1.90 1.11 0.00 0.04 0.00 0.00 34.50 33.58 1lkd s PRO 130 CO -0.08 -1.39 1.82 0.41 0.04 0.00 0.00 177.00 177.79 1lkd n GLY 131 N 0.50 -1.33 3.40 0.56 0.00 -0.78 -4.82 105.19 102.73 1lkd n GLY 131 Ca 0.14 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1lkd n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lkd s ALA 132 N -2.93 0.56 -0.78 4.61 0.00 -1.21 -4.41 121.76 117.60 1lkd s ALA 132 Ca 0.14 -1.35 -0.25 0.00 0.00 0.00 0.00 51.96 50.50 1lkd s ALA 132 Cb 0.17 1.23 -0.04 0.00 0.00 0.00 0.00 23.12 24.48 1lkd s ALA 132 CO 0.45 -0.73 1.92 0.00 0.00 0.00 0.00 175.76 177.40 1lkd s ALA 133 N -3.94 1.85 -0.06 0.00 0.00 -1.26 -4.81 121.76 113.54 1lkd s ALA 133 Ca 0.31 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1lkd s ALA 133 Cb 0.03 -4.46 0.02 0.00 0.00 0.00 0.00 23.12 18.71 1lkd s ALA 133 CO 0.12 -4.47 -0.04 0.08 0.00 0.00 0.00 175.76 171.46 1lkd s VAL 134 N 9.76 0.60 0.35 0.00 1.01 -1.26 -4.84 120.40 126.01 1lkd s VAL 134 Ca 0.69 -0.09 0.29 0.00 0.00 0.00 0.00 61.98 62.87 1lkd s VAL 134 Cb -0.09 -0.66 0.31 0.00 0.00 0.00 0.00 36.38 35.94 1lkd s VAL 134 CO 0.08 0.27 2.05 0.77 0.00 0.00 0.00 175.10 178.26 1lkd h SER 135 N 7.69 0.00 -0.18 3.32 4.64 -1.96 -3.46 113.55 123.59 1lkd h SER 135 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1lkd h SER 135 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1lkd h SER 135 CO 0.39 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 1lkd n GLY 136 N -0.48 3.28 3.72 -0.77 0.00 -1.26 -4.95 105.19 104.73 1lkd n GLY 136 Ca -0.01 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1lkd n GLY 136 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lkd s PHE 137 N -2.00 3.07 -0.35 1.61 0.40 -1.26 -0.62 117.98 118.83 1lkd s PHE 137 Ca 0.00 0.02 -0.15 0.00 -0.60 0.00 0.00 56.93 56.20 1lkd s PHE 137 Cb 0.00 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.95 1lkd s PHE 137 CO 0.00 0.50 0.33 -1.17 0.70 0.00 0.00 175.22 175.58 1lkd s LEU 138 N -2.33 4.54 0.00 -0.37 2.96 0.24 -4.81 118.68 118.91 1lkd s LEU 138 Ca 0.27 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 1lkd s LEU 138 Cb -0.12 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.30 1lkd s LEU 138 CO 0.20 -0.34 0.00 0.35 -1.32 0.00 0.00 176.35 175.24 1lkd n THR 139 N 5.21 0.00 -3.03 3.68 -2.24 -1.26 -4.63 114.28 112.01 1lkd n THR 139 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1lkd n THR 139 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1lkd n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lkd n GLY 140 N 2.02 2.73 0.02 3.38 0.00 -1.26 -1.31 105.19 110.77 1lkd n GLY 140 Ca 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.78 1lkd n GLY 140 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1lkd n GLU 141 N 14.00 0.03 0.00 1.61 0.28 -1.26 -1.78 120.64 133.52 1lkd n GLU 141 Ca 0.00 0.39 0.13 0.00 -0.16 0.00 0.00 57.16 57.52 1lkd n GLU 141 Cb 0.00 -1.57 0.36 0.00 1.43 0.00 0.00 31.44 31.66 1lkd n GLU 141 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1lkd n GLN 142 N -1.62 1.43 0.00 3.44 6.02 -0.43 -4.72 117.38 121.51 1lkd n GLN 142 Ca 0.02 -0.95 0.00 0.00 -0.01 0.00 0.00 57.00 56.06 1lkd n GLN 142 Cb 0.10 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.88 1lkd n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1lkd n GLY 143 N 1.28 -0.86 0.35 1.08 0.00 -0.73 -4.30 105.19 102.00 1lkd n GLY 143 Ca 0.15 -1.15 -0.05 0.00 0.00 0.00 0.00 46.02 44.97 1lkd n GLY 143 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1lkd h LEU 144 N 0.00 1.10 0.00 0.99 5.85 -1.53 -3.38 115.31 118.34 1lkd h LEU 144 Ca 0.00 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1lkd h LEU 144 Cb 0.00 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.74 1lkd h LEU 144 CO 0.00 0.95 0.00 0.61 -0.34 0.00 0.00 178.44 179.66 1lkd n GLY 145 N -0.95 0.08 3.49 3.75 0.00 -1.26 -4.59 105.19 105.71 1lkd n GLY 145 Ca 0.08 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 1lkd n GLY 145 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1lkd s HIS 146 N -1.49 0.50 0.07 1.61 -3.43 -1.17 -4.57 115.29 106.81 1lkd s HIS 146 Ca 0.00 -0.84 -0.11 0.00 -0.80 0.00 0.00 55.06 53.31 1lkd s HIS 146 Cb 0.00 0.03 0.01 0.00 -1.43 0.00 0.00 32.58 31.19 1lkd s HIS 146 CO 0.00 -0.90 0.23 -0.59 -2.00 0.00 0.00 174.74 171.48 1lkd s PHE 147 N -4.04 0.03 -0.31 0.38 -0.12 -1.17 0.83 117.98 113.58 1lkd s PHE 147 Ca 0.25 -0.32 -0.07 0.00 -0.05 0.00 0.00 56.93 56.74 1lkd s PHE 147 Cb 0.01 0.01 0.02 0.00 -0.63 0.00 0.00 43.02 42.43 1lkd s PHE 147 CO 0.09 -0.51 0.09 0.08 -0.05 0.00 0.00 175.22 174.92 1lkd s VAL 148 N -3.15 3.92 -0.23 -2.49 1.01 -0.55 -2.05 120.40 116.86 1lkd s VAL 148 Ca -0.01 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 1lkd s VAL 148 Cb 0.01 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1lkd s VAL 148 CO -0.07 -0.01 0.95 -0.60 0.00 0.00 0.00 175.10 175.37 1lkd s ARG 149 N 1.47 4.23 -0.13 2.72 6.06 0.22 -1.36 118.95 132.16 1lkd s ARG 149 Ca 0.01 1.19 -0.21 0.00 -2.50 0.00 0.00 55.73 54.22 1lkd s ARG 149 Cb -0.18 -3.64 -0.03 0.00 0.06 0.00 0.00 34.95 31.16 1lkd s ARG 149 CO 0.03 -0.57 0.63 0.00 -2.50 0.00 0.00 175.30 172.89 1lkd s VAL 151 N 1.25 0.75 -0.06 0.00 -7.23 -0.43 -4.81 120.40 109.87 1lkd s VAL 151 Ca 0.32 -1.99 0.13 0.00 -1.81 0.00 0.00 61.98 58.63 1lkd s VAL 151 Cb -0.16 -2.07 -0.09 0.00 0.56 0.00 0.00 36.38 34.61 1lkd s VAL 151 CO 0.13 -0.53 1.14 -0.65 -0.31 0.00 0.00 175.10 174.89 1lkd h PRO 152 N 2.71 0.00 -2.92 4.82 0.11 -1.94 -3.34 132.00 131.45 1lkd h PRO 152 Ca -0.37 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.20 1lkd h PRO 152 Cb 1.20 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.91 1lkd h PRO 152 CO 0.63 0.57 -0.78 0.34 -0.21 0.00 0.00 178.00 178.55 1lkd s ASP 153 N -6.30 3.59 0.36 -2.05 -1.08 -1.26 -4.97 116.67 104.96 1lkd s ASP 153 Ca 0.00 -1.45 0.05 0.00 -0.52 0.00 0.00 52.55 50.63 1lkd s ASP 153 Cb 0.09 -0.46 0.70 0.00 -1.46 0.00 0.00 42.92 41.78 1lkd s ASP 153 CO 0.79 -0.42 1.97 0.28 0.52 0.00 0.00 175.17 178.31 1lkd h SER 154 N 8.21 0.54 -0.55 -0.34 0.02 -1.92 -2.26 113.55 117.26 1lkd h SER 154 Ca -0.16 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1lkd h SER 154 Cb 1.01 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1lkd h SER 154 CO 0.43 0.48 0.26 0.44 -1.14 0.00 0.00 176.83 177.30 1lkd h ASP 155 N 0.61 0.72 -0.45 3.07 3.32 -1.98 0.31 116.42 122.01 1lkd h ASP 155 Ca 0.15 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1lkd h ASP 155 Cb 0.09 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1lkd h ASP 155 CO -0.02 0.65 -0.14 0.50 -1.72 0.00 0.00 179.24 178.51 1lkd h LYS 156 N 0.73 0.88 -0.32 3.56 3.64 -1.94 -1.71 116.57 121.41 1lkd h LYS 156 Ca 0.19 -0.35 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 1lkd h LYS 156 Cb 0.13 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1lkd h LYS 156 CO -0.02 1.00 0.01 0.00 -2.27 0.00 0.00 179.45 178.17 1lkd h ALA 157 N 0.86 0.43 -0.68 5.00 0.00 -1.17 -2.57 119.26 121.12 1lkd h ALA 157 Ca 0.11 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1lkd h ALA 157 Cb 0.69 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1lkd h ALA 157 CO 0.05 0.17 0.43 1.25 0.00 0.00 0.00 179.25 181.15 1lkd h LEU 158 N 0.36 0.70 -1.10 0.00 5.85 -0.31 -1.59 115.31 119.22 1lkd h LEU 158 Ca 0.09 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1lkd h LEU 158 Cb 0.42 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1lkd h LEU 158 CO 0.01 0.49 0.27 0.00 -0.34 0.00 0.00 178.44 178.87 1lkd h ALA 159 N 1.29 1.30 0.19 1.25 0.00 -1.19 -0.31 119.26 121.79 1lkd h ALA 159 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1lkd h ALA 159 Cb 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1lkd h ALA 159 CO -0.10 0.53 -0.09 0.35 0.00 0.00 0.00 179.25 179.94 1lkd h PHE 160 N 0.89 -0.24 -0.06 0.00 3.57 -1.02 0.84 116.94 120.92 1lkd h PHE 160 Ca 0.21 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1lkd h PHE 160 Cb 0.14 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1lkd h PHE 160 CO 0.01 0.16 -0.22 1.88 -2.23 0.00 0.00 178.31 177.91 1lkd h TYR 161 N -0.73 0.11 0.00 0.41 0.05 -1.25 -0.89 116.97 114.68 1lkd h TYR 161 Ca -0.03 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1lkd h TYR 161 Cb 0.50 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 1lkd h TYR 161 CO 0.06 0.32 -0.32 1.15 -1.05 0.00 0.00 178.16 178.32 1lkd h THR 162 N 0.10 0.02 -0.32 -2.88 2.02 -1.09 -0.08 112.91 110.68 1lkd h THR 162 Ca 0.02 -1.02 -0.11 0.00 0.77 0.00 0.00 66.41 66.06 1lkd h THR 162 Cb 0.44 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1lkd h THR 162 CO 0.03 0.01 -0.27 0.44 0.37 0.00 0.00 175.52 176.10 1lkd h ASP 163 N -1.00 0.66 0.00 4.18 3.32 -0.92 -2.29 116.42 120.37 1lkd h ASP 163 Ca -0.00 -0.24 -0.24 0.00 0.02 0.00 0.00 57.03 56.56 1lkd h ASP 163 Cb 0.33 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1lkd h ASP 163 CO -0.00 0.90 -1.54 0.52 -1.72 0.00 0.00 179.24 177.40 1lkd n VAL 164 N -4.10 1.51 0.84 -1.35 0.31 -0.41 -4.55 118.33 110.59 1lkd n VAL 164 Ca -0.00 -0.08 0.13 0.00 -0.01 0.00 0.00 64.34 64.37 1lkd n VAL 164 Cb 0.44 -2.09 0.45 0.00 -0.91 0.00 0.00 33.84 31.73 1lkd n VAL 164 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1lkd n LEU 165 N -4.41 0.40 0.00 7.52 4.77 -0.80 -4.80 117.00 119.68 1lkd n LEU 165 Ca -0.33 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1lkd n LEU 165 Cb 0.66 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1lkd n LEU 165 CO 0.12 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1lkd n GLY 166 N 1.42 0.61 3.76 -0.72 0.00 -0.86 -4.59 105.19 104.81 1lkd n GLY 166 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1lkd n GLY 166 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lkd s PHE 167 N -2.03 2.48 0.02 1.61 0.40 -0.09 -4.94 117.98 115.43 1lkd s PHE 167 Ca 0.00 1.54 0.07 0.00 -0.60 0.00 0.00 56.93 57.94 1lkd s PHE 167 Cb 0.00 -3.35 -0.03 0.00 0.51 0.00 0.00 43.02 40.15 1lkd s PHE 167 CO 0.00 -1.95 -0.19 -0.65 0.70 0.00 0.00 175.22 173.13 1lkd s GLN 168 N -3.58 2.12 0.14 0.44 -1.52 -0.11 -4.32 119.66 112.83 1lkd s GLN 168 Ca 0.73 -0.94 -0.30 0.00 -1.95 0.00 0.00 55.36 52.89 1lkd s GLN 168 Cb -0.26 -2.19 -0.07 0.00 -0.22 0.00 0.00 33.01 30.27 1lkd s GLN 168 CO 0.35 0.55 1.21 -1.17 -0.25 0.00 0.00 175.29 175.98 1lkd s LEU 169 N -1.25 4.42 -0.18 2.90 2.96 -1.26 -0.04 118.68 126.24 1lkd s LEU 169 Ca 0.14 2.17 -0.16 0.00 -0.22 0.00 0.00 54.13 56.06 1lkd s LEU 169 Cb -0.10 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 1lkd s LEU 169 CO 0.04 -0.41 -0.30 -1.20 -1.32 0.00 0.00 176.35 173.16 1lkd n SER 170 N 3.00 1.91 -3.27 3.68 7.64 0.91 -4.80 113.62 122.68 1lkd n SER 170 Ca 0.06 0.41 -0.06 0.00 1.01 0.00 0.00 58.87 60.29 1lkd n SER 170 Cb 0.45 -0.78 0.01 0.00 -1.01 0.00 0.00 64.21 62.88 1lkd n SER 170 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1lkd s ASP 171 N -5.97 -0.04 -0.00 6.43 1.47 -1.19 -3.76 116.67 113.61 1lkd s ASP 171 Ca -0.26 -0.84 0.05 0.00 1.18 0.00 0.00 52.55 52.67 1lkd s ASP 171 Cb 0.04 0.68 -0.01 0.00 -0.34 0.00 0.00 42.92 43.29 1lkd s ASP 171 CO 0.38 -1.33 -0.14 -0.69 0.68 0.00 0.00 175.17 174.07 1lkd s VAL 172 N -2.55 1.14 -0.13 2.11 1.01 -0.86 -1.68 120.40 119.45 1lkd s VAL 172 Ca 0.17 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1lkd s VAL 172 Cb -0.04 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1lkd s VAL 172 CO 0.08 0.28 -0.14 -0.63 0.00 0.00 0.00 175.10 174.69 1lkd s ILE 173 N -0.41 1.47 -0.69 2.22 1.01 -0.49 -0.54 121.20 123.77 1lkd s ILE 173 Ca 0.05 -0.59 -0.23 0.00 0.00 0.00 0.00 60.65 59.88 1lkd s ILE 173 Cb -0.06 -1.38 0.07 0.00 0.01 0.00 0.00 42.46 41.09 1lkd s ILE 173 CO -0.00 0.44 1.03 -1.81 0.00 0.00 0.00 174.94 174.60 1lkd s ASP 174 N 1.38 6.20 -0.18 3.58 1.01 -0.41 -0.56 116.67 127.68 1lkd s ASP 174 Ca 0.02 -0.97 -0.29 0.00 0.71 0.00 0.00 52.55 52.01 1lkd s ASP 174 Cb -0.13 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1lkd s ASP 174 CO -0.08 -1.49 1.35 -0.04 0.21 0.00 0.00 175.17 175.12 1lkd s MET 175 N 4.27 4.13 -0.21 8.23 -1.94 0.68 -4.57 119.30 129.88 1lkd s MET 175 Ca 0.25 1.65 -0.29 0.00 -1.71 0.00 0.00 55.69 55.59 1lkd s MET 175 Cb -0.15 -3.84 0.00 0.00 2.01 0.00 0.00 34.83 32.86 1lkd s MET 175 CO 0.09 -0.86 1.10 0.15 -0.01 0.00 0.00 175.02 175.50 1lkd s LYS 176 N 3.80 4.25 -0.43 2.03 1.02 -1.26 -1.20 119.74 127.95 1lkd s LYS 176 Ca 0.59 1.45 0.09 0.00 0.02 0.00 0.00 55.97 58.12 1lkd s LYS 176 Cb -0.22 -3.67 0.40 0.00 -0.52 0.00 0.00 37.83 33.81 1lkd s LYS 176 CO 0.19 -0.65 0.97 -1.33 -0.92 0.00 0.00 175.35 173.62 1lkd n MET 177 N 6.39 2.42 0.00 1.68 2.81 0.14 -4.99 117.12 125.56 1lkd n MET 177 Ca 0.12 -4.09 0.00 0.00 -1.81 0.00 0.00 57.70 51.92 1lkd n MET 177 Cb 0.46 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 1lkd n MET 177 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1lkd n GLY 178 N -0.20 2.98 0.48 3.03 0.00 -1.21 -4.22 105.19 106.05 1lkd n GLY 178 Ca 0.27 -1.81 0.30 0.00 0.00 0.00 0.00 46.02 44.79 1lkd n GLY 178 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1lkd h PRO 179 N 0.00 0.03 -0.30 1.61 0.11 -2.03 -0.47 132.00 130.96 1lkd h PRO 179 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1lkd h PRO 179 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1lkd h PRO 179 CO 0.00 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 177.56 1lkd n ASP 180 N -4.27 3.08 -3.81 -2.05 8.00 -1.26 -4.96 116.55 111.28 1lkd n ASP 180 Ca 0.21 -2.26 -0.23 0.00 0.71 0.00 0.00 54.79 53.22 1lkd n ASP 180 Cb 1.03 -0.29 -0.17 0.00 -0.02 0.00 0.00 41.12 41.66 1lkd n ASP 180 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1lkd s VAL 181 N -1.46 0.48 -0.04 2.53 1.01 -0.18 -5.08 120.40 117.65 1lkd s VAL 181 Ca 0.26 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1lkd s VAL 181 Cb 0.17 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.98 1lkd s VAL 181 CO 0.13 0.27 0.06 -0.89 0.00 0.00 0.00 175.10 174.67 1lkd s THR 182 N 1.77 -0.11 -0.06 3.92 2.01 -1.26 0.23 115.64 122.14 1lkd s THR 182 Ca 0.02 0.41 0.06 0.00 0.31 0.00 0.00 61.69 62.49 1lkd s THR 182 Cb -0.13 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 1lkd s THR 182 CO -0.05 0.17 -0.24 0.54 -0.69 0.00 0.00 174.62 174.35 1lkd s VAL 183 N 2.09 2.11 0.15 3.82 0.11 -0.34 -4.91 120.40 123.43 1lkd s VAL 183 Ca 0.04 -1.04 -0.29 0.00 -2.93 0.00 0.00 61.98 57.76 1lkd s VAL 183 Cb -0.12 -1.77 -0.07 0.00 -1.53 0.00 0.00 36.38 32.89 1lkd s VAL 183 CO -0.03 0.57 0.90 -2.16 -3.33 0.00 0.00 175.10 171.05 1lkd s PRO 184 N -0.10 4.70 -0.15 1.54 0.04 -1.26 -0.23 135.00 139.54 1lkd s PRO 184 Ca -0.05 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.34 1lkd s PRO 184 Cb -0.14 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 1lkd s PRO 184 CO 0.04 0.37 -0.11 0.00 0.04 0.00 0.00 177.00 177.35 1lkd s ALA 185 N -0.55 2.67 -0.17 8.56 0.00 0.27 -4.43 121.76 128.11 1lkd s ALA 185 Ca 0.42 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 1lkd s ALA 185 Cb -0.24 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1lkd s ALA 185 CO 0.29 0.12 0.05 0.71 0.00 0.00 0.00 175.76 176.93 1lkd s TYR 186 N 0.55 3.24 -0.20 0.00 2.02 0.06 -1.39 117.35 121.63 1lkd s TYR 186 Ca -0.07 0.07 -0.03 0.00 -0.37 0.00 0.00 57.07 56.66 1lkd s TYR 186 Cb -0.15 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.36 1lkd s TYR 186 CO 0.03 0.19 -0.06 -0.06 -1.57 0.00 0.00 175.55 174.09 1lkd s PHE 187 N 0.18 2.94 0.01 2.71 0.40 -0.68 -0.51 117.98 123.03 1lkd s PHE 187 Ca 0.04 -0.80 0.08 0.00 -0.60 0.00 0.00 56.93 55.65 1lkd s PHE 187 Cb -0.12 -2.04 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 1lkd s PHE 187 CO 0.01 -0.42 -0.25 -0.51 0.70 0.00 0.00 175.22 174.75 1lkd s LEU 188 N 1.13 2.19 0.27 -0.37 1.43 0.49 -0.06 118.68 123.75 1lkd s LEU 188 Ca 0.02 -0.49 0.11 0.00 -1.03 0.00 0.00 54.13 52.73 1lkd s LEU 188 Cb -0.15 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 1lkd s LEU 188 CO -0.01 0.29 -0.10 -1.38 0.23 0.00 0.00 176.35 175.38 1lkd s HIS 189 N -0.72 2.50 0.00 0.29 -3.43 0.95 -0.61 115.29 114.27 1lkd s HIS 189 Ca 0.11 -0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.10 1lkd s HIS 189 Cb -0.10 -1.10 0.00 0.00 -1.43 0.00 0.00 32.58 29.95 1lkd s HIS 189 CO 0.01 0.66 0.23 0.00 -2.00 0.00 0.00 174.74 173.65 1lkd n ASN 191 N -0.01 0.00 0.28 0.00 0.23 -1.26 -4.62 115.26 109.88 1lkd n ASN 191 Ca 0.00 -0.19 0.16 0.00 -0.53 0.00 0.00 54.58 54.02 1lkd n ASN 191 Cb 0.34 0.00 0.79 0.00 -2.08 0.00 0.00 39.78 38.83 1lkd n ASN 191 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1lkd h GLU 192 N 0.00 0.00 -6.60 -3.83 5.08 -1.85 -3.44 114.58 103.94 1lkd h GLU 192 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1lkd h GLU 192 Cb 0.00 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.30 1lkd h GLU 192 CO 0.00 0.07 0.94 0.50 -1.00 0.00 0.00 179.01 179.52 1lkd s ARG 193 N -3.95 4.18 0.29 2.33 3.52 -1.26 -0.84 118.95 123.21 1lkd s ARG 193 Ca -0.02 2.45 -0.01 0.00 -0.13 0.00 0.00 55.73 58.02 1lkd s ARG 193 Cb 0.11 -3.19 0.64 0.00 -1.56 0.00 0.00 34.95 30.95 1lkd s ARG 193 CO 0.54 -0.68 1.60 1.25 -0.81 0.00 0.00 175.30 177.20 1lkd h HIS 194 N 7.02 -0.01 -2.79 5.12 -0.00 -1.85 -3.40 115.15 119.24 1lkd h HIS 194 Ca -0.43 0.06 -0.12 0.00 -0.00 0.00 0.00 60.37 59.88 1lkd h HIS 194 Cb 1.20 0.15 -0.24 0.00 -0.00 0.00 0.00 27.41 28.53 1lkd h HIS 194 CO 0.66 -0.34 -0.25 -3.38 -0.00 0.00 0.00 177.93 174.62 1lkd s HIS 195 N -6.04 -0.42 -0.07 5.26 0.00 -1.26 -4.09 115.29 108.66 1lkd s HIS 195 Ca -0.13 1.02 0.14 0.00 -3.00 0.00 0.00 55.06 53.09 1lkd s HIS 195 Cb 0.26 0.15 -0.20 0.00 -4.00 0.00 0.00 32.58 28.79 1lkd s HIS 195 CO 0.77 -0.22 0.32 2.41 -1.00 0.00 0.00 174.74 177.02 1lkd n THR 196 N 2.77 0.00 -3.76 -5.38 -1.04 0.22 -4.58 114.28 102.51 1lkd n THR 196 Ca -0.14 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.05 61.45 1lkd n THR 196 Cb 0.57 0.27 -0.11 0.00 -1.82 0.00 0.00 70.33 69.24 1lkd n THR 196 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1lkd s LEU 197 N -3.82 0.79 0.11 -4.42 2.96 -1.09 -3.04 118.68 110.17 1lkd s LEU 197 Ca -0.04 0.62 0.09 0.00 -0.22 0.00 0.00 54.13 54.57 1lkd s LEU 197 Cb 0.09 1.03 -0.04 0.00 0.50 0.00 0.00 46.19 47.78 1lkd s LEU 197 CO 0.56 -0.11 -0.21 0.00 -1.32 0.00 0.00 176.35 175.27 1lkd s ALA 198 N 0.26 1.89 -0.04 5.97 0.00 -0.87 -0.38 121.76 128.59 1lkd s ALA 198 Ca -0.01 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.68 1lkd s ALA 198 Cb -0.03 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1lkd s ALA 198 CO -0.01 0.37 -0.09 0.42 0.00 0.00 0.00 175.76 176.46 1lkd s ILE 199 N -1.21 0.86 -0.00 0.00 1.01 0.33 -0.61 121.20 121.57 1lkd s ILE 199 Ca 0.08 -0.36 -0.26 0.00 0.00 0.00 0.00 60.65 60.11 1lkd s ILE 199 Cb -0.10 -0.79 0.06 0.00 0.01 0.00 0.00 42.46 41.64 1lkd s ILE 199 CO 0.05 0.28 0.59 0.00 0.00 0.00 0.00 174.94 175.86 1lkd s ALA 200 N 0.48 -1.53 -1.13 9.38 0.00 -0.99 -0.76 121.76 127.21 1lkd s ALA 200 Ca -0.08 0.96 -0.08 0.00 0.00 0.00 0.00 51.96 52.75 1lkd s ALA 200 Cb -0.12 0.18 0.26 0.00 0.00 0.00 0.00 23.12 23.44 1lkd s ALA 200 CO 0.01 -0.42 1.32 0.00 0.00 0.00 0.00 175.76 176.68 1lkd n ALA 201 N 0.72 4.54 -2.62 0.00 0.00 -1.25 -1.32 120.51 120.58 1lkd n ALA 201 Ca -0.19 -4.62 -0.29 0.00 0.00 0.00 0.00 53.44 48.34 1lkd n ALA 201 Cb 0.58 -2.55 -0.04 0.00 0.00 0.00 0.00 19.45 17.45 1lkd n ALA 201 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1lkd s PHE 202 N -1.20 3.47 -1.46 0.00 0.08 -1.26 -4.97 117.98 112.64 1lkd s PHE 202 Ca 0.33 0.54 -0.10 0.00 0.12 0.00 0.00 56.93 57.82 1lkd s PHE 202 Cb -0.03 -2.01 0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1lkd s PHE 202 CO -0.01 0.29 2.44 -0.35 -0.10 0.00 0.00 175.22 177.49 1lkd n PRO 203 N -0.62 3.57 -4.91 0.24 -0.04 -1.26 -4.81 135.00 127.16 1lkd n PRO 203 Ca -0.03 -2.78 -0.29 0.00 -0.04 0.00 0.00 63.50 60.37 1lkd n PRO 203 Cb 0.53 -2.95 -0.15 0.00 -0.04 0.00 0.00 33.50 30.89 1lkd n PRO 203 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1lkd s LEU 204 N 0.38 2.14 -0.13 1.53 1.43 -1.26 -5.03 118.68 117.73 1lkd s LEU 204 Ca 0.54 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1lkd s LEU 204 Cb 0.15 -1.21 0.27 0.00 0.03 0.00 0.00 46.19 45.44 1lkd s LEU 204 CO -0.06 0.25 1.18 -0.81 0.23 0.00 0.00 176.35 177.13 1lkd n PRO 205 N 1.95 1.89 -4.35 1.29 -0.04 -1.26 -4.88 135.00 129.60 1lkd n PRO 205 Ca -0.17 -1.14 -0.18 0.00 -0.04 0.00 0.00 63.50 61.97 1lkd n PRO 205 Cb 0.52 -1.59 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 1lkd n PRO 205 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1lkd s LYS 206 N -1.41 1.35 0.30 0.54 -0.14 -1.26 -5.04 119.74 114.07 1lkd s LYS 206 Ca 0.21 -1.65 0.10 0.00 -1.36 0.00 0.00 55.97 53.28 1lkd s LYS 206 Cb 0.17 -0.89 0.46 0.00 -1.68 0.00 0.00 37.83 35.88 1lkd s LYS 206 CO 0.05 0.04 1.67 0.00 -0.76 0.00 0.00 175.35 176.35 1lkd h ARG 207 N 2.49 0.03 -4.69 1.68 3.08 -1.89 -3.43 114.38 111.66 1lkd h ARG 207 Ca -0.38 -0.02 -0.28 0.00 0.07 0.00 0.00 59.98 59.36 1lkd h ARG 207 Cb 1.22 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.07 1lkd h ARG 207 CO 0.65 0.56 -0.73 0.96 -1.07 0.00 0.00 179.97 180.33 1lkd s ILE 208 N -3.82 0.65 -0.07 2.04 -4.36 -1.26 -0.91 121.20 113.47 1lkd s ILE 208 Ca -0.02 -1.29 -0.22 0.00 -0.26 0.00 0.00 60.65 58.86 1lkd s ILE 208 Cb 0.13 -0.89 -0.30 0.00 1.25 0.00 0.00 42.46 42.65 1lkd s ILE 208 CO 0.76 -0.46 0.82 -0.74 0.24 0.00 0.00 174.94 175.55 1lkd h HIS 209 N 4.15 0.46 -2.66 1.37 -0.00 -1.53 -3.45 115.15 113.48 1lkd h HIS 209 Ca -0.36 -0.33 0.09 0.00 -0.00 0.00 0.00 60.37 59.76 1lkd h HIS 209 Cb 1.19 -0.02 -0.09 0.00 -0.00 0.00 0.00 27.41 28.49 1lkd h HIS 209 CO 0.64 1.31 0.35 -3.38 -0.00 0.00 0.00 177.93 176.85 1lkd s HIS 210 N -2.41 -0.28 0.24 5.26 0.00 -1.26 -1.56 115.29 115.28 1lkd s HIS 210 Ca -0.15 -0.01 0.12 0.00 -3.00 0.00 0.00 55.06 52.01 1lkd s HIS 210 Cb 0.01 0.62 -0.05 0.00 -4.00 0.00 0.00 32.58 29.16 1lkd s HIS 210 CO 0.80 -0.89 -0.22 -0.59 -1.00 0.00 0.00 174.74 172.84 1lkd s PHE 211 N -3.54 2.29 -0.01 0.38 -0.71 -1.09 -1.48 117.98 113.81 1lkd s PHE 211 Ca 0.08 -0.35 0.05 0.00 -1.04 0.00 0.00 56.93 55.67 1lkd s PHE 211 Cb -0.03 -1.06 -0.01 0.00 -1.21 0.00 0.00 43.02 40.71 1lkd s PHE 211 CO -0.02 0.61 -0.16 1.41 -1.34 0.00 0.00 175.22 175.72 1lkd s MET 212 N -3.10 1.31 -0.05 1.99 1.75 0.24 -0.71 119.30 120.74 1lkd s MET 212 Ca 0.25 -0.58 0.05 0.00 -1.25 0.00 0.00 55.69 54.17 1lkd s MET 212 Cb -0.06 -1.27 -0.01 0.00 2.84 0.00 0.00 34.83 36.33 1lkd s MET 212 CO 0.12 0.35 -0.21 -0.51 -0.65 0.00 0.00 175.02 174.12 1lkd s LEU 213 N -0.38 1.99 -0.11 4.11 1.43 -0.50 -3.05 118.68 122.17 1lkd s LEU 213 Ca 0.06 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1lkd s LEU 213 Cb -0.06 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 1lkd s LEU 213 CO -0.01 0.20 -0.02 -0.70 0.23 0.00 0.00 176.35 176.06 1lkd s GLU 214 N -0.10 3.20 0.38 1.70 2.12 -1.26 -1.88 118.70 122.87 1lkd s GLU 214 Ca -0.03 -0.47 0.08 0.00 0.36 0.00 0.00 54.97 54.91 1lkd s GLU 214 Cb -0.12 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 1lkd s GLU 214 CO 0.03 0.53 0.22 0.14 -0.54 0.00 0.00 175.26 175.63 1lkd s VAL 215 N -0.41 2.75 -0.30 3.70 -7.23 0.55 -0.59 120.40 118.86 1lkd s VAL 215 Ca 0.07 -1.59 0.22 0.00 -1.81 0.00 0.00 61.98 58.87 1lkd s VAL 215 Cb -0.12 -3.00 0.27 0.00 0.56 0.00 0.00 36.38 34.09 1lkd s VAL 215 CO 0.02 -0.08 1.61 0.00 -0.31 0.00 0.00 175.10 176.34 1lkd h ALA 216 N 1.37 0.93 -2.32 1.32 0.00 -1.18 -3.41 119.26 115.96 1lkd h ALA 216 Ca -0.43 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.21 1lkd h ALA 216 Cb 1.26 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 1lkd h ALA 216 CO 0.64 0.16 -0.67 -1.54 0.00 0.00 0.00 179.25 177.84 1lkd s SER 217 N -6.22 0.46 0.24 0.00 1.04 -1.26 -4.93 113.70 103.01 1lkd s SER 217 Ca 0.05 -1.10 -0.05 0.00 0.48 0.00 0.00 55.95 55.34 1lkd s SER 217 Cb 0.06 0.24 0.25 0.00 0.10 0.00 0.00 66.02 66.67 1lkd s SER 217 CO 0.68 -0.65 1.77 0.25 0.98 0.00 0.00 173.24 176.26 1lkd h LEU 218 N 3.00 0.93 -1.38 2.42 5.85 -1.96 -2.47 115.31 121.70 1lkd h LEU 218 Ca -0.35 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 1lkd h LEU 218 Cb 1.17 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1lkd h LEU 218 CO 0.63 0.90 0.24 0.44 -0.34 0.00 0.00 178.44 180.31 1lkd h ASP 219 N 0.94 0.59 -0.70 1.25 3.32 -1.98 0.38 116.42 120.20 1lkd h ASP 219 Ca 0.20 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1lkd h ASP 219 Cb 0.35 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 1lkd h ASP 219 CO 0.00 0.50 0.41 0.44 -1.72 0.00 0.00 179.24 178.86 1lkd h ASP 220 N 0.66 0.61 -0.13 6.45 3.32 -1.77 0.46 116.42 126.03 1lkd h ASP 220 Ca 0.17 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1lkd h ASP 220 Cb 0.06 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1lkd h ASP 220 CO -0.02 0.40 -0.07 0.58 -1.72 0.00 0.00 179.24 178.40 1lkd h VAL 221 N 0.75 1.32 -0.52 -1.35 2.07 -1.24 -2.51 116.25 114.77 1lkd h VAL 221 Ca 0.31 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.76 1lkd h VAL 221 Cb 0.17 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1lkd h VAL 221 CO -0.18 0.32 0.27 1.23 0.02 0.00 0.00 177.57 179.24 1lkd h GLY 222 N -0.07 0.72 0.98 2.17 0.00 -0.49 -0.15 103.07 106.23 1lkd h GLY 222 Ca 0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1lkd h GLY 222 CO 0.02 0.13 -0.06 0.74 0.00 0.00 0.00 176.54 177.37 1lkd h PHE 223 N 0.53 0.86 -0.78 5.60 0.04 -0.98 -2.85 116.94 119.35 1lkd h PHE 223 Ca 0.22 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1lkd h PHE 223 Cb 0.12 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 1lkd h PHE 223 CO -0.09 0.87 0.38 0.00 -0.60 0.00 0.00 178.31 178.87 1lkd h ALA 224 N 0.86 1.19 -0.38 2.45 0.00 -1.14 -1.81 119.26 120.44 1lkd h ALA 224 Ca 0.11 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1lkd h ALA 224 Cb 0.57 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1lkd h ALA 224 CO 0.03 0.62 0.10 0.35 0.00 0.00 0.00 179.25 180.36 1lkd h PHE 225 N 1.11 0.17 -0.48 0.00 3.04 -0.88 -0.99 116.94 118.92 1lkd h PHE 225 Ca 0.27 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.17 1lkd h PHE 225 Cb 0.11 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 1lkd h PHE 225 CO 0.01 0.05 -0.00 -0.44 -2.02 0.00 0.00 178.31 175.91 1lkd h ASP 226 N 0.24 0.76 -0.49 0.41 5.19 -1.21 0.21 116.42 121.53 1lkd h ASP 226 Ca 0.18 -0.18 -0.08 0.00 -0.62 0.00 0.00 57.03 56.32 1lkd h ASP 226 Cb 0.18 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 1lkd h ASP 226 CO -0.21 0.83 0.01 0.03 -3.12 0.00 0.00 179.24 176.78 1lkd h ARG 227 N 0.74 0.92 -0.04 3.56 3.08 -0.72 -1.46 114.38 120.45 1lkd h ARG 227 Ca 0.14 -0.26 -0.25 0.00 0.07 0.00 0.00 59.98 59.69 1lkd h ARG 227 Cb 0.45 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.42 1lkd h ARG 227 CO 0.02 0.90 -0.95 0.28 -1.07 0.00 0.00 179.97 179.16 1lkd h VAL 228 N 0.85 1.30 -0.06 2.04 2.07 -0.89 -3.23 116.25 118.34 1lkd h VAL 228 Ca 0.16 -2.21 -0.06 0.00 0.82 0.00 0.00 66.70 65.42 1lkd h VAL 228 Cb 0.48 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1lkd h VAL 228 CO 0.02 0.68 -0.23 -0.78 0.02 0.00 0.00 177.57 177.29 1lkd h ASP 229 N 0.40 0.09 -0.16 0.57 3.58 -0.42 -2.21 116.42 118.28 1lkd h ASP 229 Ca -0.10 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.38 1lkd h ASP 229 Cb 1.59 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.61 1lkd h ASP 229 CO 0.18 0.33 0.12 0.00 -2.88 0.00 0.00 179.24 176.99 1lkd h ALA 230 N 1.68 2.09 -0.66 -0.78 0.00 -1.28 -0.15 119.26 120.18 1lkd h ALA 230 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1lkd h ALA 230 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1lkd h ALA 230 CO 0.03 -0.20 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 1lkd n ASP 231 N -4.40 3.81 -2.13 0.00 9.92 -0.86 -4.96 116.55 117.93 1lkd n ASP 231 Ca 0.01 -2.00 -0.17 0.00 -0.53 0.00 0.00 54.79 52.10 1lkd n ASP 231 Cb 0.25 -0.44 0.01 0.00 -0.64 0.00 0.00 41.12 40.30 1lkd n ASP 231 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lkd n GLY 232 N 1.55 -0.27 0.98 0.44 0.00 -0.07 -4.93 105.19 102.89 1lkd n GLY 232 Ca 0.23 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1lkd n GLY 232 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lkd n LEU 233 N -2.77 3.03 -4.74 0.99 4.77 -1.02 -4.96 117.00 112.29 1lkd n LEU 233 Ca -0.14 -1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 54.37 1lkd n LEU 233 Cb 0.62 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1lkd n LEU 233 CO 0.30 0.53 0.99 -0.63 -1.33 0.00 0.00 177.39 177.25 1lkd s ILE 234 N -1.92 3.12 -0.09 -0.08 -1.09 -1.26 -1.04 121.20 118.83 1lkd s ILE 234 Ca 0.30 0.95 0.07 0.00 -2.23 0.00 0.00 60.65 59.74 1lkd s ILE 234 Cb 0.20 -3.60 -0.10 0.00 -1.58 0.00 0.00 42.46 37.38 1lkd s ILE 234 CO 0.30 0.15 0.19 0.35 -1.23 0.00 0.00 174.94 174.71 1lkd n THR 235 N 2.35 0.00 -3.74 2.92 -2.24 -0.09 -4.80 114.28 108.67 1lkd n THR 235 Ca 0.05 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1lkd n THR 235 Cb 0.42 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 69.07 1lkd n THR 235 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1lkd s SER 236 N -2.48 -0.39 0.96 3.42 0.15 -1.10 -2.04 113.70 112.21 1lkd s SER 236 Ca -0.01 0.75 -0.12 0.00 0.70 0.00 0.00 55.95 57.27 1lkd s SER 236 Cb 0.05 0.75 0.16 0.00 -1.71 0.00 0.00 66.02 65.27 1lkd s SER 236 CO 0.29 -0.13 1.11 0.42 1.20 0.00 0.00 173.24 176.12 1lkd s THR 237 N 0.32 2.07 0.37 6.45 -4.23 -0.51 -3.35 115.64 116.77 1lkd s THR 237 Ca -0.01 0.02 -0.28 0.00 -1.18 0.00 0.00 61.69 60.24 1lkd s THR 237 Cb -0.03 -2.63 -0.11 0.00 1.34 0.00 0.00 72.50 71.07 1lkd s THR 237 CO -0.01 -0.03 1.48 -0.76 -0.54 0.00 0.00 174.62 174.77 1lkd s LEU 238 N -6.26 4.32 0.30 4.79 1.43 -1.26 -2.76 118.68 119.24 1lkd s LEU 238 Ca 0.65 3.04 -0.19 0.00 -1.03 0.00 0.00 54.13 56.59 1lkd s LEU 238 Cb -0.17 -3.67 0.05 0.00 0.03 0.00 0.00 46.19 42.43 1lkd s LEU 238 CO 0.56 -0.86 0.81 -0.83 0.23 0.00 0.00 176.35 176.25 1lkd s GLY 239 N -0.13 0.11 -0.06 -3.19 0.00 -0.42 -2.30 107.32 101.33 1lkd s GLY 239 Ca 0.53 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.84 1lkd s GLY 239 CO 0.62 0.08 -0.18 -1.60 0.00 0.00 0.00 173.10 172.02 1lkd s ARG 240 N -3.00 2.03 0.48 2.90 3.52 -0.46 -0.73 118.95 123.70 1lkd s ARG 240 Ca 0.14 -0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 54.89 1lkd s ARG 240 Cb -0.05 -1.70 -0.08 0.00 -1.56 0.00 0.00 34.95 31.56 1lkd s ARG 240 CO 0.08 0.22 1.04 -1.01 -0.81 0.00 0.00 175.30 174.82 1lkd s HIS 241 N 0.16 3.00 0.22 5.12 3.76 -0.35 -0.09 115.29 127.10 1lkd s HIS 241 Ca -0.08 1.58 0.03 0.00 -0.15 0.00 0.00 55.06 56.44 1lkd s HIS 241 Cb -0.13 -3.07 0.18 0.00 1.11 0.00 0.00 32.58 30.67 1lkd s HIS 241 CO 0.04 -0.84 1.51 1.79 -0.85 0.00 0.00 174.74 176.39 1lkd h THR 242 N 1.58 1.40 0.00 1.30 1.35 -1.67 -2.61 112.91 114.25 1lkd h THR 242 Ca -0.49 -2.09 -0.18 0.00 -0.55 0.00 0.00 66.41 63.09 1lkd h THR 242 Cb 1.22 2.08 -0.03 0.00 -1.73 0.00 0.00 68.15 69.69 1lkd h THR 242 CO 0.59 0.62 -1.12 -0.46 -0.25 0.00 0.00 175.52 174.90 1lkd n ASN 243 N -3.84 1.85 -0.59 5.36 6.94 -1.26 -4.49 115.26 119.23 1lkd n ASN 243 Ca -0.03 0.47 0.12 0.00 -0.02 0.00 0.00 54.58 55.12 1lkd n ASN 243 Cb 0.66 -0.94 0.15 0.00 -2.36 0.00 0.00 39.78 37.29 1lkd n ASN 243 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1lkd n ASP 244 N -4.47 2.10 -2.17 0.53 5.75 -1.26 -4.94 116.55 112.08 1lkd n ASP 244 Ca -0.27 -1.56 -0.19 0.00 -0.01 0.00 0.00 54.79 52.77 1lkd n ASP 244 Cb 0.59 0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 40.88 1lkd n ASP 244 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1lkd n HIS 245 N 0.31 -0.84 -2.74 2.11 8.25 -0.98 -0.39 115.22 120.93 1lkd n HIS 245 Ca 0.12 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.18 1lkd n HIS 245 Cb 0.48 -3.52 -0.06 0.00 1.12 0.00 0.00 29.99 28.01 1lkd n HIS 245 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1lkd s MET 246 N -4.63 4.82 -0.26 -0.41 0.00 -1.26 -4.27 119.30 113.29 1lkd s MET 246 Ca 0.00 1.49 -0.13 0.00 0.00 0.00 0.00 55.69 57.04 1lkd s MET 246 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 34.83 31.49 1lkd s MET 246 CO 0.00 0.44 0.29 0.08 0.00 0.00 0.00 175.02 175.83 1lkd s VAL 247 N -0.91 5.25 0.36 10.11 1.01 -0.25 -1.21 120.40 134.76 1lkd s VAL 247 Ca 0.42 0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.69 1lkd s VAL 247 Cb -0.25 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.54 1lkd s VAL 247 CO 0.32 0.23 0.69 -0.94 0.00 0.00 0.00 175.10 175.40 1lkd s SER 248 N 1.46 0.21 0.11 3.32 1.04 0.09 -0.33 113.70 119.61 1lkd s SER 248 Ca 0.12 -1.18 -0.01 0.00 0.48 0.00 0.00 55.95 55.36 1lkd s SER 248 Cb -0.15 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 1lkd s SER 248 CO 0.09 -1.54 0.04 0.72 0.98 0.00 0.00 173.24 173.53 1lkd s PHE 249 N -2.69 0.77 0.15 5.02 -0.12 -1.05 -1.30 117.98 118.75 1lkd s PHE 249 Ca 0.19 -1.18 0.11 0.00 -0.05 0.00 0.00 56.93 56.00 1lkd s PHE 249 Cb -0.04 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 41.86 1lkd s PHE 249 CO 0.13 -0.50 -0.25 0.71 -0.05 0.00 0.00 175.22 175.26 1lkd s TYR 250 N -4.02 2.24 0.13 3.49 1.51 -1.21 -1.93 117.35 117.56 1lkd s TYR 250 Ca 0.20 -0.38 -0.10 0.00 -1.01 0.00 0.00 57.07 55.78 1lkd s TYR 250 Cb 0.07 -1.18 0.00 0.00 -0.11 0.00 0.00 41.96 40.75 1lkd s TYR 250 CO -0.01 0.37 0.28 0.00 -1.11 0.00 0.00 175.55 175.08 1lkd s ALA 251 N -1.27 -0.29 -0.07 3.71 0.00 -0.54 -0.91 121.76 122.39 1lkd s ALA 251 Ca 0.15 -0.61 -0.19 0.00 0.00 0.00 0.00 51.96 51.31 1lkd s ALA 251 Cb -0.09 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 1lkd s ALA 251 CO 0.07 -0.60 0.54 -1.12 0.00 0.00 0.00 175.76 174.65 1lkd s SER 252 N -2.89 6.82 0.71 0.00 0.01 -0.21 -0.91 113.70 117.23 1lkd s SER 252 Ca 0.09 0.98 -0.06 0.00 1.31 0.00 0.00 55.95 58.28 1lkd s SER 252 Cb 0.03 -2.33 0.08 0.00 0.21 0.00 0.00 66.02 64.02 1lkd s SER 252 CO -0.07 0.04 1.01 0.42 0.41 0.00 0.00 173.24 175.05 1lkd s THR 253 N 0.28 2.27 -0.19 1.44 -4.23 -0.47 -4.93 115.64 109.82 1lkd s THR 253 Ca 0.29 -0.34 0.25 0.00 -1.18 0.00 0.00 61.69 60.71 1lkd s THR 253 Cb -0.17 -2.94 0.26 0.00 1.34 0.00 0.00 72.50 70.99 1lkd s THR 253 CO 0.14 0.00 1.76 -0.65 -0.54 0.00 0.00 174.62 175.33 1lkd h PRO 254 N -0.61 0.00 -0.02 3.99 0.11 -1.90 -1.82 132.00 131.74 1lkd h PRO 254 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1lkd h PRO 254 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1lkd h PRO 254 CO 0.54 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.76 1lkd n SER 255 N -2.37 2.08 0.00 -2.05 7.64 -1.26 -4.95 113.62 112.71 1lkd n SER 255 Ca -0.00 -1.70 0.00 0.00 1.01 0.00 0.00 58.87 58.18 1lkd n SER 255 Cb 0.11 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1lkd n SER 255 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lkd n GLY 256 N 1.24 2.52 3.65 0.23 0.00 -0.69 -4.86 105.19 107.29 1lkd n GLY 256 Ca 0.17 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 1lkd n GLY 256 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1lkd n VAL 257 N 0.00 2.94 -2.76 1.61 0.31 -1.26 -4.48 118.33 114.69 1lkd n VAL 257 Ca 0.00 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.62 1lkd n VAL 257 Cb 0.00 -1.32 0.03 0.00 -0.91 0.00 0.00 33.84 31.63 1lkd n VAL 257 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1lkd s GLU 258 N -2.35 2.68 -0.01 5.55 2.02 -0.60 -1.36 118.70 124.62 1lkd s GLU 258 Ca 0.67 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.89 1lkd s GLU 258 Cb -0.49 -2.54 -0.00 0.00 0.10 0.00 0.00 34.13 31.20 1lkd s GLU 258 CO 0.54 -0.57 -0.08 0.54 0.02 0.00 0.00 175.26 175.71 1lkd s VAL 259 N -2.66 0.67 -0.10 2.63 0.11 -0.09 -2.66 120.40 118.29 1lkd s VAL 259 Ca 0.55 -0.35 -0.01 0.00 -2.93 0.00 0.00 61.98 59.24 1lkd s VAL 259 Cb -0.10 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1lkd s VAL 259 CO 0.37 0.20 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.60 1lkd s GLU 260 N -0.11 3.11 -0.21 1.54 2.12 0.12 -1.47 118.70 123.79 1lkd s GLU 260 Ca 0.02 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1lkd s GLU 260 Cb -0.04 -2.74 0.05 0.00 0.26 0.00 0.00 34.13 31.66 1lkd s GLU 260 CO -0.00 0.54 -0.06 -0.47 -0.54 0.00 0.00 175.26 174.72 1lkd s TYR 261 N -0.44 2.22 0.31 5.30 5.04 -0.81 -1.41 117.35 127.55 1lkd s TYR 261 Ca 0.07 -1.55 0.04 0.00 -2.44 0.00 0.00 57.07 53.19 1lkd s TYR 261 Cb -0.12 -1.52 -0.03 0.00 0.35 0.00 0.00 41.96 40.63 1lkd s TYR 261 CO 0.02 -0.73 0.19 0.20 -1.34 0.00 0.00 175.55 173.90 1lkd s GLY 262 N 1.46 2.12 -0.03 8.97 0.00 -0.79 -2.53 107.32 116.52 1lkd s GLY 262 Ca -0.03 -1.81 -0.15 0.00 0.00 0.00 0.00 44.72 42.73 1lkd s GLY 262 CO -0.07 -1.54 0.32 0.86 0.00 0.00 0.00 173.10 172.66 1lkd s TRP 263 N -3.59 -0.21 -0.90 1.90 -0.00 0.54 -0.33 118.94 116.35 1lkd s TRP 263 Ca 0.37 0.35 0.00 0.00 -0.00 0.00 0.00 56.10 56.82 1lkd s TRP 263 Cb 0.04 0.10 0.00 0.00 -0.00 0.00 0.00 33.47 33.61 1lkd s TRP 263 CO 0.20 -0.37 0.00 0.45 -0.00 0.00 0.00 176.95 177.23 1lkd n SER 264 N 1.47 -3.49 -4.77 5.86 2.88 -1.26 -1.09 113.62 113.21 1lkd n SER 264 Ca -0.20 0.01 -0.35 0.00 -1.33 0.00 0.00 58.87 57.00 1lkd n SER 264 Cb 0.56 -2.67 0.01 0.00 -0.75 0.00 0.00 64.21 61.36 1lkd n SER 264 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lkd s ALA 265 N -2.50 2.67 0.53 -1.46 0.00 -1.26 -4.54 121.76 115.19 1lkd s ALA 265 Ca 0.00 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 52.65 1lkd s ALA 265 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1lkd s ALA 265 CO 0.00 -0.83 0.86 -0.98 0.00 0.00 0.00 175.76 174.81 1lkd s ARG 266 N -3.43 3.52 0.48 0.00 1.70 0.47 -4.95 118.95 116.75 1lkd s ARG 266 Ca 0.71 0.34 0.07 0.00 -0.47 0.00 0.00 55.73 56.38 1lkd s ARG 266 Cb -0.23 -2.29 0.01 0.00 -0.57 0.00 0.00 34.95 31.87 1lkd s ARG 266 CO 0.29 -0.34 0.37 0.95 -1.08 0.00 0.00 175.30 175.50 1lkd s THR 267 N -2.88 2.10 0.26 4.99 -4.23 -1.26 -4.09 115.64 110.53 1lkd s THR 267 Ca 0.50 -1.46 0.07 0.00 -1.18 0.00 0.00 61.69 59.63 1lkd s THR 267 Cb -0.10 -2.56 -0.05 0.00 1.34 0.00 0.00 72.50 71.13 1lkd s THR 267 CO 0.47 0.00 -0.10 0.68 -0.54 0.00 0.00 174.62 175.14 1lkd s VAL 268 N -2.64 1.76 0.00 2.29 -7.23 -0.02 -4.87 120.40 109.69 1lkd s VAL 268 Ca 0.41 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 1lkd s VAL 268 Cb -0.02 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1lkd s VAL 268 CO 0.24 -0.39 0.00 -0.90 -0.31 0.00 0.00 175.10 173.75 1lkd n ASP 269 N -0.54 0.00 0.00 4.85 5.75 -1.26 -4.48 116.55 120.87 1lkd n ASP 269 Ca -0.06 -0.58 0.09 0.00 -0.01 0.00 0.00 54.79 54.23 1lkd n ASP 269 Cb 0.62 0.00 0.44 0.00 -1.03 0.00 0.00 41.12 41.15 1lkd n ASP 269 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1lkd n ARG 270 N 0.00 0.22 0.00 0.11 1.74 -1.26 -2.22 116.66 115.25 1lkd n ARG 270 Ca 0.00 0.13 0.12 0.00 -0.77 0.00 0.00 57.85 57.33 1lkd n ARG 270 Cb 0.00 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.07 1lkd n ARG 270 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1lkd n SER 271 N -1.31 2.47 -4.77 0.55 3.41 -1.26 -4.97 113.62 107.74 1lkd n SER 271 Ca 0.08 -1.75 -0.40 0.00 -0.26 0.00 0.00 58.87 56.53 1lkd n SER 271 Cb 0.15 0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 1lkd n SER 271 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1lkd s TRP 272 N -2.16 2.97 -0.01 7.33 -0.11 -0.94 -5.04 118.94 120.97 1lkd s TRP 272 Ca 0.26 1.42 0.08 0.00 1.22 0.00 0.00 56.10 59.08 1lkd s TRP 272 Cb 0.20 -3.66 -0.02 0.00 -1.50 0.00 0.00 33.47 28.48 1lkd s TRP 272 CO 0.39 -1.91 -0.25 0.14 -4.62 0.00 0.00 176.95 170.71 1lkd s VAL 273 N -1.19 1.94 0.29 5.86 -7.23 -1.26 -5.01 120.40 113.79 1lkd s VAL 273 Ca 0.52 -1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.31 1lkd s VAL 273 Cb -0.39 -1.62 -0.10 0.00 0.56 0.00 0.00 36.38 34.83 1lkd s VAL 273 CO 0.51 0.51 1.36 -0.69 -0.31 0.00 0.00 175.10 176.48 1lkd s VAL 274 N -0.61 2.74 0.31 1.32 1.01 -1.26 -4.95 120.40 118.96 1lkd s VAL 274 Ca 0.10 0.68 0.05 0.00 0.00 0.00 0.00 61.98 62.81 1lkd s VAL 274 Cb -0.09 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1lkd s VAL 274 CO -0.00 0.14 0.23 0.68 0.00 0.00 0.00 175.10 176.14 1lkd s VAL 275 N -0.61 0.07 0.13 2.92 -7.23 -1.25 -5.04 120.40 109.40 1lkd s VAL 275 Ca 0.53 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.75 1lkd s VAL 275 Cb -0.40 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1lkd s VAL 275 CO 0.48 0.00 -0.12 0.00 -0.31 0.00 0.00 175.10 175.15 1lkd s ARG 276 N -3.63 1.03 0.06 4.82 1.70 -1.26 -2.02 118.95 119.65 1lkd s ARG 276 Ca 0.39 -1.34 0.01 0.00 -0.47 0.00 0.00 55.73 54.32 1lkd s ARG 276 Cb 0.03 -0.74 -0.03 0.00 -0.57 0.00 0.00 34.95 33.64 1lkd s ARG 276 CO 0.23 0.12 -0.06 -1.01 -1.08 0.00 0.00 175.30 173.50 1lkd s HIS 277 N -2.73 0.68 -1.29 5.89 3.76 0.30 -4.94 115.29 116.95 1lkd s HIS 277 Ca 0.12 -0.80 0.10 0.00 -0.15 0.00 0.00 55.06 54.34 1lkd s HIS 277 Cb -0.01 -0.42 0.08 0.00 1.11 0.00 0.00 32.58 33.33 1lkd s HIS 277 CO 0.02 -0.19 0.82 -0.25 -0.85 0.00 0.00 174.74 174.29 1lkd n ASP 278 N 0.57 1.84 -3.86 1.40 8.00 -1.26 -1.29 116.55 121.94 1lkd n ASP 278 Ca -0.17 -1.42 -0.11 0.00 0.71 0.00 0.00 54.79 53.80 1lkd n ASP 278 Cb 0.59 0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.60 1lkd n ASP 278 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1lkd s SER 279 N -0.90 -0.02 0.01 -2.24 0.15 -1.26 -4.70 113.70 104.73 1lkd s SER 279 Ca 0.12 -0.02 0.24 0.00 0.70 0.00 0.00 55.95 56.99 1lkd s SER 279 Cb 0.09 0.22 0.34 0.00 -1.71 0.00 0.00 66.02 64.96 1lkd s SER 279 CO 0.14 -0.20 1.30 -0.81 1.20 0.00 0.00 173.24 174.86 1lkd n PRO 280 N 2.22 0.03 -4.32 5.44 -0.04 -1.26 -4.67 135.00 132.40 1lkd n PRO 280 Ca -0.18 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.08 1lkd n PRO 280 Cb 0.57 -1.51 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 1lkd n PRO 280 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1lkd s SER 281 N -3.10 1.15 0.03 3.54 0.01 -1.26 -1.99 113.70 112.07 1lkd s SER 281 Ca 0.10 -0.18 -0.21 0.00 1.31 0.00 0.00 55.95 56.97 1lkd s SER 281 Cb 0.17 -0.43 -0.16 0.00 0.21 0.00 0.00 66.02 65.82 1lkd s SER 281 CO 0.74 0.02 1.33 0.24 0.41 0.00 0.00 173.24 175.97 1lkd h MET 282 N 6.74 0.29 -3.46 12.44 2.86 -0.73 -3.44 114.93 129.63 1lkd h MET 282 Ca -0.35 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.08 1lkd h MET 282 Cb 1.17 0.01 -0.13 0.00 0.06 0.00 0.00 31.60 32.70 1lkd h MET 282 CO 0.48 0.70 -0.12 1.67 1.06 0.00 0.00 176.91 180.70 1lkd s TRP 283 N -4.28 -0.15 0.00 -0.22 1.48 -1.23 -5.00 118.94 109.54 1lkd s TRP 283 Ca -0.14 -0.19 0.00 0.00 -1.06 0.00 0.00 56.10 54.71 1lkd s TRP 283 Cb 0.05 0.21 0.00 0.00 -1.16 0.00 0.00 33.47 32.56 1lkd s TRP 283 CO 0.74 -0.68 0.00 0.41 -4.06 0.00 0.00 176.95 173.36 1lkd n GLY 284 N -0.20 -0.01 3.48 3.67 0.00 -1.26 -1.36 105.19 109.52 1lkd n GLY 284 Ca -0.16 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 1lkd n GLY 284 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1lkd n HIS 285 N 0.00 -2.66 -2.63 1.61 8.25 -0.97 -4.81 115.22 114.02 1lkd n HIS 285 Ca 0.00 0.97 -0.42 0.00 -0.26 0.00 0.00 57.72 58.01 1lkd n HIS 285 Cb 0.00 -4.91 -0.03 0.00 1.12 0.00 0.00 29.99 26.17 1lkd n HIS 285 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1lkd s LYS 286 N -6.08 4.57 0.13 -0.41 2.20 -1.26 -4.69 119.74 114.20 1lkd s LYS 286 Ca 0.46 1.54 -0.31 0.00 -0.36 0.00 0.00 55.97 57.30 1lkd s LYS 286 Cb -0.20 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.65 1lkd s LYS 286 CO 0.70 -0.01 1.38 0.45 -0.36 0.00 0.00 175.35 177.51 1lkd s SER 287 N 0.61 6.83 0.00 1.43 0.15 -1.26 -1.42 113.70 120.05 1lkd s SER 287 Ca 0.52 2.34 0.00 0.00 0.70 0.00 0.00 55.95 59.51 1lkd s SER 287 Cb -0.25 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 1lkd s SER 287 CO 0.30 -0.63 0.09 1.33 1.20 0.00 0.00 173.24 175.53