#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1q s PRO 2 N 0.00 4.42 0.25 0.03 0.04 -1.26 -4.26 135.00 134.22 3k1q s PRO 2 Ca 0.00 0.97 -0.31 0.00 0.04 0.00 0.00 61.00 61.70 3k1q s PRO 2 Cb 0.00 -3.48 -0.13 0.00 0.04 0.00 0.00 34.50 30.93 3k1q s PRO 2 CO 0.00 -0.04 1.48 -0.11 0.04 0.00 0.00 177.00 178.37 3k1q n LEU 3 N 4.14 3.50 -4.14 -3.56 7.94 -1.26 -5.05 117.00 118.57 3k1q n LEU 3 Ca 0.01 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.93 3k1q n LEU 3 Cb 0.51 -1.48 -0.11 0.00 0.53 0.00 0.00 43.42 42.87 3k1q n LEU 3 CO 0.48 -0.27 -0.40 -1.00 -1.11 0.00 0.00 177.39 175.09 3k1q s HIS 4 N 0.04 0.86 -1.05 1.96 3.76 -1.26 -4.75 115.29 114.85 3k1q s HIS 4 Ca 0.68 -0.75 -0.16 0.00 -0.15 0.00 0.00 55.06 54.67 3k1q s HIS 4 Cb -0.60 -0.50 -0.01 0.00 1.11 0.00 0.00 32.58 32.59 3k1q s HIS 4 CO 0.48 -0.10 0.76 -1.33 -0.85 0.00 0.00 174.74 173.70 3k1q n MET 5 N 0.49 -1.24 0.24 1.40 2.81 -1.26 -4.72 117.12 114.83 3k1q n MET 5 Ca -0.16 0.60 -0.16 0.00 -1.81 0.00 0.00 57.70 56.18 3k1q n MET 5 Cb 0.58 -4.05 -0.08 0.00 -0.71 0.00 0.00 33.22 28.97 3k1q n MET 5 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3k1q h ILE 6 N -1.45 0.29 -0.61 2.02 5.03 -2.00 -1.94 117.51 118.85 3k1q h ILE 6 Ca -0.59 0.00 0.18 0.00 -0.12 0.00 0.00 64.86 64.33 3k1q h ILE 6 Cb 1.33 0.29 -0.02 0.00 -3.03 0.00 0.00 36.82 35.38 3k1q h ILE 6 CO 0.45 0.00 0.49 -0.65 -0.68 0.00 0.00 178.15 177.76 3k1q h PRO 7 N -0.75 0.00 0.02 2.37 0.11 -1.95 -1.55 132.00 130.25 3k1q h PRO 7 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 3k1q h PRO 7 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3k1q h PRO 7 CO -0.03 0.00 -0.01 1.96 -0.21 0.00 0.00 178.00 179.71 3k1q h GLN 8 N 0.00 -0.02 -0.00 1.05 7.50 -1.74 -1.13 115.11 120.77 3k1q h GLN 8 Ca 0.29 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.44 3k1q h GLN 8 Cb 1.28 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.81 3k1q h GLN 8 CO -0.00 0.72 0.00 0.28 -1.50 0.00 0.00 178.83 178.33 3k1q h VAL 9 N -0.95 0.90 -0.46 -0.54 2.07 -1.30 -0.57 116.25 115.39 3k1q h VAL 9 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3k1q h VAL 9 Cb 0.75 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3k1q h VAL 9 CO 0.00 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.85 3k1q h ALA 10 N 2.00 0.59 -0.54 1.67 0.00 -1.35 0.84 119.26 122.47 3k1q h ALA 10 Ca 0.00 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3k1q h ALA 10 Cb 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 17.50 3k1q h ALA 10 CO -0.00 0.12 -0.28 0.45 0.00 0.00 0.00 179.25 179.54 3k1q h HIS 11 N 0.61 -0.73 -0.32 0.00 -0.00 -0.47 -0.45 115.15 113.79 3k1q h HIS 11 Ca 0.16 0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 3k1q h HIS 11 Cb 0.05 0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 3k1q h HIS 11 CO -0.02 -0.35 0.11 0.00 -0.00 0.00 0.00 177.93 177.67 3k1q h ALA 12 N 1.12 0.41 -0.36 2.45 0.00 -0.98 0.03 119.26 121.93 3k1q h ALA 12 Ca 0.24 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3k1q h ALA 12 Cb 0.52 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 3k1q h ALA 12 CO -0.63 0.04 -0.42 1.98 0.00 0.00 0.00 179.25 180.22 3k1q h MET 13 N 0.36 -0.33 0.00 0.00 -1.53 0.16 -2.11 114.93 111.48 3k1q h MET 13 Ca 0.10 0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.36 3k1q h MET 13 Cb 0.23 0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.35 3k1q h MET 13 CO -0.01 -0.22 -0.10 -0.24 0.14 0.00 0.00 176.91 176.48 3k1q h VAL 14 N -0.35 0.81 -0.25 -5.77 3.04 -0.81 -1.94 116.25 110.98 3k1q h VAL 14 Ca 0.13 -0.38 -0.08 0.00 -1.01 0.00 0.00 66.70 65.36 3k1q h VAL 14 Cb 0.59 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 3k1q h VAL 14 CO -0.55 0.10 -0.18 -0.09 -1.01 0.00 0.00 177.57 175.84 3k1q h ARG 15 N 0.00 0.45 -0.52 4.17 9.65 -0.51 -0.32 114.38 127.29 3k1q h ARG 15 Ca -0.00 -0.14 -0.06 0.00 -1.10 0.00 0.00 59.98 58.68 3k1q h ARG 15 Cb 0.21 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 3k1q h ARG 15 CO 0.01 0.61 0.10 0.00 2.80 0.00 0.00 179.97 183.50 3k1q h ALA 16 N 1.41 1.19 -0.34 2.80 0.00 -0.72 -2.42 119.26 121.18 3k1q h ALA 16 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3k1q h ALA 16 Cb 0.55 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3k1q h ALA 16 CO 0.04 0.55 0.16 0.00 0.00 0.00 0.00 179.25 179.99 3k1q h ALA 17 N 1.33 0.44 0.00 0.00 0.00 -1.37 -2.72 119.26 116.94 3k1q h ALA 17 Ca 0.17 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3k1q h ALA 17 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3k1q h ALA 17 CO 0.00 0.01 -0.31 0.00 0.00 0.00 0.00 179.25 178.95 3k1q h ALA 18 N 1.01 1.34 -0.83 0.00 0.00 -0.95 -2.90 119.26 116.93 3k1q h ALA 18 Ca 0.12 -0.28 -0.53 0.00 0.00 0.00 0.00 54.91 54.22 3k1q h ALA 18 Cb 0.14 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 17.59 3k1q h ALA 18 CO -0.01 0.38 0.33 0.00 0.00 0.00 0.00 179.25 179.95 3k1q n ALA 19 N -2.41 5.57 0.00 0.00 0.00 -0.92 -4.93 120.51 117.81 3k1q n ALA 19 Ca -0.02 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.06 3k1q n ALA 19 Cb 0.37 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3k1q n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1q n GLY 20 N -0.96 0.46 3.56 0.00 0.00 -1.05 -4.81 105.19 102.38 3k1q n GLY 20 Ca 0.53 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.27 3k1q n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1q s ARG 21 N 0.00 2.44 -0.15 1.61 1.81 -1.06 -4.70 118.95 118.90 3k1q s ARG 21 Ca 0.00 0.08 0.00 0.00 -1.72 0.00 0.00 55.73 54.09 3k1q s ARG 21 Cb 0.00 -4.86 0.03 0.00 -0.45 0.00 0.00 34.95 29.67 3k1q s ARG 21 CO 0.00 -3.36 -0.11 -1.17 -0.68 0.00 0.00 175.30 169.98 3k1q s LEU 22 N 10.51 1.67 -1.04 2.53 2.96 -1.21 -4.61 118.68 129.49 3k1q s LEU 22 Ca 0.73 -0.53 -0.25 0.00 -0.22 0.00 0.00 54.13 53.86 3k1q s LEU 22 Cb -0.09 -1.09 -0.14 0.00 0.50 0.00 0.00 46.19 45.38 3k1q s LEU 22 CO 0.06 -0.10 2.07 0.42 -1.32 0.00 0.00 176.35 177.48 3k1q s THR 23 N 1.54 3.27 -1.31 3.68 -4.23 -1.26 -4.89 115.64 112.44 3k1q s THR 23 Ca 0.03 -0.40 -0.06 0.00 -1.18 0.00 0.00 61.69 60.09 3k1q s THR 23 Cb -0.14 -4.05 0.13 0.00 1.34 0.00 0.00 72.50 69.79 3k1q s THR 23 CO -0.09 -0.52 2.32 -0.11 -0.54 0.00 0.00 174.62 175.67 3k1q n LEU 24 N 16.78 7.90 -4.40 4.79 7.94 -1.26 -3.09 117.00 145.66 3k1q n LEU 24 Ca 0.43 -4.88 -0.42 0.00 -1.11 0.00 0.00 56.01 50.03 3k1q n LEU 24 Cb 0.46 -1.37 -0.10 0.00 0.53 0.00 0.00 43.42 42.95 3k1q n LEU 24 CO 0.61 1.99 -0.07 -0.47 -1.11 0.00 0.00 177.39 178.34 3k1q s TYR 25 N -1.06 3.25 0.50 1.96 6.04 -1.19 -0.53 117.35 126.32 3k1q s TYR 25 Ca 0.52 -0.85 -0.04 0.00 0.04 0.00 0.00 57.07 56.74 3k1q s TYR 25 Cb 0.17 -2.72 -0.02 0.00 -1.04 0.00 0.00 41.96 38.36 3k1q s TYR 25 CO -0.08 -0.68 0.79 -0.08 -1.54 0.00 0.00 175.55 173.96 3k1q s THR 26 N 1.62 4.50 0.00 4.34 -1.32 -0.54 0.85 115.64 125.09 3k1q s THR 26 Ca 0.04 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 3k1q s THR 26 Cb -0.21 -3.72 0.00 0.00 -1.51 0.00 0.00 72.50 67.06 3k1q s THR 26 CO 0.08 -0.68 0.00 -2.11 -2.21 0.00 0.00 174.62 169.70 3k1q n ARG 27 N -2.30 0.00 0.00 7.08 0.00 -1.26 0.02 116.66 120.20 3k1q n ARG 27 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.82 3k1q n ARG 27 Cb 0.56 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.91 3k1q n ARG 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3k1q n THR 28 N -1.39 1.38 -3.75 8.89 -2.24 -1.26 -4.96 114.28 110.95 3k1q n THR 28 Ca 0.00 -0.74 -0.37 0.00 -2.27 0.00 0.00 64.05 60.67 3k1q n THR 28 Cb 0.00 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.25 3k1q n THR 28 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3k1q s ARG 29 N -2.77 3.83 0.49 -0.78 3.52 0.10 -5.01 118.95 118.33 3k1q s ARG 29 Ca -0.04 -0.39 0.18 0.00 -0.13 0.00 0.00 55.73 55.35 3k1q s ARG 29 Cb 0.08 -3.42 1.21 0.00 -1.56 0.00 0.00 34.95 31.26 3k1q s ARG 29 CO 0.82 -0.08 2.04 1.15 -0.81 0.00 0.00 175.30 178.41 3k1q h THR 30 N 5.33 0.88 -4.17 4.11 2.02 -1.89 -1.43 112.91 117.76 3k1q h THR 30 Ca -0.37 -0.06 -0.47 0.00 0.77 0.00 0.00 66.41 66.28 3k1q h THR 30 Cb 1.18 0.70 -0.29 0.00 -1.74 0.00 0.00 68.15 68.00 3k1q h THR 30 CO 0.60 0.03 -0.81 -0.70 0.37 0.00 0.00 175.52 175.01 3k1q s GLU 31 N -5.18 1.06 -0.93 6.66 2.56 -1.26 -3.49 118.70 118.12 3k1q s GLU 31 Ca -0.06 -0.49 -0.20 0.00 0.00 0.00 0.00 54.97 54.21 3k1q s GLU 31 Cb 0.19 -1.03 -0.11 0.00 2.00 0.00 0.00 34.13 35.17 3k1q s GLU 31 CO 0.72 0.28 1.98 2.41 -0.56 0.00 0.00 175.26 180.09 3k1q n THR 32 N 2.70 2.17 0.28 -1.70 -1.04 0.31 -4.73 114.28 112.27 3k1q n THR 32 Ca -0.14 -1.93 -0.12 0.00 -2.04 0.00 0.00 64.05 59.83 3k1q n THR 32 Cb 0.55 -2.37 -0.05 0.00 -1.82 0.00 0.00 70.33 66.64 3k1q n THR 32 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3k1q h THR 33 N 4.50 0.00 -4.31 12.58 1.35 -1.90 -3.45 112.91 121.67 3k1q h THR 33 Ca 0.44 -0.41 -0.50 0.00 -0.55 0.00 0.00 66.41 65.39 3k1q h THR 33 Cb 0.68 0.00 0.06 0.00 -1.73 0.00 0.00 68.15 67.16 3k1q h THR 33 CO 1.90 0.00 0.40 0.54 -0.25 0.00 0.00 175.52 178.11 3k1q s ASN 34 N -4.56 6.14 0.00 5.36 2.20 -1.26 -4.96 114.94 117.86 3k1q s ASN 34 Ca -0.11 1.51 0.00 0.00 -0.94 0.00 0.00 52.86 53.32 3k1q s ASN 34 Cb 0.01 -2.49 0.00 0.00 -2.00 0.00 0.00 41.25 36.78 3k1q s ASN 34 CO 0.33 -0.93 0.80 0.33 -2.94 0.00 0.00 177.10 174.70 3k1q n PHE 35 N -2.53 0.00 -2.62 1.54 -0.00 -1.26 -4.65 117.46 107.94 3k1q n PHE 35 Ca 0.07 -0.40 -0.43 0.00 -0.00 0.00 0.00 57.45 56.68 3k1q n PHE 35 Cb 0.54 -0.26 0.00 0.00 -0.00 0.00 0.00 39.48 39.76 3k1q n PHE 35 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3k1q n ASP 36 N 1.01 5.00 0.00 -2.13 2.03 -1.26 -4.68 116.55 116.52 3k1q n ASP 36 Ca 0.00 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.33 3k1q n ASP 36 Cb 0.30 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.10 3k1q n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k1q n HIS 37 N 5.95 0.00 -0.92 -0.67 -0.00 -1.26 -4.73 115.22 113.60 3k1q n HIS 37 Ca 0.42 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.81 3k1q n HIS 37 Cb 0.42 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.53 3k1q n HIS 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k1q n ALA 38 N 0.03 -1.34 -0.01 1.59 0.00 -1.26 -4.30 120.51 115.22 3k1q n ALA 38 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 53.44 52.96 3k1q n ALA 38 Cb 0.00 -2.02 -0.01 0.00 0.00 0.00 0.00 19.45 17.42 3k1q n ALA 38 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3k1q n GLU 39 N -2.56 1.78 -3.59 0.00 2.13 0.50 -0.24 120.64 118.66 3k1q n GLU 39 Ca 0.10 0.01 -0.29 0.00 0.66 0.00 0.00 57.16 57.64 3k1q n GLU 39 Cb 0.52 -1.04 -0.12 0.00 0.27 0.00 0.00 31.44 31.06 3k1q n GLU 39 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 3k1q s TYR 40 N -2.04 1.62 -0.50 4.31 -0.00 0.25 -3.79 117.35 117.19 3k1q s TYR 40 Ca -0.02 -2.30 -0.14 0.00 -0.00 0.00 0.00 57.07 54.61 3k1q s TYR 40 Cb 0.01 -1.49 0.11 0.00 -0.00 0.00 0.00 41.96 40.59 3k1q s TYR 40 CO 0.06 -0.78 0.43 0.08 -0.00 0.00 0.00 175.55 175.34 3k1q s VAL 41 N 0.25 4.94 -1.07 -3.49 1.01 0.06 -3.19 120.40 118.91 3k1q s VAL 41 Ca 0.22 -1.46 -0.27 0.00 0.00 0.00 0.00 61.98 60.48 3k1q s VAL 41 Cb -0.14 -4.12 -0.22 0.00 0.00 0.00 0.00 36.38 31.89 3k1q s VAL 41 CO -0.07 -0.76 2.13 0.42 0.00 0.00 0.00 175.10 176.82 3k1q s THR 42 N 1.55 3.04 -1.22 3.92 -4.23 -1.26 -0.71 115.64 116.73 3k1q s THR 42 Ca 0.04 -0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 3k1q s THR 42 Cb -0.28 -3.97 0.18 0.00 1.34 0.00 0.00 72.50 69.77 3k1q s THR 42 CO 0.03 -0.07 1.49 0.00 -0.54 0.00 0.00 174.62 175.53 3k1q n GLY 44 N 3.82 -1.20 4.33 0.00 0.00 -1.26 -1.80 105.19 109.08 3k1q n GLY 44 Ca 0.37 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.91 3k1q n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1q n ARG 45 N -2.85 0.00 -2.04 1.61 5.12 -1.26 -4.97 116.66 112.27 3k1q n ARG 45 Ca -0.17 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.47 3k1q n ARG 45 Cb 0.61 -0.65 -0.05 0.00 -1.16 0.00 0.00 32.46 31.21 3k1q n ARG 45 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3k1q s TYR 46 N 0.00 1.77 -0.95 -1.55 2.02 -0.74 -4.89 117.35 113.02 3k1q s TYR 46 Ca 0.00 0.67 -0.26 0.00 -0.37 0.00 0.00 57.07 57.11 3k1q s TYR 46 Cb 0.00 -4.05 -0.18 0.00 -0.40 0.00 0.00 41.96 37.33 3k1q s TYR 46 CO 0.00 -1.85 2.25 0.95 -1.57 0.00 0.00 175.55 175.33 3k1q s THR 47 N 9.93 3.03 0.25 -0.71 -4.23 -1.25 0.17 115.64 122.82 3k1q s THR 47 Ca 0.70 -0.04 -0.31 0.00 -1.18 0.00 0.00 61.69 60.86 3k1q s THR 47 Cb -0.08 -3.54 -0.12 0.00 1.34 0.00 0.00 72.50 70.10 3k1q s THR 47 CO 0.03 -0.05 1.59 -0.38 -0.54 0.00 0.00 174.62 175.27 3k1q n ILE 48 N 8.92 0.66 -3.89 2.99 5.41 0.12 -1.74 119.36 131.82 3k1q n ILE 48 Ca 0.44 -0.16 -0.30 0.00 1.00 0.00 0.00 62.75 63.72 3k1q n ILE 48 Cb 0.45 -1.83 -0.15 0.00 -0.71 0.00 0.00 39.64 37.40 3k1q n ILE 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k1q h ALA 50 N 7.88 1.70 -0.68 0.00 0.00 -0.83 0.29 119.26 127.63 3k1q h ALA 50 Ca -0.11 -0.13 0.23 0.00 0.00 0.00 0.00 54.91 54.90 3k1q h ALA 50 Cb 1.03 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 3k1q h ALA 50 CO 0.47 0.22 0.18 1.19 0.00 0.00 0.00 179.25 181.32 3k1q n PHE 51 N -4.37 0.60 -0.41 0.00 3.72 -0.97 -2.12 117.46 113.90 3k1q n PHE 51 Ca -0.01 0.81 0.01 0.00 -0.05 0.00 0.00 57.45 58.20 3k1q n PHE 51 Cb 0.20 -1.11 0.01 0.00 -0.94 0.00 0.00 39.48 37.63 3k1q n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k1q n LEU 53 N -0.40 0.00 0.00 0.00 4.77 -0.69 -4.13 117.00 116.55 3k1q n LEU 53 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3k1q n LEU 53 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3k1q n LEU 53 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 3k1q n THR 54 N -0.20 0.00 -4.02 -5.08 -1.04 -1.24 -4.62 114.28 98.08 3k1q n THR 54 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3k1q n THR 54 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 3k1q n THR 54 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3k1q s THR 55 N 0.00 0.30 0.00 12.58 -4.23 -1.26 -0.77 115.64 122.26 3k1q s THR 55 Ca 0.00 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 3k1q s THR 55 Cb 0.00 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.37 3k1q s THR 55 CO 0.00 -0.47 0.00 0.18 -0.54 0.00 0.00 174.62 173.79 3k1q n LEU 56 N 1.47 0.00 -4.73 4.79 4.77 -0.71 -4.73 117.00 117.85 3k1q n LEU 56 Ca -0.23 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.41 3k1q n LEU 56 Cb 0.55 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.56 3k1q n LEU 56 CO 0.21 0.00 -0.28 0.00 -1.33 0.00 0.00 177.39 175.99 3k1q s ALA 57 N 0.00 3.44 0.61 -1.18 0.00 -1.26 -4.84 121.76 118.53 3k1q s ALA 57 Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 3k1q s ALA 57 Cb 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 3k1q s ALA 57 CO 0.00 0.64 1.27 -0.35 0.00 0.00 0.00 175.76 177.32 3k1q n PRO 58 N 1.60 1.25 -0.24 0.00 -0.04 -1.26 -4.49 135.00 131.81 3k1q n PRO 58 Ca -0.16 0.48 -0.07 0.00 -0.04 0.00 0.00 63.50 63.71 3k1q n PRO 58 Cb 0.53 -2.50 0.04 0.00 -0.04 0.00 0.00 33.50 31.54 3k1q n PRO 58 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3k1q h HIS 59 N 0.78 1.02 -4.38 0.54 3.86 -1.90 -3.46 115.15 111.61 3k1q h HIS 59 Ca -0.51 -0.08 -0.34 0.00 -1.16 0.00 0.00 60.37 58.28 3k1q h HIS 59 Cb 1.33 -0.31 -0.09 0.00 1.06 0.00 0.00 27.41 29.40 3k1q h HIS 59 CO 0.42 0.80 -0.28 0.00 0.86 0.00 0.00 177.93 179.72 3k1q s ALA 60 N -5.55 1.14 -0.88 2.45 0.00 -1.26 -5.02 121.76 112.65 3k1q s ALA 60 Ca -0.13 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.14 3k1q s ALA 60 Cb 0.14 1.26 0.10 0.00 0.00 0.00 0.00 23.12 24.62 3k1q s ALA 60 CO 0.81 -0.75 0.67 0.09 0.00 0.00 0.00 175.76 176.59 3k1q n ASN 61 N -1.49 1.65 -4.30 0.00 4.13 -1.26 -4.73 115.26 109.26 3k1q n ASN 61 Ca 0.03 -2.12 -0.44 0.00 1.68 0.00 0.00 54.58 53.73 3k1q n ASN 61 Cb 0.62 -0.52 -0.01 0.00 -1.54 0.00 0.00 39.78 38.33 3k1q n ASN 61 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3k1q n VAL 62 N 0.09 4.43 0.25 2.41 0.31 -1.26 -4.89 118.33 119.66 3k1q n VAL 62 Ca 0.04 -5.37 0.16 0.00 -0.01 0.00 0.00 64.34 59.15 3k1q n VAL 62 Cb 0.38 -2.55 0.69 0.00 -0.91 0.00 0.00 33.84 31.45 3k1q n VAL 62 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3k1q h LYS 63 N 6.53 0.00 0.06 5.55 6.56 -1.98 -0.68 116.57 132.61 3k1q h LYS 63 Ca 0.18 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.77 3k1q h LYS 63 Cb 0.86 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.52 3k1q h LYS 63 CO 1.01 0.00 -0.03 1.79 -2.06 0.00 0.00 179.45 180.16 3k1q h THR 64 N 0.00 1.06 -0.18 -0.16 1.35 -1.98 0.31 112.91 113.31 3k1q h THR 64 Ca 0.07 -0.41 -0.13 0.00 -0.55 0.00 0.00 66.41 65.39 3k1q h THR 64 Cb 1.03 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 3k1q h THR 64 CO -0.00 0.10 -0.45 0.16 -0.25 0.00 0.00 175.52 175.08 3k1q h ILE 65 N -0.26 1.32 -0.49 6.82 3.07 -1.59 -2.05 117.51 124.32 3k1q h ILE 65 Ca -0.01 -1.65 -0.01 0.00 1.55 0.00 0.00 64.86 64.75 3k1q h ILE 65 Cb 0.23 1.68 -0.02 0.00 -0.27 0.00 0.00 36.82 38.44 3k1q h ILE 65 CO 0.01 0.51 0.29 1.56 -1.05 0.00 0.00 178.15 179.47 3k1q h GLN 66 N 0.36 0.68 -0.41 0.16 7.50 -1.23 0.14 115.11 122.31 3k1q h GLN 66 Ca 0.02 -0.07 -0.05 0.00 0.50 0.00 0.00 58.65 59.05 3k1q h GLN 66 Cb 0.94 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 28.31 3k1q h GLN 66 CO 0.08 0.51 0.04 -0.44 -1.50 0.00 0.00 178.83 177.52 3k1q h ASP 67 N 0.66 0.59 -0.58 1.46 3.32 -1.02 -2.58 116.42 118.26 3k1q h ASP 67 Ca 0.18 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.13 3k1q h ASP 67 Cb 0.02 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3k1q h ASP 67 CO -0.03 0.63 0.37 0.28 -1.72 0.00 0.00 179.24 178.77 3k1q h SER 68 N 0.61 0.62 -0.81 6.45 0.02 -1.05 0.53 113.55 119.92 3k1q h SER 68 Ca 0.13 -0.01 0.20 0.00 -0.84 0.00 0.00 61.79 61.27 3k1q h SER 68 Cb 0.32 -0.14 -0.13 0.00 0.14 0.00 0.00 62.40 62.59 3k1q h SER 68 CO 0.01 0.44 0.14 0.45 -1.14 0.00 0.00 176.83 176.72 3k1q h HIS 69 N 0.74 0.18 0.04 3.45 3.86 -0.35 -0.44 115.15 122.63 3k1q h HIS 69 Ca 0.23 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.49 3k1q h HIS 69 Cb -0.02 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3k1q h HIS 69 CO -0.05 -0.20 -0.02 0.00 0.86 0.00 0.00 177.93 178.52 3k1q h ALA 70 N 1.72 -0.96 -0.93 2.45 0.00 -1.09 -3.05 119.26 117.40 3k1q h ALA 70 Ca 0.47 -0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.72 3k1q h ALA 70 Cb 0.88 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.63 3k1q h ALA 70 CO -0.63 -0.95 0.56 0.00 0.00 0.00 0.00 179.25 178.22 3k1q h SER 72 N 0.00 0.25 -0.28 0.00 0.02 -0.96 0.24 113.55 112.82 3k1q h SER 72 Ca 0.67 0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 61.60 3k1q h SER 72 Cb 1.99 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 64.53 3k1q h SER 72 CO -0.48 0.10 0.17 -2.11 -1.14 0.00 0.00 176.83 173.37 3k1q n ARG 73 N -5.01 1.46 -0.34 3.45 1.85 0.18 -4.35 116.66 113.90 3k1q n ARG 73 Ca 0.13 -0.89 0.18 0.00 -1.00 0.00 0.00 57.85 56.27 3k1q n ARG 73 Cb 0.39 -1.39 0.39 0.00 -1.05 0.00 0.00 32.46 30.80 3k1q n ARG 73 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 3k1q h GLN 74 N 0.40 0.56 -0.96 2.89 5.75 -0.43 0.13 115.11 123.46 3k1q h GLN 74 Ca 0.17 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.72 3k1q h GLN 74 Cb 1.48 -0.13 -0.07 0.00 1.07 0.00 0.00 27.48 29.83 3k1q h GLN 74 CO 0.30 0.37 0.62 -1.35 -2.65 0.00 0.00 178.83 176.12 3k1q h PRO 75 N 0.58 1.01 -0.04 -2.39 0.11 -1.82 -2.36 132.00 127.08 3k1q h PRO 75 Ca 0.63 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.60 3k1q h PRO 75 Cb 1.22 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3k1q h PRO 75 CO -0.44 0.67 -0.28 -0.97 -0.21 0.00 0.00 178.00 176.76 3k1q h ASN 76 N 1.04 0.32 0.30 -2.05 -0.73 -1.28 0.22 115.58 113.40 3k1q h ASN 76 Ca 0.43 -0.68 0.00 0.00 1.87 0.00 0.00 56.30 57.93 3k1q h ASN 76 Cb 0.30 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.77 3k1q h ASN 76 CO -0.19 0.95 -0.36 -0.08 -0.37 0.00 0.00 177.43 177.38 3k1q h GLU 77 N -0.28 -0.68 -0.81 6.67 4.81 -0.91 -1.54 114.58 121.84 3k1q h GLU 77 Ca -0.02 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.38 3k1q h GLU 77 Cb 0.95 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.40 3k1q h GLU 77 CO 0.06 -0.45 0.42 0.00 -0.73 0.00 0.00 179.01 178.30 3k1q h ALA 78 N -0.22 1.17 -0.40 2.92 0.00 -1.36 -1.19 119.26 120.18 3k1q h ALA 78 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3k1q h ALA 78 Cb 0.66 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3k1q h ALA 78 CO -0.10 -0.05 0.13 -0.84 0.00 0.00 0.00 179.25 178.39 3k1q h ILE 79 N 0.64 1.21 0.11 0.00 3.07 -0.96 -1.22 117.51 120.36 3k1q h ILE 79 Ca 0.42 -0.70 0.01 0.00 1.55 0.00 0.00 64.86 66.14 3k1q h ILE 79 Cb 0.52 0.91 -0.02 0.00 -0.27 0.00 0.00 36.82 37.97 3k1q h ILE 79 CO -0.32 0.25 -0.13 -0.09 -1.05 0.00 0.00 178.15 176.81 3k1q h ARG 80 N 0.50 -0.27 -0.71 0.16 1.12 -0.60 -0.21 114.38 114.38 3k1q h ARG 80 Ca 0.13 0.02 0.01 0.00 -1.11 0.00 0.00 59.98 59.02 3k1q h ARG 80 Cb 0.25 0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.24 3k1q h ARG 80 CO -0.00 -0.18 0.47 0.77 -3.11 0.00 0.00 179.97 177.92 3k1q h SER 81 N -0.28 0.81 -0.28 -3.80 0.02 -1.04 -1.97 113.55 107.02 3k1q h SER 81 Ca 0.01 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3k1q h SER 81 Cb 0.28 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3k1q h SER 81 CO -0.05 0.59 0.14 0.25 -1.14 0.00 0.00 176.83 176.62 3k1q h LEU 82 N 0.96 0.36 -0.51 5.07 5.85 -0.93 0.11 115.31 126.23 3k1q h LEU 82 Ca 0.26 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 3k1q h LEU 82 Cb -0.11 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3k1q h LEU 82 CO -0.06 0.37 -0.12 0.58 -0.34 0.00 0.00 178.44 178.87 3k1q h VAL 83 N 0.33 1.27 0.12 1.05 2.07 -0.98 -0.10 116.25 120.01 3k1q h VAL 83 Ca 0.10 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3k1q h VAL 83 Cb 0.09 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3k1q h VAL 83 CO -0.01 0.44 -0.33 -0.33 0.02 0.00 0.00 177.57 177.36 3k1q h GLU 84 N 0.84 -0.48 -0.22 1.57 4.39 -0.33 -1.85 114.58 118.50 3k1q h GLU 84 Ca 0.13 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.88 3k1q h GLU 84 Cb 0.68 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.41 3k1q h GLU 84 CO 0.05 -0.32 -0.13 0.28 -1.16 0.00 0.00 179.01 177.73 3k1q n VAL 85 N -4.30 -0.15 -0.10 3.13 0.31 0.24 -1.14 118.33 116.32 3k1q n VAL 85 Ca -0.06 1.35 0.18 0.00 -0.01 0.00 0.00 64.34 65.80 3k1q n VAL 85 Cb 0.26 -1.74 0.60 0.00 -0.91 0.00 0.00 33.84 32.04 3k1q n VAL 85 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3k1q h SER 86 N 0.00 0.20 -1.03 4.52 0.02 -0.83 0.80 113.55 117.24 3k1q h SER 86 Ca 0.04 0.01 -0.67 0.00 -0.84 0.00 0.00 61.79 60.32 3k1q h SER 86 Cb 0.09 -0.03 -0.30 0.00 0.14 0.00 0.00 62.40 62.30 3k1q h SER 86 CO -0.21 0.10 0.74 0.47 -1.14 0.00 0.00 176.83 176.80 3k1q n ASP 87 N -4.42 7.47 0.00 3.07 8.00 -0.29 -4.04 116.55 126.34 3k1q n ASP 87 Ca 0.13 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.84 3k1q n ASP 87 Cb 0.60 -0.93 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3k1q n ASP 87 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3k1q n LYS 88 N -0.88 0.00 -3.65 -1.24 5.02 -0.57 -1.71 118.16 115.14 3k1q n LYS 88 Ca 0.61 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.90 3k1q n LYS 88 Cb 0.66 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.61 3k1q n LYS 88 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k1q s ALA 89 N -1.85 -2.46 0.28 7.82 0.00 0.27 -3.30 121.76 122.52 3k1q s ALA 89 Ca 0.00 2.07 -0.19 0.00 0.00 0.00 0.00 51.96 53.83 3k1q s ALA 89 Cb 0.00 -1.84 0.06 0.00 0.00 0.00 0.00 23.12 21.33 3k1q s ALA 89 CO 0.00 -0.32 0.87 1.14 0.00 0.00 0.00 175.76 177.46 3k1q s GLN 90 N 1.12 1.78 -0.48 0.00 1.03 -1.26 -4.00 119.66 117.85 3k1q s GLN 90 Ca -0.08 -1.10 -0.21 0.00 0.04 0.00 0.00 55.36 54.01 3k1q s GLN 90 Cb -0.03 0.52 -0.12 0.00 0.03 0.00 0.00 33.01 33.41 3k1q s GLN 90 CO -0.12 -0.83 1.45 0.25 -2.54 0.00 0.00 175.29 173.50 3k1q n THR 91 N -0.56 0.00 -1.66 3.63 -2.24 -1.26 -4.77 114.28 107.42 3k1q n THR 91 Ca -0.06 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.33 3k1q n THR 91 Cb 0.60 -0.29 0.04 0.00 -2.10 0.00 0.00 70.33 68.58 3k1q n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n ALA 92 N 5.49 0.67 -1.65 6.98 0.00 -1.26 -4.76 120.51 125.97 3k1q n ALA 92 Ca 0.36 0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.73 3k1q n ALA 92 Cb 0.00 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.16 3k1q n ALA 92 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3k1q s LEU 93 N -2.25 2.46 -0.73 0.00 2.96 -1.26 -4.84 118.68 115.02 3k1q s LEU 93 Ca 0.72 -0.97 -0.24 0.00 -0.22 0.00 0.00 54.13 53.42 3k1q s LEU 93 Cb -0.44 -2.59 0.06 0.00 0.50 0.00 0.00 46.19 43.72 3k1q s LEU 93 CO 0.50 -4.55 1.10 -0.69 -1.32 0.00 0.00 176.35 171.39 3k1q s VAL 94 N 16.31 4.15 0.49 1.68 1.01 -1.26 -4.85 120.40 137.93 3k1q s VAL 94 Ca 0.81 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.53 3k1q s VAL 94 Cb -0.05 -4.79 0.00 0.00 0.00 0.00 0.00 36.38 31.54 3k1q s VAL 94 CO 0.17 -1.61 0.00 0.61 0.00 0.00 0.00 175.10 174.27 3k1q n GLY 95 N 5.45 -3.51 2.86 4.51 0.00 -1.26 -1.64 105.19 111.60 3k1q n GLY 95 Ca 0.03 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 3k1q n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k1q s SER 96 N -5.89 0.65 0.10 1.61 0.15 -1.26 -1.99 113.70 107.06 3k1q s SER 96 Ca 0.00 -0.08 -0.30 0.00 0.70 0.00 0.00 55.95 56.28 3k1q s SER 96 Cb 0.00 -0.32 -0.12 0.00 -1.71 0.00 0.00 66.02 63.88 3k1q s SER 96 CO 0.00 -0.07 1.48 0.03 1.20 0.00 0.00 173.24 175.88 3k1q h ARG 97 N 7.13 -0.54 -1.94 5.44 3.08 -1.88 -3.33 114.38 122.34 3k1q h ARG 97 Ca -0.40 0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.64 3k1q h ARG 97 Cb 1.15 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 3k1q h ARG 97 CO 0.48 -0.36 0.05 0.25 -1.07 0.00 0.00 179.97 179.31 3k1q n THR 98 N -5.06 2.12 0.00 2.04 -2.24 -1.26 -4.91 114.28 104.96 3k1q n THR 98 Ca -0.06 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3k1q n THR 98 Cb 0.34 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 3k1q n THR 98 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3k1q n VAL 99 N 1.37 0.00 -2.85 2.28 0.31 -1.25 -4.09 118.33 114.09 3k1q n VAL 99 Ca 0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3k1q n VAL 99 Cb 0.52 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.46 3k1q n VAL 99 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k1q s ASP 100 N -4.00 -0.80 -0.05 4.52 2.15 -1.26 -4.89 116.67 112.34 3k1q s ASP 100 Ca 0.00 -0.61 0.13 0.00 0.43 0.00 0.00 52.55 52.50 3k1q s ASP 100 Cb 0.00 1.03 0.45 0.00 -0.30 0.00 0.00 42.92 44.10 3k1q s ASP 100 CO 0.00 -0.07 1.33 -1.22 -0.17 0.00 0.00 175.17 175.04 3k1q n TYR 101 N 3.50 0.84 -4.23 -5.34 4.02 -0.38 -4.92 117.16 110.65 3k1q n TYR 101 Ca 0.10 -0.36 -0.13 0.00 -0.01 0.00 0.00 57.90 57.50 3k1q n TYR 101 Cb 0.61 -0.11 -0.10 0.00 -0.02 0.00 0.00 39.34 39.72 3k1q n TYR 101 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 3k1q s HIS 102 N -1.60 1.18 -0.14 -0.72 -3.43 -1.26 -1.02 115.29 108.29 3k1q s HIS 102 Ca 0.32 -0.93 -0.13 0.00 -0.80 0.00 0.00 55.06 53.52 3k1q s HIS 102 Cb 0.19 -0.66 0.04 0.00 -1.43 0.00 0.00 32.58 30.72 3k1q s HIS 102 CO 0.18 -0.12 0.38 -2.00 -2.00 0.00 0.00 174.74 171.17 3k1q s GLU 103 N -3.86 0.43 -0.72 -0.38 2.56 -0.44 -5.02 118.70 111.28 3k1q s GLU 103 Ca 0.20 0.54 -0.06 0.00 0.00 0.00 0.00 54.97 55.65 3k1q s GLU 103 Cb 0.05 0.19 0.19 0.00 2.00 0.00 0.00 34.13 36.56 3k1q s GLU 103 CO 0.02 -0.06 0.58 -1.17 -0.56 0.00 0.00 175.26 174.07 3k1q s LEU 104 N 0.29 5.71 -1.06 2.70 2.96 -1.26 -2.10 118.68 125.92 3k1q s LEU 104 Ca -0.01 -2.94 -0.09 0.00 -0.22 0.00 0.00 54.13 50.88 3k1q s LEU 104 Cb -0.03 -1.97 0.27 0.00 0.50 0.00 0.00 46.19 44.96 3k1q s LEU 104 CO -0.00 -0.40 1.04 -1.81 -1.32 0.00 0.00 176.35 173.85 3k1q s ASP 105 N 0.99 7.10 0.00 3.68 -0.00 0.10 -4.94 116.67 123.60 3k1q s ASP 105 Ca 0.19 -3.54 -0.01 0.00 -0.00 0.00 0.00 52.55 49.19 3k1q s ASP 105 Cb -0.16 -2.17 -0.07 0.00 -0.00 0.00 0.00 42.92 40.53 3k1q s ASP 105 CO -0.06 -0.30 1.79 1.33 -0.00 0.00 0.00 175.17 177.94 3k1q n VAL 106 N 2.76 1.57 -3.27 -1.27 0.24 -1.26 -1.64 118.33 115.46 3k1q n VAL 106 Ca 0.23 -0.58 -0.35 0.00 -2.04 0.00 0.00 64.34 61.59 3k1q n VAL 106 Cb 0.40 -1.52 -0.04 0.00 -1.47 0.00 0.00 33.84 31.21 3k1q n VAL 106 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3k1q n LYS 107 N 2.05 3.41 0.00 7.34 5.02 -1.26 -4.83 118.16 129.89 3k1q n LYS 107 Ca 0.11 -4.60 0.00 0.00 -2.02 0.00 0.00 58.31 51.80 3k1q n LYS 107 Cb 0.44 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 3k1q n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k1q n ALA 108 N 1.28 0.00 -2.61 7.82 0.00 -1.26 -4.50 120.51 121.23 3k1q n ALA 108 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 3k1q n ALA 108 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 3k1q n ALA 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k1q s GLY 109 N 0.00 1.81 -0.81 0.00 0.00 -1.26 -4.12 107.32 102.95 3k1q s GLY 109 Ca 0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 44.72 43.83 3k1q s GLY 109 CO 0.00 1.35 1.59 -1.36 0.00 0.00 0.00 173.10 174.68 3k1q s PHE 110 N 2.45 2.09 -1.00 1.90 0.40 0.23 -4.82 117.98 119.23 3k1q s PHE 110 Ca 0.23 0.10 -0.23 0.00 -0.60 0.00 0.00 56.93 56.43 3k1q s PHE 110 Cb -0.15 -4.40 -0.00 0.00 0.51 0.00 0.00 43.02 38.98 3k1q s PHE 110 CO 0.10 -2.04 1.73 0.08 0.70 0.00 0.00 175.22 175.79 3k1q s VAL 111 N 7.23 3.70 -0.61 -0.44 1.01 -0.65 -2.29 120.40 128.35 3k1q s VAL 111 Ca 0.52 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3k1q s VAL 111 Cb -0.07 -4.57 0.15 0.00 0.00 0.00 0.00 36.38 31.89 3k1q s VAL 111 CO 0.07 -1.44 0.40 0.00 0.00 0.00 0.00 175.10 174.14 3k1q s ALA 112 N 7.65 3.53 0.13 5.51 0.00 0.13 0.00 121.76 138.72 3k1q s ALA 112 Ca 0.59 -3.35 -0.30 0.00 0.00 0.00 0.00 51.96 48.90 3k1q s ALA 112 Cb -0.03 -2.46 -0.07 0.00 0.00 0.00 0.00 23.12 20.57 3k1q s ALA 112 CO -0.03 -2.08 1.15 -1.25 0.00 0.00 0.00 175.76 173.56 3k1q s PRO 113 N -0.32 4.51 -0.26 0.00 0.04 -0.89 -0.89 135.00 137.18 3k1q s PRO 113 Ca 0.18 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 3k1q s PRO 113 Cb -0.21 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.03 3k1q s PRO 113 CO -0.03 -0.09 0.04 0.99 0.04 0.00 0.00 177.00 177.94 3k1q s THR 114 N 0.33 3.79 -0.13 1.26 2.01 0.11 -1.32 115.64 121.69 3k1q s THR 114 Ca 0.54 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.98 3k1q s THR 114 Cb -0.30 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.37 3k1q s THR 114 CO 0.33 0.23 -0.13 0.00 -0.69 0.00 0.00 174.62 174.35 3k1q s ALA 115 N 1.50 1.71 0.00 7.40 0.00 -0.19 -0.58 121.76 131.61 3k1q s ALA 115 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3k1q s ALA 115 Cb -0.16 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.01 3k1q s ALA 115 CO 0.01 -0.28 0.00 -3.47 0.00 0.00 0.00 175.76 172.01 3k1q n ASP 116 N 4.61 0.00 -3.57 0.00 -0.08 0.93 -3.66 116.55 114.77 3k1q n ASP 116 Ca -0.17 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.80 3k1q n ASP 116 Cb 0.50 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.91 3k1q n ASP 116 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3k1q n GLU 117 N 0.00 3.01 0.00 -0.67 1.02 -1.26 -4.25 120.64 118.48 3k1q n GLU 117 Ca 0.00 -4.65 0.00 0.00 -0.02 0.00 0.00 57.16 52.49 3k1q n GLU 117 Cb 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.10 3k1q n GLU 117 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3k1q n THR 118 N 0.98 0.00 -3.89 2.62 -2.24 -1.24 -4.13 114.28 106.38 3k1q n THR 118 Ca 0.29 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.10 3k1q n THR 118 Cb 0.39 -0.01 0.01 0.00 -2.10 0.00 0.00 70.33 68.62 3k1q n THR 118 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3k1q s ILE 119 N 0.00 0.00 -0.51 2.28 -4.36 -0.72 -1.24 121.20 116.65 3k1q s ILE 119 Ca 0.00 -0.14 0.03 0.00 -0.26 0.00 0.00 60.65 60.28 3k1q s ILE 119 Cb 0.00 -2.69 0.14 0.00 1.25 0.00 0.00 42.46 41.16 3k1q s ILE 119 CO 0.00 0.00 0.31 0.00 0.24 0.00 0.00 174.94 175.49 3k1q s ALA 120 N -2.09 2.66 0.24 2.27 0.00 -1.21 -0.92 121.76 122.71 3k1q s ALA 120 Ca 0.26 -2.98 -0.06 0.00 0.00 0.00 0.00 51.96 49.17 3k1q s ALA 120 Cb 0.01 -1.97 0.23 0.00 0.00 0.00 0.00 23.12 21.39 3k1q s ALA 120 CO -0.02 -2.05 1.86 -1.00 0.00 0.00 0.00 175.76 174.55 3k1q h PRO 121 N 6.29 1.26 -6.61 0.00 0.13 -1.88 -3.46 132.00 127.72 3k1q h PRO 121 Ca 0.04 -0.14 -0.57 0.00 -0.87 0.00 0.00 66.00 64.45 3k1q h PRO 121 Cb 0.88 -0.25 0.08 0.00 0.13 0.00 0.00 31.00 31.84 3k1q h PRO 121 CO 0.56 0.91 0.73 0.45 -0.23 0.00 0.00 178.00 180.42 3k1q n SER 122 N -4.33 3.09 -0.06 1.44 2.88 -1.11 -4.93 113.62 110.60 3k1q n SER 122 Ca 0.10 1.12 -0.07 0.00 -1.33 0.00 0.00 58.87 58.69 3k1q n SER 122 Cb 0.09 -1.46 -0.08 0.00 -0.75 0.00 0.00 64.21 62.01 3k1q n SER 122 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3k1q n LYS 123 N 2.49 1.48 0.00 -1.46 3.00 -1.26 -5.00 118.16 117.41 3k1q n LYS 123 Ca 0.13 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 3k1q n LYS 123 Cb 0.32 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 34.07 3k1q n LYS 123 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3k1q n ASP 124 N -2.60 0.00 0.00 3.14 8.00 -1.26 -4.87 116.55 118.96 3k1q n ASP 124 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 3k1q n ASP 124 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 3k1q n ASP 124 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3k1q n ILE 125 N 0.00 0.00 -0.54 0.53 -5.35 -1.26 -3.99 119.36 108.75 3k1q n ILE 125 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 3k1q n ILE 125 Cb 0.00 0.00 0.23 0.00 -1.74 0.00 0.00 39.64 38.13 3k1q n ILE 125 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3k1q n VAL 126 N 0.00 0.00 -2.74 7.28 0.31 -1.21 -1.51 118.33 120.46 3k1q n VAL 126 Ca 0.00 -0.41 -0.14 0.00 -0.01 0.00 0.00 64.34 63.78 3k1q n VAL 126 Cb 0.00 -0.86 0.02 0.00 -0.91 0.00 0.00 33.84 32.09 3k1q n VAL 126 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k1q n GLU 127 N -4.02 -3.13 -0.33 5.55 1.02 -1.22 -3.90 120.64 114.61 3k1q n GLU 127 Ca 0.02 0.58 0.12 0.00 -0.02 0.00 0.00 57.16 57.86 3k1q n GLU 127 Cb 0.57 -4.76 0.33 0.00 -0.02 0.00 0.00 31.44 27.55 3k1q n GLU 127 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3k1q h LEU 128 N -0.89 0.77 -8.15 -4.62 5.85 -1.56 -2.39 115.31 104.32 3k1q h LEU 128 Ca -0.34 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.34 3k1q h LEU 128 Cb 1.23 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3k1q h LEU 128 CO 0.36 0.34 0.32 -2.16 -0.34 0.00 0.00 178.44 176.97 3k1q s PRO 129 N -5.81 1.70 -0.98 5.25 0.04 -1.26 -4.36 135.00 129.58 3k1q s PRO 129 Ca -0.11 -0.31 -0.08 0.00 0.04 0.00 0.00 61.00 60.54 3k1q s PRO 129 Cb 0.23 -4.99 0.08 0.00 0.04 0.00 0.00 34.50 29.86 3k1q s PRO 129 CO 0.80 -4.69 0.31 1.19 0.04 0.00 0.00 177.00 174.64 3k1q n PHE 130 N 17.75 -1.69 -4.33 0.56 3.72 -1.24 -4.95 117.46 127.29 3k1q n PHE 130 Ca 0.43 0.32 -0.17 0.00 -0.05 0.00 0.00 57.45 57.98 3k1q n PHE 130 Cb 0.46 -2.11 -0.10 0.00 -0.94 0.00 0.00 39.48 36.79 3k1q n PHE 130 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3k1q s ARG 131 N -5.84 1.37 -0.16 -1.08 1.81 -0.90 -5.05 118.95 109.09 3k1q s ARG 131 Ca 0.32 -1.71 -0.29 0.00 -1.72 0.00 0.00 55.73 52.33 3k1q s ARG 131 Cb -0.18 -0.51 -0.01 0.00 -0.45 0.00 0.00 34.95 33.80 3k1q s ARG 131 CO 0.39 -0.17 1.24 0.95 -0.68 0.00 0.00 175.30 177.04 3k1q s THR 132 N -3.53 4.30 0.19 0.02 -4.23 -1.24 -4.39 115.64 106.76 3k1q s THR 132 Ca 0.31 1.58 -0.15 0.00 -1.18 0.00 0.00 61.69 62.26 3k1q s THR 132 Cb 0.07 -4.02 0.19 0.00 1.34 0.00 0.00 72.50 70.08 3k1q s THR 132 CO 0.10 -0.13 1.28 0.00 -0.54 0.00 0.00 174.62 175.34 3k1q s ASP 134 N -5.30 6.29 1.55 0.00 1.01 -1.26 -4.01 116.67 114.95 3k1q s ASP 134 Ca -0.11 -2.09 0.00 0.00 0.71 0.00 0.00 52.55 51.05 3k1q s ASP 134 Cb 0.17 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.92 3k1q s ASP 134 CO 0.59 -0.75 0.00 0.18 0.21 0.00 0.00 175.17 175.40 3k1q n LEU 135 N 4.80 0.00 -1.46 1.23 4.77 -1.16 -0.31 117.00 124.87 3k1q n LEU 135 Ca -0.05 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 3k1q n LEU 135 Cb 0.42 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.70 3k1q n LEU 135 CO 0.46 0.00 0.82 -0.67 -1.33 0.00 0.00 177.39 176.68 3k1q n ASP 136 N 7.34 2.95 -0.03 -1.43 2.03 -1.26 -3.71 116.55 122.43 3k1q n ASP 136 Ca 0.00 -3.76 -0.02 0.00 0.52 0.00 0.00 54.79 51.53 3k1q n ASP 136 Cb 0.00 -0.68 -0.06 0.00 -0.72 0.00 0.00 41.12 39.65 3k1q n ASP 136 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3k1q n ASP 137 N -1.11 3.02 -0.10 1.67 5.75 0.58 -4.50 116.55 121.86 3k1q n ASP 137 Ca 0.40 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 55.22 3k1q n ASP 137 Cb 1.16 0.86 0.07 0.00 -1.03 0.00 0.00 41.12 42.18 3k1q n ASP 137 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3k1q n SER 138 N -2.18 -0.05 0.22 -1.12 7.64 -1.06 -1.30 113.62 115.77 3k1q n SER 138 Ca -0.10 0.48 -0.17 0.00 1.01 0.00 0.00 58.87 60.09 3k1q n SER 138 Cb 0.64 -0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 63.58 3k1q n SER 138 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3k1q h SER 139 N 0.00 -1.25 -0.21 6.43 4.64 -1.90 0.06 113.55 121.32 3k1q h SER 139 Ca 0.16 0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.50 3k1q h SER 139 Cb 0.32 0.43 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3k1q h SER 139 CO -0.27 -0.58 -0.25 0.00 -0.87 0.00 0.00 176.83 174.86 3k1q h ALA 140 N -0.53 0.31 -0.18 5.18 0.00 -1.73 -3.25 119.26 119.06 3k1q h ALA 140 Ca -0.03 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 3k1q h ALA 140 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3k1q h ALA 140 CO -0.12 0.29 -0.50 1.79 0.00 0.00 0.00 179.25 180.71 3k1q h THR 141 N 0.22 1.32 -0.22 0.00 1.35 -0.84 -2.15 112.91 112.59 3k1q h THR 141 Ca 0.03 -1.73 0.06 0.00 -0.55 0.00 0.00 66.41 64.22 3k1q h THR 141 Cb 0.82 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.96 3k1q h THR 141 CO 0.06 0.53 0.18 0.00 -0.25 0.00 0.00 175.52 176.05 3k1q h ALA 142 N 1.07 2.04 -0.46 6.62 0.00 -1.06 0.46 119.26 127.94 3k1q h ALA 142 Ca 0.02 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3k1q h ALA 142 Cb 1.02 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 3k1q h ALA 142 CO 0.09 -0.30 -0.48 0.00 0.00 0.00 0.00 179.25 178.56 3k1q h VAL 144 N -0.33 0.99 0.00 0.00 2.07 -1.41 -2.97 116.25 114.61 3k1q h VAL 144 Ca 0.12 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3k1q h VAL 144 Cb 0.58 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3k1q h VAL 144 CO -0.62 0.00 0.00 0.54 0.02 0.00 0.00 177.57 177.52 3k1q n ARG 145 N -5.08 0.94 0.02 1.57 1.74 0.07 -0.37 116.66 115.54 3k1q n ARG 145 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3k1q n ARG 145 Cb 0.04 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 3k1q n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3k1q n ASN 146 N 0.19 -0.01 -0.08 0.55 2.85 -0.70 -2.05 115.26 116.01 3k1q n ASN 146 Ca 0.00 0.08 -0.20 0.00 -0.11 0.00 0.00 54.58 54.35 3k1q n ASN 146 Cb 0.31 0.06 -0.12 0.00 1.24 0.00 0.00 39.78 41.26 3k1q n ASN 146 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 3k1q h HIS 147 N 0.00 0.08 0.15 1.20 6.17 -1.40 -3.39 115.15 117.96 3k1q h HIS 147 Ca 0.00 -0.06 -0.01 0.00 0.71 0.00 0.00 60.37 61.01 3k1q h HIS 147 Cb 0.09 -0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.02 3k1q h HIS 147 CO 0.00 1.40 -0.07 0.00 0.71 0.00 0.00 177.93 179.97 3k1q n GLN 149 N -3.81 0.67 -1.54 0.00 7.27 0.50 -1.32 117.38 119.15 3k1q n GLN 149 Ca -0.02 -2.82 -0.25 0.00 0.07 0.00 0.00 57.00 53.97 3k1q n GLN 149 Cb 0.08 -1.32 -0.09 0.00 2.41 0.00 0.00 30.24 31.31 3k1q n GLN 149 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3k1q n ALA 150 N 1.65 0.59 -0.81 1.69 0.00 -1.24 -3.75 120.51 118.64 3k1q n ALA 150 Ca 0.19 -1.04 -0.14 0.00 0.00 0.00 0.00 53.44 52.45 3k1q n ALA 150 Cb 0.55 -3.02 0.03 0.00 0.00 0.00 0.00 19.45 17.02 3k1q n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1q n GLY 151 N 6.33 3.88 0.93 0.00 0.00 -0.87 -4.11 105.19 111.34 3k1q n GLY 151 Ca 0.49 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3k1q n GLY 151 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k1q n HIS 152 N 0.46 0.00 -0.67 1.61 8.25 -0.09 -2.75 115.22 122.03 3k1q n HIS 152 Ca 0.26 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.44 3k1q n HIS 152 Cb 0.58 0.15 0.15 0.00 1.12 0.00 0.00 29.99 31.99 3k1q n HIS 152 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3k1q n ASP 153 N -1.95 -2.67 0.00 0.41 5.68 -1.05 -0.47 116.55 116.50 3k1q n ASP 153 Ca 0.00 -0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 3k1q n ASP 153 Cb 0.00 -0.82 0.00 0.00 -1.14 0.00 0.00 41.12 39.16 3k1q n ASP 153 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k1q n GLY 154 N 2.38 -0.55 0.00 6.12 0.00 -1.25 -1.75 105.19 110.15 3k1q n GLY 154 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3k1q n GLY 154 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k1q n VAL 155 N 0.00 0.00 -1.82 1.61 0.31 -1.26 -2.64 118.33 114.52 3k1q n VAL 155 Ca 0.00 1.10 -0.38 0.00 -0.01 0.00 0.00 64.34 65.05 3k1q n VAL 155 Cb 0.00 -1.98 0.05 0.00 -0.91 0.00 0.00 33.84 31.00 3k1q n VAL 155 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3k1q n ILE 156 N -0.97 3.56 -3.96 2.52 -5.35 -1.26 -3.90 119.36 110.00 3k1q n ILE 156 Ca 0.00 -4.05 -0.19 0.00 -0.27 0.00 0.00 62.75 58.24 3k1q n ILE 156 Cb 0.00 -1.22 -0.17 0.00 -1.74 0.00 0.00 39.64 36.51 3k1q n ILE 156 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3k1q s HIS 157 N -4.01 0.50 0.00 4.28 3.76 -1.08 -4.34 115.29 114.40 3k1q s HIS 157 Ca 0.54 -0.08 -0.00 0.00 -0.15 0.00 0.00 55.06 55.37 3k1q s HIS 157 Cb 0.45 -0.56 0.00 0.00 1.11 0.00 0.00 32.58 33.58 3k1q s HIS 157 CO -0.33 -0.19 0.01 -0.11 -0.85 0.00 0.00 174.74 173.27 3k1q n LEU 158 N 4.36 -3.14 -3.90 0.89 7.94 -1.26 -3.75 117.00 118.13 3k1q n LEU 158 Ca -0.21 1.82 -0.43 0.00 -1.11 0.00 0.00 56.01 56.08 3k1q n LEU 158 Cb 0.50 -2.29 0.01 0.00 0.53 0.00 0.00 43.42 42.17 3k1q n LEU 158 CO 0.20 -2.24 1.63 -0.81 -1.11 0.00 0.00 177.39 175.05 3k1q n PRO 159 N 1.96 4.04 0.00 1.96 -0.04 -1.26 -3.61 135.00 138.05 3k1q n PRO 159 Ca -0.01 -3.96 0.00 0.00 -0.04 0.00 0.00 63.50 59.48 3k1q n PRO 159 Cb 0.02 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 3k1q n PRO 159 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3k1q n ILE 160 N 2.39 0.00 1.12 0.52 -5.35 -0.47 -1.84 119.36 115.73 3k1q n ILE 160 Ca 0.35 0.30 0.03 0.00 -0.27 0.00 0.00 62.75 63.16 3k1q n ILE 160 Cb 0.34 -0.75 0.16 0.00 -1.74 0.00 0.00 39.64 37.65 3k1q n ILE 160 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3k1q n LEU 161 N -0.17 0.00 -3.75 7.28 4.77 0.27 -1.44 117.00 123.95 3k1q n LEU 161 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 3k1q n LEU 161 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 3k1q n LEU 161 CO 0.00 0.00 -0.21 -0.55 -1.33 0.00 0.00 177.39 175.30 3k1q s SER 162 N -1.61 3.74 0.00 -1.43 0.15 -0.46 -2.01 113.70 112.08 3k1q s SER 162 Ca 0.08 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 53.78 3k1q s SER 162 Cb 0.04 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.17 3k1q s SER 162 CO 0.06 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3k1q n GLY 163 N 3.13 2.10 2.69 9.45 0.00 -0.97 -4.71 105.19 116.88 3k1q n GLY 163 Ca 0.12 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 3k1q n GLY 163 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k1q n ASP 164 N 0.00 7.27 0.00 1.61 5.68 -0.55 -4.94 116.55 125.62 3k1q n ASP 164 Ca 0.00 -3.54 0.00 0.00 -0.50 0.00 0.00 54.79 50.75 3k1q n ASP 164 Cb 0.00 -1.17 0.00 0.00 -1.14 0.00 0.00 41.12 38.81 3k1q n ASP 164 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3k1q n PHE 165 N 0.25 0.00 -3.92 2.11 3.01 -0.52 -3.88 117.46 114.50 3k1q n PHE 165 Ca 0.52 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.68 3k1q n PHE 165 Cb 0.33 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.64 3k1q n PHE 165 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3k1q s LYS 166 N -1.52 1.53 0.00 -1.08 -0.14 -1.26 -4.29 119.74 112.98 3k1q s LYS 166 Ca 0.00 -0.95 0.27 0.00 -1.36 0.00 0.00 55.97 53.93 3k1q s LYS 166 Cb 0.00 -2.55 1.47 0.00 -1.68 0.00 0.00 37.83 35.07 3k1q s LYS 166 CO 0.00 -0.61 1.95 1.28 -0.76 0.00 0.00 175.35 177.21 3k1q n LEU 167 N 4.70 0.00 0.06 3.17 4.32 -1.25 -0.73 117.00 127.26 3k1q n LEU 167 Ca -0.11 0.18 0.21 0.00 -0.02 0.00 0.00 56.01 56.27 3k1q n LEU 167 Cb 0.44 -0.18 0.74 0.00 -1.62 0.00 0.00 43.42 42.80 3k1q n LEU 167 CO 0.17 -0.02 1.19 -0.65 -1.22 0.00 0.00 177.39 176.86 3k1q h PRO 168 N 0.00 0.00 0.00 3.23 0.11 -1.88 -3.15 132.00 130.31 3k1q h PRO 168 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3k1q h PRO 168 Cb 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3k1q h PRO 168 CO 0.00 0.00 -1.31 0.09 -0.21 0.00 0.00 178.00 176.57 3k1q n ASN 169 N -3.95 3.86 -4.72 -2.05 4.13 -0.20 -2.03 115.26 110.30 3k1q n ASN 169 Ca 0.08 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.99 3k1q n ASN 169 Cb 0.61 0.67 -0.08 0.00 -1.54 0.00 0.00 39.78 39.44 3k1q n ASN 169 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3k1q s GLU 170 N -2.13 4.10 0.20 3.52 2.02 0.09 -4.84 118.70 121.66 3k1q s GLU 170 Ca -0.02 -0.24 -0.08 0.00 0.02 0.00 0.00 54.97 54.65 3k1q s GLU 170 Cb 0.02 -3.36 0.30 0.00 0.10 0.00 0.00 34.13 31.19 3k1q s GLU 170 CO 0.19 0.33 1.19 1.58 0.02 0.00 0.00 175.26 178.56 3k1q n HIS 171 N 3.42 0.21 -0.11 1.61 -0.00 -1.26 -4.49 115.22 114.60 3k1q n HIS 171 Ca -0.16 0.93 0.00 0.00 0.46 0.00 0.00 57.72 58.95 3k1q n HIS 171 Cb 0.52 -0.90 0.00 0.00 -0.12 0.00 0.00 29.99 29.49 3k1q n HIS 171 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3k1q n PRO 172 N -5.21 0.53 -4.32 1.57 -0.04 -1.26 -3.68 135.00 122.60 3k1q n PRO 172 Ca 0.11 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.30 3k1q n PRO 172 Cb 0.36 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.72 3k1q n PRO 172 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k1q s THR 173 N -0.23 2.99 -0.30 0.52 -4.23 -1.26 -2.23 115.64 110.91 3k1q s THR 173 Ca 0.00 -1.71 -0.06 0.00 -1.18 0.00 0.00 61.69 58.74 3k1q s THR 173 Cb 0.00 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.40 3k1q s THR 173 CO 0.00 -0.09 0.06 -0.54 -0.54 0.00 0.00 174.62 173.52 3k1q s LYS 174 N -2.72 2.89 0.34 3.99 1.02 0.12 -4.90 119.74 120.48 3k1q s LYS 174 Ca 0.23 -0.98 -0.27 0.00 0.02 0.00 0.00 55.97 54.97 3k1q s LYS 174 Cb -0.09 -3.33 -0.09 0.00 -0.52 0.00 0.00 37.83 33.80 3k1q s LYS 174 CO 0.14 -0.51 1.09 -2.14 -0.92 0.00 0.00 175.35 173.01 3k1q s PRO 175 N 1.44 4.40 -0.50 -1.68 0.02 -1.26 -2.06 135.00 135.36 3k1q s PRO 175 Ca 0.01 1.71 -0.22 0.00 0.02 0.00 0.00 61.00 62.52 3k1q s PRO 175 Cb -0.18 -2.91 0.04 0.00 0.02 0.00 0.00 34.50 31.48 3k1q s PRO 175 CO 0.01 0.02 0.76 -1.17 -0.33 0.00 0.00 177.00 176.30 3k1q s LEU 176 N -1.98 4.48 -0.53 -5.54 2.96 -1.26 -2.52 118.68 114.29 3k1q s LEU 176 Ca 0.51 -0.51 -0.26 0.00 -0.22 0.00 0.00 54.13 53.65 3k1q s LEU 176 Cb -0.29 -2.70 -0.07 0.00 0.50 0.00 0.00 46.19 43.63 3k1q s LEU 176 CO 0.36 -1.00 2.38 -0.62 -1.32 0.00 0.00 176.35 176.15 3k1q s ASP 177 N 2.56 4.43 -0.07 3.68 2.15 0.38 -4.37 116.67 125.44 3k1q s ASP 177 Ca 0.24 0.94 -0.03 0.00 0.43 0.00 0.00 52.55 54.13 3k1q s ASP 177 Cb -0.15 -2.51 0.04 0.00 -0.30 0.00 0.00 42.92 40.00 3k1q s ASP 177 CO 0.17 -2.94 0.15 1.51 -0.17 0.00 0.00 175.17 173.89 3k1q s ASP 178 N 11.85 0.15 0.17 -0.34 -4.77 -1.26 -3.30 116.67 119.17 3k1q s ASP 178 Ca 0.95 0.31 -0.18 0.00 -3.30 0.00 0.00 52.55 50.33 3k1q s ASP 178 Cb -0.16 0.21 0.09 0.00 -1.09 0.00 0.00 42.92 41.97 3k1q s ASP 178 CO 0.24 -0.18 1.66 0.71 0.70 0.00 0.00 175.17 178.30 3k1q h THR 179 N 6.16 0.56 -1.92 2.11 1.35 -1.53 -3.41 112.91 116.23 3k1q h THR 179 Ca -0.34 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 64.88 3k1q h THR 179 Cb 1.13 0.56 0.05 0.00 -1.73 0.00 0.00 68.15 68.17 3k1q h THR 179 CO 0.34 0.00 0.63 1.57 -0.25 0.00 0.00 175.52 177.81 3k1q n HIS 180 N -5.32 1.86 -1.47 4.73 -0.00 -0.65 -4.73 115.22 109.64 3k1q n HIS 180 Ca 0.02 0.47 -0.45 0.00 -0.00 0.00 0.00 57.72 57.76 3k1q n HIS 180 Cb 0.23 -2.43 -0.09 0.00 -0.00 0.00 0.00 29.99 27.70 3k1q n HIS 180 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3k1q n PRO 181 N 3.10 0.66 -2.84 1.57 -0.04 -1.26 -2.91 135.00 133.28 3k1q n PRO 181 Ca 0.18 0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.61 3k1q n PRO 181 Cb 0.23 -2.34 -0.01 0.00 -0.04 0.00 0.00 33.50 31.34 3k1q n PRO 181 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3k1q n HIS 182 N 11.35 -1.66 0.42 0.54 8.25 -1.24 -4.62 115.22 128.26 3k1q n HIS 182 Ca 0.49 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 3k1q n HIS 182 Cb 0.23 -2.39 0.00 0.00 1.12 0.00 0.00 29.99 28.95 3k1q n HIS 182 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3k1q n ASP 183 N -1.92 2.69 -4.54 0.41 5.68 -1.15 -4.57 116.55 113.15 3k1q n ASP 183 Ca -0.06 -1.63 -0.13 0.00 -0.50 0.00 0.00 54.79 52.47 3k1q n ASP 183 Cb 0.56 -0.50 -0.10 0.00 -1.14 0.00 0.00 41.12 39.94 3k1q n ASP 183 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k1q n LYS 184 N 0.92 0.23 -3.07 0.11 4.01 -1.26 -4.82 118.16 114.28 3k1q n LYS 184 Ca 0.00 -1.31 -0.45 0.00 -0.51 0.00 0.00 58.31 56.04 3k1q n LYS 184 Cb 0.37 -3.66 -0.03 0.00 -0.51 0.00 0.00 35.03 31.20 3k1q n LYS 184 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3k1q s VAL 185 N 15.40 5.00 -1.18 -0.18 -7.23 -1.26 -0.65 120.40 130.31 3k1q s VAL 185 Ca 0.83 -1.74 -0.22 0.00 -1.81 0.00 0.00 61.98 59.04 3k1q s VAL 185 Cb -0.09 -4.64 -0.03 0.00 0.56 0.00 0.00 36.38 32.17 3k1q s VAL 185 CO 0.16 -1.31 1.85 -0.76 -0.31 0.00 0.00 175.10 174.73 3k1q s LEU 186 N 1.94 3.31 -0.08 1.32 1.02 -0.48 -4.56 118.68 121.15 3k1q s LEU 186 Ca 0.25 -1.76 -0.36 0.00 0.02 0.00 0.00 54.13 52.28 3k1q s LEU 186 Cb -0.09 -2.58 -0.14 0.00 0.02 0.00 0.00 46.19 43.40 3k1q s LEU 186 CO -0.07 -2.43 1.73 0.41 0.02 0.00 0.00 176.35 176.02 3k1q n THR 187 N 7.37 0.34 -0.83 5.49 -1.04 -0.87 -2.37 114.28 122.36 3k1q n THR 187 Ca 0.45 -0.06 -0.31 0.00 -2.04 0.00 0.00 64.05 62.09 3k1q n THR 187 Cb 0.47 -1.51 0.16 0.00 -1.82 0.00 0.00 70.33 67.63 3k1q n THR 187 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3k1q s ARG 188 N 2.99 1.05 0.43 -2.82 0.52 -0.49 -0.70 118.95 119.93 3k1q s ARG 188 Ca 0.91 1.32 -0.26 0.00 -0.52 0.00 0.00 55.73 57.19 3k1q s ARG 188 Cb -0.83 -1.75 -0.09 0.00 0.52 0.00 0.00 34.95 32.81 3k1q s ARG 188 CO 0.53 -2.54 1.38 0.00 0.02 0.00 0.00 175.30 174.69 3k1q h PRO 190 N 2.51 0.55 0.00 0.00 0.11 -1.69 -1.68 132.00 131.79 3k1q h PRO 190 Ca -0.50 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 3k1q h PRO 190 Cb 1.26 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3k1q h PRO 190 CO 0.62 0.36 -0.19 0.87 -0.21 0.00 0.00 178.00 179.45 3k1q h LYS 191 N 0.57 0.00 -0.05 1.05 1.79 -1.65 -1.86 116.57 116.41 3k1q h LYS 191 Ca 0.53 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 59.01 3k1q h LYS 191 Cb 0.88 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 3k1q h LYS 191 CO -0.43 0.19 0.34 1.15 -1.08 0.00 0.00 179.45 179.62 3k1q h THR 192 N 0.00 0.05 0.00 -0.16 2.02 -1.60 -3.46 112.91 109.77 3k1q h THR 192 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3k1q h THR 192 Cb 0.36 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3k1q h THR 192 CO 0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.52 3k1q n GLY 193 N -1.25 1.40 3.26 2.16 0.00 -0.70 -4.77 105.19 105.29 3k1q n GLY 193 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3k1q n GLY 193 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1q s LEU 194 N 0.00 4.74 -0.73 0.99 2.96 -1.26 -4.90 118.68 120.48 3k1q s LEU 194 Ca 0.00 -1.35 -0.17 0.00 -0.22 0.00 0.00 54.13 52.39 3k1q s LEU 194 Cb 0.00 -1.92 0.15 0.00 0.50 0.00 0.00 46.19 44.92 3k1q s LEU 194 CO 0.00 -0.43 0.78 -0.76 -1.32 0.00 0.00 176.35 174.62 3k1q s LEU 195 N 1.39 5.85 0.45 -0.68 1.02 -1.26 -4.91 118.68 120.54 3k1q s LEU 195 Ca 0.01 -2.00 0.03 0.00 0.02 0.00 0.00 54.13 52.19 3k1q s LEU 195 Cb -0.21 -2.28 0.01 0.00 0.02 0.00 0.00 46.19 43.72 3k1q s LEU 195 CO 0.02 -0.90 0.64 -0.76 0.02 0.00 0.00 176.35 175.37 3k1q s LEU 196 N 1.76 3.63 -0.10 1.79 1.43 -1.26 0.11 118.68 126.03 3k1q s LEU 196 Ca 0.17 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 3k1q s LEU 196 Cb -0.17 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 3k1q s LEU 196 CO -0.02 -0.76 -0.20 0.54 0.23 0.00 0.00 176.35 176.14 3k1q s VAL 197 N -2.50 2.41 -0.39 -1.59 0.11 -1.26 -1.39 120.40 115.79 3k1q s VAL 197 Ca 0.50 -0.90 0.04 0.00 -2.93 0.00 0.00 61.98 58.69 3k1q s VAL 197 Cb -0.10 -1.95 0.11 0.00 -1.53 0.00 0.00 36.38 32.91 3k1q s VAL 197 CO 0.36 0.55 0.12 -1.38 -3.33 0.00 0.00 175.10 171.42 3k1q s HIS 198 N 0.22 3.37 -0.34 1.54 -3.43 -1.00 -4.66 115.29 110.99 3k1q s HIS 198 Ca -0.13 -2.93 -0.28 0.00 -0.80 0.00 0.00 55.06 50.92 3k1q s HIS 198 Cb -0.16 -2.76 -0.03 0.00 -1.43 0.00 0.00 32.58 28.19 3k1q s HIS 198 CO 0.07 -0.88 1.99 0.34 -2.00 0.00 0.00 174.74 174.26 3k1q s ASP 199 N 0.61 5.56 -1.19 7.38 -1.08 -1.25 -1.38 116.67 125.33 3k1q s ASP 199 Ca 0.13 1.36 -0.22 0.00 -0.52 0.00 0.00 52.55 53.30 3k1q s ASP 199 Cb -0.21 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 38.70 3k1q s ASP 199 CO -0.07 -1.97 1.86 0.42 0.52 0.00 0.00 175.17 175.93 3k1q s THR 200 N 8.05 3.72 0.60 1.71 -4.23 0.17 -4.86 115.64 120.80 3k1q s THR 200 Ca 0.86 -1.15 0.30 0.00 -1.18 0.00 0.00 61.69 60.52 3k1q s THR 200 Cb -0.24 -4.73 0.43 0.00 1.34 0.00 0.00 72.50 69.30 3k1q s THR 200 CO 0.32 -1.33 1.50 0.45 -0.54 0.00 0.00 174.62 175.02 3k1q h HIS 201 N 9.25 0.00 -2.63 3.99 3.86 -1.85 -3.33 115.15 124.43 3k1q h HIS 201 Ca 0.27 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.19 3k1q h HIS 201 Cb 0.93 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.05 3k1q h HIS 201 CO 1.28 0.00 -0.60 0.00 0.86 0.00 0.00 177.93 179.46 3k1q s ALA 202 N -4.54 -0.34 -0.70 2.45 0.00 -1.24 -1.38 121.76 116.00 3k1q s ALA 202 Ca -0.03 0.44 -0.13 0.00 0.00 0.00 0.00 51.96 52.24 3k1q s ALA 202 Cb 0.16 -1.22 0.18 0.00 0.00 0.00 0.00 23.12 22.25 3k1q s ALA 202 CO 0.54 -1.03 0.64 -1.58 0.00 0.00 0.00 175.76 174.33 3k1q s HIS 203 N 2.35 3.56 0.13 0.00 2.46 0.08 -4.53 115.29 119.34 3k1q s HIS 203 Ca 0.06 -1.83 0.00 0.00 0.47 0.00 0.00 55.06 53.76 3k1q s HIS 203 Cb -0.15 -3.75 0.00 0.00 -0.13 0.00 0.00 32.58 28.56 3k1q s HIS 203 CO -0.11 -0.99 0.00 0.00 -2.47 0.00 0.00 174.74 171.17 3k1q n ALA 204 N 4.38 0.00 -1.51 1.58 0.00 -1.26 -1.38 120.51 122.32 3k1q n ALA 204 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3k1q n ALA 204 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3k1q n ALA 204 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k1q n THR 205 N -2.68 0.00 0.44 0.00 -2.24 -1.26 -4.51 114.28 104.02 3k1q n THR 205 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3k1q n THR 205 Cb 0.00 -1.65 0.42 0.00 -2.10 0.00 0.00 70.33 67.01 3k1q n THR 205 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q h ALA 206 N -1.42 1.00 0.00 6.98 0.00 -1.85 -3.47 119.26 120.51 3k1q h ALA 206 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k1q h ALA 206 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k1q h ALA 206 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.58 3k1q n VAL 207 N -2.54 0.00 0.09 0.00 0.24 -1.13 -3.72 118.33 111.27 3k1q n VAL 207 Ca 0.04 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.45 3k1q n VAL 207 Cb 0.38 0.00 0.60 0.00 -1.47 0.00 0.00 33.84 33.35 3k1q n VAL 207 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3k1q h VAL 208 N 0.00 0.92 -0.72 3.34 3.04 -1.82 -3.22 116.25 117.79 3k1q h VAL 208 Ca 0.00 -0.05 0.14 0.00 -1.01 0.00 0.00 66.70 65.77 3k1q h VAL 208 Cb 0.00 0.76 -0.09 0.00 -2.01 0.00 0.00 31.29 29.94 3k1q h VAL 208 CO 0.00 0.03 0.27 0.00 -1.01 0.00 0.00 177.57 176.86 3k1q h ALA 209 N 1.84 0.99 0.16 3.17 0.00 -1.64 0.52 119.26 124.31 3k1q h ALA 209 Ca 0.14 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3k1q h ALA 209 Cb 0.37 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3k1q h ALA 209 CO -0.02 -0.23 -0.08 1.15 0.00 0.00 0.00 179.25 180.08 3k1q h THR 210 N 0.41 0.90 -0.82 0.00 2.02 -1.01 -2.85 112.91 111.57 3k1q h THR 210 Ca 0.39 -1.08 0.20 0.00 0.77 0.00 0.00 66.41 66.69 3k1q h THR 210 Cb 0.59 1.49 -0.14 0.00 -1.74 0.00 0.00 68.15 68.35 3k1q h THR 210 CO -0.40 0.22 0.12 0.00 0.37 0.00 0.00 175.52 175.83 3k1q h ALA 211 N -0.20 1.02 0.49 6.16 0.00 -1.54 0.27 119.26 125.47 3k1q h ALA 211 Ca -0.02 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3k1q h ALA 211 Cb 0.53 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3k1q h ALA 211 CO 0.04 -0.44 -0.24 0.00 0.00 0.00 0.00 179.25 178.61 3k1q h ALA 212 N 1.74 -0.66 -0.72 0.00 0.00 -0.05 -3.20 119.26 116.36 3k1q h ALA 212 Ca 0.48 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.38 3k1q h ALA 212 Cb 0.90 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3k1q h ALA 212 CO -0.66 -0.65 0.49 1.79 0.00 0.00 0.00 179.25 180.22 3k1q h THR 213 N -1.09 0.75 -0.98 0.00 1.35 -1.18 -1.56 112.91 110.19 3k1q h THR 213 Ca -0.07 -0.10 0.27 0.00 -0.55 0.00 0.00 66.41 65.96 3k1q h THR 213 Cb 0.57 0.45 -0.06 0.00 -1.73 0.00 0.00 68.15 67.38 3k1q h THR 213 CO 0.11 0.05 0.68 -0.09 -0.25 0.00 0.00 175.52 176.02 3k1q h ARG 214 N 0.28 0.15 0.00 4.72 2.43 -0.95 -2.30 114.38 118.71 3k1q h ARG 214 Ca 0.35 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 3k1q h ARG 214 Cb 0.99 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3k1q h ARG 214 CO -0.09 0.10 0.00 0.00 -1.51 0.00 0.00 179.97 178.48 3k1q h ALA 215 N 1.55 1.00 0.00 2.80 0.00 -1.34 0.24 119.26 123.51 3k1q h ALA 215 Ca 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 3k1q h ALA 215 Cb 1.67 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 3k1q h ALA 215 CO -0.10 0.00 -0.09 -0.84 0.00 0.00 0.00 179.25 178.22 3k1q h ILE 216 N 0.00 0.33 0.06 0.00 -0.00 -1.56 -1.93 117.51 114.41 3k1q h ILE 216 Ca 0.00 -0.59 0.02 0.00 -0.00 0.00 0.00 64.86 64.30 3k1q h ILE 216 Cb 0.26 1.44 -0.03 0.00 -0.00 0.00 0.00 36.82 38.49 3k1q h ILE 216 CO 0.00 0.09 -0.22 0.25 -0.00 0.00 0.00 178.15 178.28 3k1q h LEU 217 N 0.00 -0.62 -0.54 0.16 6.46 -0.68 -0.83 115.31 119.26 3k1q h LEU 217 Ca -0.00 0.08 0.10 0.00 -0.12 0.00 0.00 57.88 57.94 3k1q h LEU 217 Cb 0.43 0.25 -0.09 0.00 -0.73 0.00 0.00 40.66 40.52 3k1q h LEU 217 CO 0.01 -0.29 0.04 0.24 -0.62 0.00 0.00 178.44 177.82 3k1q h MET 218 N -0.38 0.16 0.00 1.25 2.86 -1.53 -1.54 114.93 115.75 3k1q h MET 218 Ca 0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3k1q h MET 218 Cb 0.43 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3k1q h MET 218 CO -0.16 0.10 0.00 0.72 1.06 0.00 0.00 176.91 178.63 3k1q n HIS 219 N -5.20 0.00 -0.33 -0.22 8.25 -0.91 -2.83 115.22 113.97 3k1q n HIS 219 Ca 0.07 0.00 0.35 0.00 -0.26 0.00 0.00 57.72 57.87 3k1q n HIS 219 Cb 0.29 -0.35 0.73 0.00 1.12 0.00 0.00 29.99 31.79 3k1q n HIS 219 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3k1q h ASP 220 N 0.00 0.05 0.10 0.41 3.32 -0.58 -1.14 116.42 118.59 3k1q h ASP 220 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3k1q h ASP 220 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3k1q h ASP 220 CO 0.00 0.00 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.40 3k1q h LEU 221 N 0.04 -0.12 0.00 1.55 3.38 -1.14 -1.85 115.31 117.17 3k1q h LEU 221 Ca 0.58 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3k1q h LEU 221 Cb 2.24 0.03 0.00 0.00 0.09 0.00 0.00 40.66 43.02 3k1q h LEU 221 CO -0.04 0.48 -0.39 0.18 0.09 0.00 0.00 178.44 178.76 3k1q n LEU 222 N -4.86 0.42 -0.03 1.67 4.77 -0.92 -1.12 117.00 116.92 3k1q n LEU 222 Ca -0.08 0.16 -0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3k1q n LEU 222 Cb 0.28 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3k1q n LEU 222 CO 0.28 0.07 0.01 0.74 -1.33 0.00 0.00 177.39 177.15 3k1q h THR 223 N 0.00 0.00 -1.72 -5.08 2.02 -1.38 -3.44 112.91 103.32 3k1q h THR 223 Ca 0.00 -0.78 -0.66 0.00 0.77 0.00 0.00 66.41 65.73 3k1q h THR 223 Cb 0.54 0.00 -0.36 0.00 -1.74 0.00 0.00 68.15 66.59 3k1q h THR 223 CO 0.00 0.00 -0.01 -0.24 0.37 0.00 0.00 175.52 175.64 3k1q n SER 224 N -4.22 5.85 0.00 4.18 2.88 -0.70 -4.97 113.62 116.64 3k1q n SER 224 Ca -0.00 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.77 3k1q n SER 224 Cb 0.01 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 3k1q n SER 224 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k1q n ALA 225 N -0.50 0.00 -3.25 -1.46 0.00 -0.27 -4.67 120.51 110.35 3k1q n ALA 225 Ca 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.76 3k1q n ALA 225 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 3k1q n ALA 225 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3k1q s ASN 226 N 0.00 -0.33 -0.65 0.00 0.01 -1.18 -4.70 114.94 108.08 3k1q s ASN 226 Ca 0.00 0.55 -0.26 0.00 -0.71 0.00 0.00 52.86 52.44 3k1q s ASN 226 Cb 0.00 0.62 -0.04 0.00 0.41 0.00 0.00 41.25 42.24 3k1q s ASN 226 CO 0.00 -0.22 1.97 0.00 -1.51 0.00 0.00 177.10 177.34 3k1q s ALA 227 N -0.25 1.95 -0.45 0.60 0.00 -1.25 -4.61 121.76 117.75 3k1q s ALA 227 Ca -0.04 -0.72 -0.28 0.00 0.00 0.00 0.00 51.96 50.92 3k1q s ALA 227 Cb -0.03 -4.37 -0.00 0.00 0.00 0.00 0.00 23.12 18.72 3k1q s ALA 227 CO 0.02 -4.22 1.60 0.34 0.00 0.00 0.00 175.76 173.50 3k1q s ASP 228 N 8.76 5.98 0.00 0.00 2.15 -1.26 -4.50 116.67 127.80 3k1q s ASP 228 Ca 0.73 0.79 0.00 0.00 0.43 0.00 0.00 52.55 54.49 3k1q s ASP 228 Cb -0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 3k1q s ASP 228 CO 0.17 -1.73 0.00 0.47 -0.17 0.00 0.00 175.17 173.91 3k1q n ASP 229 N 10.06 0.00 0.00 -0.34 9.92 -1.26 -4.90 116.55 130.02 3k1q n ASP 229 Ca 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 3k1q n ASP 229 Cb 0.48 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 3k1q n ASP 229 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k1q n GLY 230 N 0.00 0.45 0.41 0.44 0.00 -1.26 -1.03 105.19 104.20 3k1q n GLY 230 Ca 0.00 0.73 0.21 0.00 0.00 0.00 0.00 46.02 46.96 3k1q n GLY 230 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3k1q h HIS 231 N 0.00 0.34 -1.02 1.61 -0.00 -1.93 0.40 115.15 114.54 3k1q h HIS 231 Ca 0.00 0.01 0.25 0.00 -0.00 0.00 0.00 60.37 60.63 3k1q h HIS 231 Cb 0.00 -0.10 -0.10 0.00 -0.00 0.00 0.00 27.41 27.21 3k1q h HIS 231 CO 0.00 0.09 0.65 0.37 -0.00 0.00 0.00 177.93 179.04 3k1q h GLN 232 N 0.26 0.45 0.07 5.26 -0.00 -1.49 0.33 115.11 119.98 3k1q h GLN 232 Ca 0.42 -0.03 -0.26 0.00 -0.00 0.00 0.00 58.65 58.79 3k1q h GLN 232 Cb 1.25 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 28.61 3k1q h GLN 232 CO -0.11 0.30 -1.37 0.00 0.00 0.00 0.00 178.83 177.65 3k1q h ALA 233 N 1.64 0.24 -0.49 3.38 0.00 -1.66 -3.41 119.26 118.96 3k1q h ALA 233 Ca 0.59 -1.15 0.14 0.00 0.00 0.00 0.00 54.91 54.50 3k1q h ALA 233 Cb 1.38 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 3k1q h ALA 233 CO -0.32 0.81 0.36 0.00 0.00 0.00 0.00 179.25 180.11 3k1q h ARG 234 N -0.53 0.00 0.95 0.00 3.08 0.32 -2.27 114.38 115.93 3k1q h ARG 234 Ca -0.32 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.68 3k1q h ARG 234 Cb 1.60 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.66 3k1q h ARG 234 CO -0.04 0.00 -0.46 0.66 -1.07 0.00 0.00 179.97 179.07 3k1q h SER 235 N 0.00 -1.08 0.49 7.04 4.64 -0.60 -1.66 113.55 122.38 3k1q h SER 235 Ca 0.23 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 3k1q h SER 235 Cb 0.96 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3k1q h SER 235 CO -0.00 -0.75 -0.23 0.00 -0.87 0.00 0.00 176.83 174.97 3k1q h ALA 236 N -1.27 -0.65 -0.90 5.18 0.00 -1.80 -3.38 119.26 116.44 3k1q h ALA 236 Ca -0.13 -0.16 0.34 0.00 0.00 0.00 0.00 54.91 54.96 3k1q h ALA 236 Cb 0.98 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 18.86 3k1q h ALA 236 CO 0.21 -0.84 0.34 0.00 0.00 0.00 0.00 179.25 178.96 3k1q s TYR 238 N -5.52 2.90 -0.00 0.00 1.51 -0.63 -5.07 117.35 110.53 3k1q s TYR 238 Ca -0.09 -1.10 -0.01 0.00 -1.01 0.00 0.00 57.07 54.85 3k1q s TYR 238 Cb 0.29 -2.03 -0.01 0.00 -0.11 0.00 0.00 41.96 40.10 3k1q s TYR 238 CO 0.70 -0.59 0.04 0.41 -1.11 0.00 0.00 175.55 175.00 3k1q n GLY 239 N 4.64 -0.01 3.68 0.71 0.00 -1.26 -2.36 105.19 110.58 3k1q n GLY 239 Ca -0.19 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3k1q n GLY 239 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k1q s PRO 240 N 0.02 4.20 -0.41 1.61 0.04 -1.26 -1.98 135.00 137.22 3k1q s PRO 240 Ca 0.03 2.25 -0.28 0.00 0.04 0.00 0.00 61.00 63.04 3k1q s PRO 240 Cb -0.05 -3.76 -0.00 0.00 0.04 0.00 0.00 34.50 30.73 3k1q s PRO 240 CO 0.02 -0.77 1.60 0.00 0.04 0.00 0.00 177.00 177.90 3k1q s ALA 241 N 3.20 2.89 -0.08 8.56 0.00 -1.21 -2.86 121.76 132.27 3k1q s ALA 241 Ca 0.73 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.66 3k1q s ALA 241 Cb -0.37 -4.01 0.01 0.00 0.00 0.00 0.00 23.12 18.75 3k1q s ALA 241 CO 0.31 -2.65 -0.16 0.12 0.00 0.00 0.00 175.76 173.38 3k1q s PHE 242 N 6.35 1.82 0.64 0.00 5.36 -1.26 -5.04 117.98 125.85 3k1q s PHE 242 Ca 0.69 -0.70 0.00 0.00 -0.96 0.00 0.00 56.93 55.95 3k1q s PHE 242 Cb -0.17 -1.28 0.00 0.00 -0.34 0.00 0.00 43.02 41.23 3k1q s PHE 242 CO 0.32 -0.32 0.00 0.27 -1.46 0.00 0.00 175.22 174.02 3k1q n ASN 243 N 3.70 -8.06 0.00 6.13 6.94 -1.26 -4.56 115.26 118.16 3k1q n ASN 243 Ca -0.22 1.50 0.00 0.00 -0.02 0.00 0.00 54.58 55.84 3k1q n ASN 243 Cb 0.52 -5.10 0.00 0.00 -2.36 0.00 0.00 39.78 32.84 3k1q n ASN 243 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3k1q n ASN 244 N -4.40 0.00 -3.80 0.53 6.94 -1.26 -4.85 115.26 108.41 3k1q n ASN 244 Ca -0.10 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.19 3k1q n ASN 244 Cb 0.70 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 38.17 3k1q n ASN 244 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3k1q n LEU 245 N -2.03 -2.86 -3.76 -4.53 4.32 -1.26 -5.04 117.00 101.85 3k1q n LEU 245 Ca 0.00 -0.71 -0.26 0.00 -0.02 0.00 0.00 56.01 55.01 3k1q n LEU 245 Cb 0.00 -2.71 -0.17 0.00 -1.62 0.00 0.00 43.42 38.92 3k1q n LEU 245 CO 0.00 0.52 -0.37 -0.89 -1.22 0.00 0.00 177.39 175.42 3k1q s THR 246 N -3.34 0.52 0.00 -5.08 2.01 -1.23 -4.94 115.64 103.58 3k1q s THR 246 Ca 0.58 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.21 3k1q s THR 246 Cb -0.28 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.33 3k1q s THR 246 CO 0.80 -0.05 0.00 0.49 -0.69 0.00 0.00 174.62 175.17 3k1q n PHE 247 N 5.07 0.00 -3.93 4.92 3.01 -1.13 -4.89 117.46 120.52 3k1q n PHE 247 Ca -0.09 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.27 3k1q n PHE 247 Cb 0.48 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.84 3k1q n PHE 247 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k1q s ALA 248 N 0.00 -0.04 0.00 4.37 0.00 -0.48 -3.70 121.76 121.90 3k1q s ALA 248 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3k1q s ALA 248 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3k1q s ALA 248 CO 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 175.76 175.62 3k1q n HIS 250 N -0.17 0.00 0.00 0.00 -0.00 -1.26 -0.74 115.22 113.04 3k1q n HIS 250 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3k1q n HIS 250 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3k1q n HIS 250 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 3k1q n SER 251 N 0.00 0.00 0.00 0.26 7.64 -0.48 -4.76 113.62 116.28 3k1q n SER 251 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3k1q n SER 251 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3k1q n SER 251 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3k1q n THR 252 N 0.00 0.00 0.15 0.44 -2.24 -1.26 -2.17 114.28 109.20 3k1q n THR 252 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3k1q n THR 252 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 3k1q n THR 252 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q h ALA 254 N 0.23 1.41 0.00 0.00 0.00 -1.67 -0.63 119.26 118.60 3k1q h ALA 254 Ca -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3k1q h ALA 254 Cb 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3k1q h ALA 254 CO 0.06 0.10 -0.11 0.77 0.00 0.00 0.00 179.25 180.06 3k1q h SER 255 N 0.00 0.00 0.00 0.00 0.02 -1.00 -2.53 113.55 110.04 3k1q h SER 255 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k1q h SER 255 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3k1q h SER 255 CO 0.01 0.11 0.00 0.47 -1.14 0.00 0.00 176.83 176.28 3k1q n ASP 256 N -4.04 0.00 0.00 3.07 9.92 -0.74 -4.41 116.55 120.35 3k1q n ASP 256 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 3k1q n ASP 256 Cb 0.20 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 3k1q n ASP 256 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 3k1q n MET 257 N -2.41 0.00 -0.07 -1.24 1.56 -0.32 -2.14 117.12 112.50 3k1q n MET 257 Ca 0.00 0.71 0.03 0.00 -0.27 0.00 0.00 57.70 58.17 3k1q n MET 257 Cb 0.00 -1.38 0.37 0.00 2.15 0.00 0.00 33.22 34.37 3k1q n MET 257 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3k1q h ALA 258 N -1.50 1.65 0.77 -5.12 0.00 -1.66 0.31 119.26 113.70 3k1q h ALA 258 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3k1q h ALA 258 Cb 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3k1q h ALA 258 CO 0.00 0.32 -0.37 1.25 0.00 0.00 0.00 179.25 180.44 3k1q h HIS 259 N 0.69 -0.96 -0.08 0.00 6.17 -1.42 -2.69 115.15 116.86 3k1q h HIS 259 Ca 0.20 -0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.18 3k1q h HIS 259 Cb -0.04 0.32 0.00 0.00 2.52 0.00 0.00 27.41 30.21 3k1q h HIS 259 CO -0.00 -0.58 -0.24 0.74 0.71 0.00 0.00 177.93 178.56 3k1q h PHE 260 N -1.23 0.39 0.00 5.26 -1.00 -1.27 -3.33 116.94 115.77 3k1q h PHE 260 Ca -0.11 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.52 3k1q h PHE 260 Cb 0.81 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.30 3k1q h PHE 260 CO -0.00 0.86 0.00 -0.25 -1.61 0.00 0.00 178.31 177.30 3k1q n ASP 261 N -4.50 0.00 -0.24 2.17 8.00 0.11 -1.10 116.55 120.99 3k1q n ASP 261 Ca -0.08 -0.98 -0.07 0.00 0.71 0.00 0.00 54.79 54.37 3k1q n ASP 261 Cb 0.45 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.58 3k1q n ASP 261 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1q n GLY 263 N -0.71 0.05 4.07 0.00 0.00 -0.71 -0.57 105.19 107.32 3k1q n GLY 263 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3k1q n GLY 263 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3k1q n GLN 264 N -1.64 0.00 0.00 1.61 7.27 -0.26 -2.29 117.38 122.08 3k1q n GLN 264 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3k1q n GLN 264 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3k1q n GLN 264 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3k1q n ILE 265 N 0.00 0.00 -0.05 1.69 5.41 -1.22 -4.70 119.36 120.49 3k1q n ILE 265 Ca 0.00 0.05 0.07 0.00 1.00 0.00 0.00 62.75 63.87 3k1q n ILE 265 Cb 0.00 -0.33 0.44 0.00 -0.71 0.00 0.00 39.64 39.04 3k1q n ILE 265 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3k1q h VAL 266 N 0.00 1.03 0.00 1.39 2.07 -1.45 -3.45 116.25 115.84 3k1q h VAL 266 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3k1q h VAL 266 Cb 0.00 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3k1q h VAL 266 CO 0.00 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.30 3k1q n GLY 267 N -1.48 1.18 3.52 2.17 0.00 -0.97 -4.85 105.19 104.75 3k1q n GLY 267 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3k1q n GLY 267 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1q s LEU 268 N 0.00 2.90 -0.05 0.99 1.43 -1.26 -0.05 118.68 122.63 3k1q s LEU 268 Ca 0.00 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3k1q s LEU 268 Cb 0.00 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.61 3k1q s LEU 268 CO 0.00 0.32 0.00 -0.62 0.23 0.00 0.00 176.35 176.29 3k1q s ASP 269 N -0.98 1.12 0.10 2.29 -1.08 0.26 -5.02 116.67 113.35 3k1q s ASP 269 Ca 0.13 -0.06 0.08 0.00 -0.52 0.00 0.00 52.55 52.19 3k1q s ASP 269 Cb -0.11 -0.35 -0.03 0.00 -1.46 0.00 0.00 42.92 40.97 3k1q s ASP 269 CO 0.03 -0.15 -0.21 -0.76 0.52 0.00 0.00 175.17 174.59 3k1q s LEU 270 N 1.57 2.30 -0.06 -1.34 1.02 -1.17 -0.71 118.68 120.29 3k1q s LEU 270 Ca -0.02 -0.69 0.02 0.00 0.02 0.00 0.00 54.13 53.47 3k1q s LEU 270 Cb -0.13 -0.91 0.01 0.00 0.02 0.00 0.00 46.19 45.19 3k1q s LEU 270 CO -0.03 0.07 -0.12 -2.28 0.02 0.00 0.00 176.35 174.01 3k1q s HIS 271 N -1.15 1.40 -0.57 0.29 2.46 -0.07 -4.81 115.29 112.85 3k1q s HIS 271 Ca 0.07 -0.51 0.06 0.00 0.47 0.00 0.00 55.06 55.15 3k1q s HIS 271 Cb -0.10 -1.04 -0.01 0.00 -0.13 0.00 0.00 32.58 31.31 3k1q s HIS 271 CO 0.04 -0.27 0.48 1.33 -2.47 0.00 0.00 174.74 173.86 3k1q n VAL 272 N 3.84 0.00 -3.22 0.89 0.24 -0.97 0.20 118.33 119.31 3k1q n VAL 272 Ca -0.23 -0.43 -0.39 0.00 -2.04 0.00 0.00 64.34 61.25 3k1q n VAL 272 Cb 0.52 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 33.90 3k1q n VAL 272 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3k1q s GLU 273 N -1.07 4.29 -0.56 7.34 8.01 -1.20 0.76 118.70 136.27 3k1q s GLU 273 Ca 0.05 0.73 -0.30 0.00 0.01 0.00 0.00 54.97 55.46 3k1q s GLU 273 Cb 0.05 -3.32 -0.12 0.00 -4.31 0.00 0.00 34.13 26.43 3k1q s GLU 273 CO 0.17 0.42 2.41 -0.35 0.01 0.00 0.00 175.26 177.91 3k1q n PRO 274 N 2.55 0.86 0.00 0.39 -0.04 -1.26 -3.84 135.00 133.66 3k1q n PRO 274 Ca -0.07 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3k1q n PRO 274 Cb 0.51 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 3k1q n PRO 274 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3k1q n SER 275 N 12.69 0.00 0.00 3.54 3.41 -1.26 -5.00 113.62 127.01 3k1q n SER 275 Ca 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 3k1q n SER 275 Cb 0.33 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3k1q n SER 275 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35