#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 4.44 0.26 0.03 0.04 -1.26 -4.27 135.00 134.24 3k1q s PRO 2 Ca 0.00 0.99 -0.31 0.00 0.04 0.00 0.00 61.00 61.73 3k1q s PRO 2 Cb 0.00 -3.47 -0.13 0.00 0.04 0.00 0.00 34.50 30.95 3k1q s PRO 2 CO 0.00 -0.01 1.49 -0.11 0.04 0.00 0.00 177.00 178.41 3k1q n LEU 3 N 3.98 3.64 -4.13 -3.56 7.94 -1.26 -5.05 117.00 118.56 3k1q n LEU 3 Ca 0.01 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.94 3k1q n LEU 3 Cb 0.51 -1.50 -0.11 0.00 0.53 0.00 0.00 43.42 42.86 3k1q n LEU 3 CO 0.48 -0.22 -0.39 -1.00 -1.11 0.00 0.00 177.39 175.15 3k1q s HIS 4 N -0.05 0.81 -1.03 1.96 3.76 -1.26 -4.75 115.29 114.73 3k1q s HIS 4 Ca 0.66 -0.74 -0.15 0.00 -0.15 0.00 0.00 55.06 54.69 3k1q s HIS 4 Cb -0.58 -0.47 -0.01 0.00 1.11 0.00 0.00 32.58 32.63 3k1q s HIS 4 CO 0.49 -0.12 0.76 -1.33 -0.85 0.00 0.00 174.74 173.69 3k1q n MET 5 N 0.58 -1.29 0.27 1.40 2.81 -1.26 -4.72 117.12 114.92 3k1q n MET 5 Ca -0.17 0.66 -0.16 0.00 -1.81 0.00 0.00 57.70 56.22 3k1q n MET 5 Cb 0.58 -4.11 -0.08 0.00 -0.71 0.00 0.00 33.22 28.90 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 -1.29 0.30 -0.74 2.02 5.03 -2.00 -1.98 117.51 118.85 3k1q h ILE 6 Ca -0.56 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 64.39 3k1q h ILE 6 Cb 1.31 0.30 -0.03 0.00 -3.03 0.00 0.00 36.82 35.37 3k1q h ILE 6 CO 0.44 0.00 0.56 -0.65 -0.68 0.00 0.00 178.15 177.81 3k1q h PRO 7 N -0.79 0.00 0.02 2.37 0.11 -1.95 -1.38 132.00 130.38 3k1q h PRO 7 Ca -0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3k1q h PRO 7 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3k1q h PRO 7 CO 0.01 0.00 -0.01 1.96 -0.21 0.00 0.00 178.00 179.75 3k1q h GLN 8 N 0.00 -0.02 0.00 1.05 7.50 -1.75 -1.07 115.11 120.82 3k1q h GLN 8 Ca 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.50 3k1q h GLN 8 Cb 1.46 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 29.00 3k1q h GLN 8 CO -0.00 0.72 -0.03 0.28 -1.50 0.00 0.00 178.83 178.30 3k1q h VAL 9 N -0.94 0.91 -0.49 -0.54 2.07 -1.29 -0.51 116.25 115.45 3k1q h VAL 9 Ca -0.00 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3k1q h VAL 9 Cb 0.75 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3k1q h VAL 9 CO 0.00 0.03 0.26 0.00 0.02 0.00 0.00 177.57 177.88 3k1q h ALA 10 N 1.97 0.64 -0.56 1.67 0.00 -1.31 0.83 119.26 122.48 3k1q h ALA 10 Ca -0.00 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.92 3k1q h ALA 10 Cb 0.06 -0.20 -0.11 0.00 0.00 0.00 0.00 17.79 17.54 3k1q h ALA 10 CO 0.00 0.18 -0.23 0.45 0.00 0.00 0.00 179.25 179.65 3k1q h HIS 11 N 0.65 -0.59 -0.36 0.00 -0.00 -0.46 -0.71 115.15 113.69 3k1q h HIS 11 Ca 0.17 0.06 -0.04 0.00 -0.00 0.00 0.00 60.37 60.56 3k1q h HIS 11 Cb 0.08 0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 3k1q h HIS 11 CO -0.01 -0.32 0.07 0.00 -0.00 0.00 0.00 177.93 177.67 3k1q h ALA 12 N 1.29 0.48 -0.32 2.45 0.00 -0.96 0.07 119.26 122.27 3k1q h ALA 12 Ca 0.26 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3k1q h ALA 12 Cb 0.50 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 3k1q h ALA 12 CO -0.63 0.16 -0.41 1.98 0.00 0.00 0.00 179.25 180.36 3k1q h MET 13 N 0.43 -0.35 0.00 0.00 -1.53 0.14 -2.07 114.93 111.56 3k1q h MET 13 Ca 0.11 0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.37 3k1q h MET 13 Cb 0.33 0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.45 3k1q h MET 13 CO 0.00 -0.23 -0.14 -0.24 0.14 0.00 0.00 176.91 176.45 3k1q h VAL 14 N -0.36 0.90 -0.25 -5.77 3.04 -0.86 -1.93 116.25 111.03 3k1q h VAL 14 Ca 0.13 -0.51 -0.07 0.00 -1.01 0.00 0.00 66.70 65.24 3k1q h VAL 14 Cb 0.59 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.14 3k1q h VAL 14 CO -0.51 0.14 -0.14 -0.09 -1.01 0.00 0.00 177.57 175.95 3k1q h ARG 15 N 0.00 0.42 -0.57 4.17 9.65 -0.49 -0.47 114.38 127.09 3k1q h ARG 15 Ca -0.00 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.71 3k1q h ARG 15 Cb 0.28 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 3k1q h ARG 15 CO 0.02 0.56 0.14 0.00 2.80 0.00 0.00 179.97 183.49 3k1q h ALA 16 N 1.47 1.18 -0.31 2.80 0.00 -0.70 -2.43 119.26 121.27 3k1q h ALA 16 Ca 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3k1q h ALA 16 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3k1q h ALA 16 CO 0.03 0.56 0.13 0.00 0.00 0.00 0.00 179.25 179.98 3k1q h ALA 17 N 1.31 0.40 0.00 0.00 0.00 -1.37 -2.75 119.26 116.86 3k1q h ALA 17 Ca 0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3k1q h ALA 17 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3k1q h ALA 17 CO -0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 179.25 178.94 3k1q h ALA 18 N 0.98 1.33 -0.81 0.00 0.00 -0.97 -2.92 119.26 116.87 3k1q h ALA 18 Ca 0.11 -0.27 -0.51 0.00 0.00 0.00 0.00 54.91 54.24 3k1q h ALA 18 Cb 0.16 -0.05 -0.28 0.00 0.00 0.00 0.00 17.79 17.62 3k1q h ALA 18 CO -0.01 0.37 0.30 0.00 0.00 0.00 0.00 179.25 179.90 3k1q n ALA 19 N -2.40 5.49 0.00 0.00 0.00 -0.92 -4.93 120.51 117.74 3k1q n ALA 19 Ca -0.02 -3.34 0.00 0.00 0.00 0.00 0.00 53.44 50.08 3k1q n ALA 19 Cb 0.37 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.98 0.45 3.56 0.00 0.00 -1.06 -4.81 105.19 102.34 3k1q n GLY 20 Ca 0.52 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.26 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 2.41 -0.15 1.61 1.81 -1.07 -4.69 118.95 118.86 3k1q s ARG 21 Ca 0.00 0.12 0.00 0.00 -1.72 0.00 0.00 55.73 54.13 3k1q s ARG 21 Cb 0.00 -4.84 0.03 0.00 -0.45 0.00 0.00 34.95 29.69 3k1q s ARG 21 CO 0.00 -3.38 -0.10 -1.17 -0.68 0.00 0.00 175.30 169.97 3k1q s LEU 22 N 10.66 1.67 -1.04 2.53 2.96 -1.21 -4.61 118.68 129.64 3k1q s LEU 22 Ca 0.74 -0.57 -0.25 0.00 -0.22 0.00 0.00 54.13 53.84 3k1q s LEU 22 Cb -0.09 -1.04 -0.14 0.00 0.50 0.00 0.00 46.19 45.42 3k1q s LEU 22 CO 0.07 -0.12 2.08 0.42 -1.32 0.00 0.00 176.35 177.47 3k1q s THR 23 N 1.56 3.27 -1.31 3.68 -4.23 -1.26 -4.89 115.64 112.46 3k1q s THR 23 Ca 0.03 -0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 60.10 3k1q s THR 23 Cb -0.14 -4.03 0.13 0.00 1.34 0.00 0.00 72.50 69.81 3k1q s THR 23 CO -0.09 -0.51 2.30 -0.11 -0.54 0.00 0.00 174.62 175.67 3k1q n LEU 24 N 16.84 7.86 -4.38 4.79 7.94 -1.26 -3.06 117.00 145.73 3k1q n LEU 24 Ca 0.43 -4.88 -0.42 0.00 -1.11 0.00 0.00 56.01 50.02 3k1q n LEU 24 Cb 0.46 -1.37 -0.09 0.00 0.53 0.00 0.00 43.42 42.95 3k1q n LEU 24 CO 0.61 1.98 -0.07 -0.47 -1.11 0.00 0.00 177.39 178.34 3k1q s TYR 25 N -1.11 3.26 0.51 1.96 6.04 -1.19 -0.49 117.35 126.33 3k1q s TYR 25 Ca 0.52 -0.96 -0.05 0.00 0.04 0.00 0.00 57.07 56.62 3k1q s TYR 25 Cb 0.17 -2.80 -0.02 0.00 -1.04 0.00 0.00 41.96 38.27 3k1q s TYR 25 CO -0.08 -0.72 0.82 -0.08 -1.54 0.00 0.00 175.55 173.95 3k1q s THR 26 N 1.59 4.48 0.00 4.34 -1.32 -0.54 0.89 115.64 125.09 3k1q s THR 26 Ca 0.04 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 3k1q s THR 26 Cb -0.21 -3.72 0.00 0.00 -1.51 0.00 0.00 72.50 67.05 3k1q s THR 26 CO 0.07 -0.71 0.00 -2.11 -2.21 0.00 0.00 174.62 169.65 3k1q n ARG 27 N -2.36 0.00 -0.00 7.08 0.00 -1.26 0.08 116.66 120.20 3k1q n ARG 27 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.83 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 -1.33 1.35 -3.73 8.89 -2.24 -1.26 -4.96 114.28 111.00 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 -0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 67.29 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 0.11 -5.01 118.95 118.34 3k1q s ARG 29 Ca -0.04 -0.39 0.19 0.00 -0.13 0.00 0.00 55.73 55.36 3k1q s ARG 29 Cb 0.08 -3.44 1.23 0.00 -1.56 0.00 0.00 34.95 31.26 3k1q s ARG 29 CO 0.82 -0.10 2.02 1.15 -0.81 0.00 0.00 175.30 178.38 3k1q h THR 30 N 5.35 0.85 -4.16 4.11 2.02 -1.89 -1.42 112.91 117.77 3k1q h THR 30 Ca -0.37 -0.05 -0.48 0.00 0.77 0.00 0.00 66.41 66.28 3k1q h THR 30 Cb 1.18 0.69 -0.29 0.00 -1.74 0.00 0.00 68.15 67.98 3k1q h THR 30 CO 0.59 0.03 -0.81 -0.70 0.37 0.00 0.00 175.52 175.00 3k1q s GLU 31 N -5.17 1.12 -0.91 6.66 2.56 -1.26 -3.49 118.70 118.23 3k1q s GLU 31 Ca -0.06 -0.48 -0.21 0.00 0.00 0.00 0.00 54.97 54.22 3k1q s GLU 31 Cb 0.19 -1.08 -0.12 0.00 2.00 0.00 0.00 34.13 35.12 3k1q s GLU 31 CO 0.72 0.28 1.96 2.41 -0.56 0.00 0.00 175.26 180.08 3k1q n THR 32 N 2.79 2.09 0.27 -1.70 -1.04 0.36 -4.73 114.28 112.32 3k1q n THR 32 Ca -0.14 -1.86 -0.11 0.00 -2.04 0.00 0.00 64.05 59.89 3k1q n THR 32 Cb 0.55 -2.35 -0.05 0.00 -1.82 0.00 0.00 70.33 66.66 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 4.57 0.00 -4.32 12.58 1.35 -1.90 -3.45 112.91 121.74 3k1q h THR 33 Ca 0.43 -0.45 -0.50 0.00 -0.55 0.00 0.00 66.41 65.33 3k1q h THR 33 Cb 0.69 0.00 0.05 0.00 -1.73 0.00 0.00 68.15 67.16 3k1q h THR 33 CO 1.88 0.00 0.41 0.54 -0.25 0.00 0.00 175.52 178.10 3k1q s ASN 34 N -4.70 6.29 0.00 5.36 2.20 -1.26 -4.96 114.94 117.87 3k1q s ASN 34 Ca -0.11 1.47 0.00 0.00 -0.94 0.00 0.00 52.86 53.28 3k1q s ASN 34 Cb 0.01 -2.48 0.00 0.00 -2.00 0.00 0.00 41.25 36.78 3k1q s ASN 34 CO 0.33 -0.83 0.88 0.33 -2.94 0.00 0.00 177.10 174.87 3k1q n PHE 35 N -2.48 0.00 -2.71 1.54 -0.00 -1.26 -4.65 117.46 107.90 3k1q n PHE 35 Ca 0.06 -0.44 -0.43 0.00 -0.00 0.00 0.00 57.45 56.64 3k1q n PHE 35 Cb 0.54 -0.28 0.00 0.00 -0.00 0.00 0.00 39.48 39.74 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 1.07 5.08 0.00 -2.13 2.03 -1.26 -4.68 116.55 116.66 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 0.32 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.13 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 5.84 0.00 -0.95 -0.67 -0.00 -1.26 -4.73 115.22 113.45 3k1q n HIS 37 Ca 0.40 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.79 3k1q n HIS 37 Cb 0.42 0.00 0.12 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 0.00 -1.29 -0.01 1.59 0.00 -1.26 -4.31 120.51 115.23 3k1q n ALA 38 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 3k1q n ALA 38 Cb 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 19.45 17.41 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 -2.48 1.68 -3.59 0.00 2.13 0.46 -0.29 120.64 118.56 3k1q n GLU 39 Ca 0.10 0.01 -0.29 0.00 0.66 0.00 0.00 57.16 57.65 3k1q n GLU 39 Cb 0.52 -1.06 -0.12 0.00 0.27 0.00 0.00 31.44 31.05 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 -2.06 1.56 -0.49 4.31 -0.00 0.26 -3.79 117.35 117.14 3k1q s TYR 40 Ca -0.03 -2.25 -0.13 0.00 -0.00 0.00 0.00 57.07 54.65 3k1q s TYR 40 Cb 0.01 -1.46 0.10 0.00 -0.00 0.00 0.00 41.96 40.61 3k1q s TYR 40 CO 0.08 -0.78 0.40 0.08 -0.00 0.00 0.00 175.55 175.33 3k1q s VAL 41 N 0.33 4.87 -1.09 -3.49 1.01 0.08 -3.20 120.40 118.90 3k1q s VAL 41 Ca 0.22 -1.41 -0.27 0.00 0.00 0.00 0.00 61.98 60.52 3k1q s VAL 41 Cb -0.16 -4.05 -0.23 0.00 0.00 0.00 0.00 36.38 31.95 3k1q s VAL 41 CO -0.06 -0.71 2.11 0.42 0.00 0.00 0.00 175.10 176.87 3k1q s THR 42 N 1.54 3.05 -1.22 3.92 -4.23 -1.26 -0.72 115.64 116.72 3k1q s THR 42 Ca 0.04 -0.08 -0.13 0.00 -1.18 0.00 0.00 61.69 60.34 3k1q s THR 42 Cb -0.26 -4.03 0.17 0.00 1.34 0.00 0.00 72.50 69.72 3k1q s THR 42 CO 0.03 -0.08 1.48 0.00 -0.54 0.00 0.00 174.62 175.51 3k1q n GLY 44 N 3.88 -1.26 4.41 0.00 0.00 -1.26 -1.80 105.19 109.15 3k1q n GLY 44 Ca 0.37 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 -2.48 0.00 -2.03 1.61 5.12 -1.26 -4.97 116.66 112.65 3k1q n ARG 45 Ca -0.19 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.44 3k1q n ARG 45 Cb 0.62 -0.75 -0.05 0.00 -1.16 0.00 0.00 32.46 31.12 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 1.75 -0.96 -1.55 2.02 -0.75 -4.89 117.35 112.98 3k1q s TYR 46 Ca 0.00 0.70 -0.26 0.00 -0.37 0.00 0.00 57.07 57.14 3k1q s TYR 46 Cb 0.00 -4.04 -0.18 0.00 -0.40 0.00 0.00 41.96 37.34 3k1q s TYR 46 CO 0.00 -1.88 2.23 0.95 -1.57 0.00 0.00 175.55 175.28 3k1q s THR 47 N 9.97 3.05 0.25 -0.71 -4.23 -1.25 0.07 115.64 122.79 3k1q s THR 47 Ca 0.70 -0.07 -0.31 0.00 -1.18 0.00 0.00 61.69 60.83 3k1q s THR 47 Cb -0.08 -3.60 -0.12 0.00 1.34 0.00 0.00 72.50 70.03 3k1q s THR 47 CO 0.05 -0.10 1.58 -0.38 -0.54 0.00 0.00 174.62 175.22 3k1q n ILE 48 N 8.86 0.65 -3.90 2.99 5.41 0.10 -1.71 119.36 131.76 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 -1.81 -0.15 0.00 -0.71 0.00 0.00 39.64 37.42 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 7.86 1.77 -0.68 0.00 0.00 -0.87 0.28 119.26 127.62 3k1q h ALA 50 Ca -0.10 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 54.93 3k1q h ALA 50 Cb 1.03 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 3k1q h ALA 50 CO 0.48 0.17 0.19 1.19 0.00 0.00 0.00 179.25 181.29 3k1q n PHE 51 N -4.40 0.62 -0.32 0.00 3.72 -0.97 -2.12 117.46 113.99 3k1q n PHE 51 Ca -0.02 0.81 0.00 0.00 -0.05 0.00 0.00 57.45 58.19 3k1q n PHE 51 Cb 0.19 -1.13 0.00 0.00 -0.94 0.00 0.00 39.48 37.60 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 -0.33 0.00 0.00 0.00 4.77 -0.67 -4.13 117.00 116.64 3k1q n LEU 53 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3k1q n LEU 53 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 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 -0.15 0.00 -4.02 -5.08 -1.04 -1.24 -4.63 114.28 98.13 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 -0.79 115.64 122.24 3k1q s THR 55 Ca 0.00 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 3k1q s THR 55 Cb 0.00 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.41 3k1q s THR 55 CO 0.00 -0.46 0.00 0.18 -0.54 0.00 0.00 174.62 173.80 3k1q n LEU 56 N 1.51 0.00 -4.73 4.79 4.77 -0.69 -4.73 117.00 117.92 3k1q n LEU 56 Ca -0.23 0.00 -0.33 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 0.20 0.00 -0.29 0.00 -1.33 0.00 0.00 177.39 175.98 3k1q s ALA 57 N 0.00 3.41 0.61 -1.18 0.00 -1.26 -4.84 121.76 118.51 3k1q s ALA 57 Ca 0.00 -0.89 -0.19 0.00 0.00 0.00 0.00 51.96 50.88 3k1q s ALA 57 Cb 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 3k1q s ALA 57 CO 0.00 0.65 1.32 -1.25 0.00 0.00 0.00 175.76 176.48 3k1q s PRO 58 N -1.50 2.75 0.17 0.00 0.04 -1.26 -4.50 135.00 130.71 3k1q s PRO 58 Ca 0.20 2.14 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 3k1q s PRO 58 Cb -0.12 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.51 3k1q s PRO 58 CO 0.10 -1.47 1.77 0.45 0.04 0.00 0.00 177.00 177.89 3k1q h HIS 59 N 0.86 0.84 -4.47 0.56 3.86 -1.90 -3.46 115.15 111.44 3k1q h HIS 59 Ca -0.51 -0.03 -0.37 0.00 -1.16 0.00 0.00 60.37 58.30 3k1q h HIS 59 Cb 1.33 -0.26 -0.10 0.00 1.06 0.00 0.00 27.41 29.43 3k1q h HIS 59 CO 0.43 0.63 -0.32 0.00 0.86 0.00 0.00 177.93 179.53 3k1q s ALA 60 N -5.76 1.28 -0.93 2.45 0.00 -1.26 -5.02 121.76 112.52 3k1q s ALA 60 Ca -0.13 -1.78 0.02 0.00 0.00 0.00 0.00 51.96 50.07 3k1q s ALA 60 Cb 0.13 1.30 0.11 0.00 0.00 0.00 0.00 23.12 24.65 3k1q s ALA 60 CO 0.78 -0.74 0.67 0.09 0.00 0.00 0.00 175.76 176.57 3k1q n ASN 61 N -1.52 1.59 -4.30 0.00 4.13 -1.26 -4.73 115.26 109.17 3k1q n ASN 61 Ca 0.04 -2.12 -0.44 0.00 1.68 0.00 0.00 54.58 53.74 3k1q n ASN 61 Cb 0.62 -0.51 -0.00 0.00 -1.54 0.00 0.00 39.78 38.34 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 0.07 4.50 0.26 2.41 0.31 -1.26 -4.89 118.33 119.73 3k1q n VAL 62 Ca 0.04 -5.40 0.15 0.00 -0.01 0.00 0.00 64.34 59.12 3k1q n VAL 62 Cb 0.37 -2.54 0.69 0.00 -0.91 0.00 0.00 33.84 31.44 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 6.52 0.00 0.13 5.55 6.56 -1.98 -0.74 116.57 132.60 3k1q h LYS 63 Ca 0.18 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.76 3k1q h LYS 63 Cb 0.85 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 3k1q h LYS 63 CO 1.03 0.00 -0.06 1.79 -2.06 0.00 0.00 179.45 180.14 3k1q h THR 64 N 0.00 0.96 -0.24 -0.16 1.35 -1.98 0.47 112.91 113.31 3k1q h THR 64 Ca 0.06 -0.34 -0.11 0.00 -0.55 0.00 0.00 66.41 65.47 3k1q h THR 64 Cb 1.01 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 3k1q h THR 64 CO -0.00 0.08 -0.33 0.16 -0.25 0.00 0.00 175.52 175.18 3k1q h ILE 65 N -0.33 1.29 -0.54 6.82 3.07 -1.60 -2.04 117.51 124.17 3k1q h ILE 65 Ca -0.02 -1.43 -0.02 0.00 1.55 0.00 0.00 64.86 64.94 3k1q h ILE 65 Cb 0.27 1.47 -0.02 0.00 -0.27 0.00 0.00 36.82 38.26 3k1q h ILE 65 CO 0.03 0.45 0.26 1.56 -1.05 0.00 0.00 178.15 179.40 3k1q h GLN 66 N 0.43 0.78 -0.43 0.16 7.50 -1.22 0.13 115.11 122.46 3k1q h GLN 66 Ca 0.05 -0.11 -0.05 0.00 0.50 0.00 0.00 58.65 59.04 3k1q h GLN 66 Cb 0.79 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 28.16 3k1q h GLN 66 CO 0.06 0.64 0.05 -0.44 -1.50 0.00 0.00 178.83 177.64 3k1q h ASP 67 N 0.73 0.62 -0.60 1.46 3.32 -0.99 -2.58 116.42 118.38 3k1q h ASP 67 Ca 0.19 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.15 3k1q h ASP 67 Cb 0.11 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3k1q h ASP 67 CO -0.02 0.66 0.37 0.28 -1.72 0.00 0.00 179.24 178.80 3k1q h SER 68 N 0.63 0.60 -0.83 6.45 0.02 -1.05 0.54 113.55 119.92 3k1q h SER 68 Ca 0.14 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.29 3k1q h SER 68 Cb 0.33 -0.13 -0.14 0.00 0.14 0.00 0.00 62.40 62.60 3k1q h SER 68 CO 0.01 0.42 0.15 0.45 -1.14 0.00 0.00 176.83 176.71 3k1q h HIS 69 N 0.72 0.20 0.05 3.45 3.86 -0.36 -0.43 115.15 122.64 3k1q h HIS 69 Ca 0.24 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.50 3k1q h HIS 69 Cb 0.02 0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.53 3k1q h HIS 69 CO -0.05 -0.21 -0.03 0.00 0.86 0.00 0.00 177.93 178.50 3k1q h ALA 70 N 1.74 -0.99 -0.82 2.45 0.00 -1.08 -3.05 119.26 117.51 3k1q h ALA 70 Ca 0.49 -0.02 0.32 0.00 0.00 0.00 0.00 54.91 55.70 3k1q h ALA 70 Cb 0.93 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.67 3k1q h ALA 70 CO -0.65 -0.98 0.48 0.00 0.00 0.00 0.00 179.25 178.10 3k1q h SER 72 N 0.00 0.13 -0.27 0.00 0.02 -0.96 0.24 113.55 112.71 3k1q h SER 72 Ca 0.62 0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 61.55 3k1q h SER 72 Cb 1.78 0.12 -0.08 0.00 0.14 0.00 0.00 62.40 64.36 3k1q h SER 72 CO -0.48 0.06 0.17 -2.11 -1.14 0.00 0.00 176.83 173.33 3k1q n ARG 73 N -5.07 1.36 -0.35 3.45 1.85 0.18 -4.35 116.66 113.74 3k1q n ARG 73 Ca 0.11 -0.82 0.16 0.00 -1.00 0.00 0.00 57.85 56.31 3k1q n ARG 73 Cb 0.36 -1.33 0.38 0.00 -1.05 0.00 0.00 32.46 30.82 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 0.29 0.61 -0.89 2.89 5.75 -0.44 0.14 115.11 123.45 3k1q h GLN 74 Ca 0.17 -0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.72 3k1q h GLN 74 Cb 1.49 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.84 3k1q h GLN 74 CO 0.30 0.40 0.58 -1.35 -2.65 0.00 0.00 178.83 176.10 3k1q h PRO 75 N 0.63 0.88 -0.02 -2.39 0.11 -1.82 -2.39 132.00 127.00 3k1q h PRO 75 Ca 0.62 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.63 3k1q h PRO 75 Cb 1.14 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3k1q h PRO 75 CO -0.43 0.59 -0.18 -0.97 -0.21 0.00 0.00 178.00 176.79 3k1q h ASN 76 N 0.91 0.20 0.20 -2.05 -0.73 -1.27 0.17 115.58 113.01 3k1q h ASN 76 Ca 0.41 -0.70 0.01 0.00 1.87 0.00 0.00 56.30 57.89 3k1q h ASN 76 Cb 0.37 -0.06 -0.04 0.00 0.27 0.00 0.00 38.32 38.86 3k1q h ASN 76 CO -0.17 0.87 -0.38 -0.08 -0.37 0.00 0.00 177.43 177.30 3k1q h GLU 77 N -0.46 -0.64 -0.79 6.67 4.81 -0.90 -1.56 114.58 121.70 3k1q h GLU 77 Ca -0.02 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 3k1q h GLU 77 Cb 0.88 0.15 -0.09 0.00 0.63 0.00 0.00 28.75 30.32 3k1q h GLU 77 CO 0.04 -0.43 0.40 0.00 -0.73 0.00 0.00 179.01 178.29 3k1q h ALA 78 N -0.16 1.15 -0.45 2.92 0.00 -1.37 -1.12 119.26 120.24 3k1q h ALA 78 Ca 0.01 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3k1q h ALA 78 Cb 0.66 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3k1q h ALA 78 CO -0.17 -0.08 0.11 -0.84 0.00 0.00 0.00 179.25 178.27 3k1q h ILE 79 N 0.60 1.23 0.21 0.00 3.07 -0.96 -1.23 117.51 120.43 3k1q h ILE 79 Ca 0.42 -0.81 -0.00 0.00 1.55 0.00 0.00 64.86 66.01 3k1q h ILE 79 Cb 0.54 0.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.00 3k1q h ILE 79 CO -0.33 0.29 -0.17 -0.09 -1.05 0.00 0.00 178.15 176.80 3k1q h ARG 80 N 0.59 -0.37 -0.78 0.16 1.12 -0.60 -0.30 114.38 114.21 3k1q h ARG 80 Ca 0.14 0.03 0.01 0.00 -1.11 0.00 0.00 59.98 59.05 3k1q h ARG 80 Cb 0.32 0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 30.33 3k1q h ARG 80 CO 0.00 -0.25 0.51 0.77 -3.11 0.00 0.00 179.97 177.89 3k1q h SER 81 N -0.39 0.88 -0.26 -3.80 0.02 -1.03 -1.95 113.55 107.02 3k1q h SER 81 Ca -0.01 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3k1q h SER 81 Cb 0.35 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3k1q h SER 81 CO -0.01 0.63 0.12 0.25 -1.14 0.00 0.00 176.83 176.68 3k1q h LEU 82 N 1.04 0.34 -0.52 5.07 5.85 -0.93 0.11 115.31 126.26 3k1q h LEU 82 Ca 0.29 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 3k1q h LEU 82 Cb -0.10 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3k1q h LEU 82 CO -0.07 0.38 -0.12 0.58 -0.34 0.00 0.00 178.44 178.87 3k1q h VAL 83 N 0.28 1.27 0.07 1.05 2.07 -1.01 -0.15 116.25 119.83 3k1q h VAL 83 Ca 0.09 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.34 3k1q h VAL 83 Cb 0.13 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3k1q h VAL 83 CO -0.01 0.45 -0.29 -0.33 0.02 0.00 0.00 177.57 177.41 3k1q h GLU 84 N 0.87 -0.40 -0.25 1.57 4.39 -0.30 -1.87 114.58 118.59 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 0.69 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 3k1q h GLU 84 CO 0.05 -0.26 -0.15 0.28 -1.16 0.00 0.00 179.01 177.77 3k1q n VAL 85 N -4.08 -0.17 -0.09 3.13 0.31 0.21 -1.16 118.33 116.48 3k1q n VAL 85 Ca -0.05 1.36 0.18 0.00 -0.01 0.00 0.00 64.34 65.82 3k1q n VAL 85 Cb 0.22 -1.75 0.60 0.00 -0.91 0.00 0.00 33.84 32.01 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 0.18 -1.10 4.52 0.02 -0.83 0.77 113.55 117.11 3k1q h SER 86 Ca 0.04 0.01 -0.68 0.00 -0.84 0.00 0.00 61.79 60.32 3k1q h SER 86 Cb 0.10 -0.03 -0.30 0.00 0.14 0.00 0.00 62.40 62.31 3k1q h SER 86 CO -0.23 0.09 0.70 0.47 -1.14 0.00 0.00 176.83 176.72 3k1q n ASP 87 N -4.42 7.36 0.00 3.07 8.00 -0.31 -4.05 116.55 126.20 3k1q n ASP 87 Ca 0.12 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.83 3k1q n ASP 87 Cb 0.59 -0.92 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 -0.85 0.00 -3.65 -1.24 5.02 -0.57 -1.68 118.16 115.20 3k1q n LYS 88 Ca 0.60 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.88 3k1q n LYS 88 Cb 0.64 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.59 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 -1.89 -2.43 0.27 7.82 0.00 0.26 -3.30 121.76 122.49 3k1q s ALA 89 Ca 0.00 2.07 -0.20 0.00 0.00 0.00 0.00 51.96 53.83 3k1q s ALA 89 Cb 0.00 -1.82 0.06 0.00 0.00 0.00 0.00 23.12 21.36 3k1q s ALA 89 CO 0.00 -0.32 0.88 1.14 0.00 0.00 0.00 175.76 177.47 3k1q s GLN 90 N 1.10 1.70 -0.48 0.00 1.03 -1.26 -4.01 119.66 117.75 3k1q s GLN 90 Ca -0.07 -1.05 -0.18 0.00 0.04 0.00 0.00 55.36 54.09 3k1q s GLN 90 Cb -0.03 0.51 -0.11 0.00 0.03 0.00 0.00 33.01 33.40 3k1q s GLN 90 CO -0.12 -0.79 1.38 0.25 -2.54 0.00 0.00 175.29 173.46 3k1q n THR 91 N -0.56 0.00 -1.64 3.63 -2.24 -1.26 -4.77 114.28 107.44 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 -0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.59 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 5.27 0.52 -1.60 6.98 0.00 -1.26 -4.76 120.51 125.66 3k1q n ALA 92 Ca 0.34 0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.76 3k1q n ALA 92 Cb 0.01 -2.15 -0.11 0.00 0.00 0.00 0.00 19.45 17.19 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 -1.69 2.36 -0.73 0.00 2.96 -1.26 -4.84 118.68 115.48 3k1q s LEU 93 Ca 0.69 -0.91 -0.23 0.00 -0.22 0.00 0.00 54.13 53.46 3k1q s LEU 93 Cb -0.47 -2.60 0.07 0.00 0.50 0.00 0.00 46.19 43.69 3k1q s LEU 93 CO 0.52 -4.78 1.07 -0.69 -1.32 0.00 0.00 176.35 171.14 3k1q s VAL 94 N 17.12 4.25 0.46 1.68 1.01 -1.26 -4.85 120.40 138.81 3k1q s VAL 94 Ca 0.82 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3k1q s VAL 94 Cb -0.05 -4.76 0.00 0.00 0.00 0.00 0.00 36.38 31.57 3k1q s VAL 94 CO 0.18 -1.56 0.00 0.61 0.00 0.00 0.00 175.10 174.33 3k1q n GLY 95 N 5.45 -3.42 2.84 4.51 0.00 -1.26 -1.61 105.19 111.70 3k1q n GLY 95 Ca 0.03 -1.08 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 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 -5.78 0.55 0.10 1.61 0.15 -1.26 -1.99 113.70 107.07 3k1q s SER 96 Ca 0.00 -0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.30 3k1q s SER 96 Cb 0.00 -0.28 -0.11 0.00 -1.71 0.00 0.00 66.02 63.91 3k1q s SER 96 CO 0.00 -0.08 1.47 0.03 1.20 0.00 0.00 173.24 175.86 3k1q h ARG 97 N 7.20 -0.52 -1.92 5.44 3.08 -1.88 -3.33 114.38 122.46 3k1q h ARG 97 Ca -0.42 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3k1q h ARG 97 Cb 1.14 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 3k1q h ARG 97 CO 0.48 -0.34 0.03 0.25 -1.07 0.00 0.00 179.97 179.31 3k1q n THR 98 N -5.02 1.99 0.00 2.04 -2.24 -1.26 -4.92 114.28 104.88 3k1q n THR 98 Ca -0.06 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3k1q n THR 98 Cb 0.33 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 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 1.38 0.00 -2.86 2.28 0.31 -1.25 -4.09 118.33 114.09 3k1q n VAL 99 Ca 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3k1q n VAL 99 Cb 0.51 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.44 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 -0.79 -0.04 4.52 2.15 -1.26 -4.90 116.67 112.35 3k1q s ASP 100 Ca 0.00 -0.58 0.13 0.00 0.43 0.00 0.00 52.55 52.53 3k1q s ASP 100 Cb 0.00 1.01 0.45 0.00 -0.30 0.00 0.00 42.92 44.08 3k1q s ASP 100 CO 0.00 -0.07 1.33 -1.22 -0.17 0.00 0.00 175.17 175.05 3k1q n TYR 101 N 3.54 0.83 -4.24 -5.34 4.02 -0.33 -4.92 117.16 110.72 3k1q n TYR 101 Ca 0.10 -0.36 -0.14 0.00 -0.01 0.00 0.00 57.90 57.50 3k1q n TYR 101 Cb 0.61 -0.10 -0.10 0.00 -0.02 0.00 0.00 39.34 39.73 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 -1.58 1.22 -0.14 -0.72 -3.43 -1.26 -1.01 115.29 108.36 3k1q s HIS 102 Ca 0.33 -0.90 -0.13 0.00 -0.80 0.00 0.00 55.06 53.56 3k1q s HIS 102 Cb 0.19 -0.67 0.04 0.00 -1.43 0.00 0.00 32.58 30.71 3k1q s HIS 102 CO 0.18 -0.08 0.38 -2.00 -2.00 0.00 0.00 174.74 171.22 3k1q s GLU 103 N -3.84 0.44 -0.72 -0.38 2.56 -0.48 -5.02 118.70 111.26 3k1q s GLU 103 Ca 0.20 0.55 -0.06 0.00 0.00 0.00 0.00 54.97 55.66 3k1q s GLU 103 Cb 0.05 0.19 0.19 0.00 2.00 0.00 0.00 34.13 36.55 3k1q s GLU 103 CO 0.02 -0.06 0.57 -1.17 -0.56 0.00 0.00 175.26 174.06 3k1q s LEU 104 N 0.32 5.70 -1.08 2.70 2.96 -1.26 -2.10 118.68 125.92 3k1q s LEU 104 Ca -0.01 -2.92 -0.09 0.00 -0.22 0.00 0.00 54.13 50.89 3k1q s LEU 104 Cb -0.03 -1.96 0.27 0.00 0.50 0.00 0.00 46.19 44.97 3k1q s LEU 104 CO -0.01 -0.40 1.06 -1.81 -1.32 0.00 0.00 176.35 173.87 3k1q s ASP 105 N 0.99 7.16 0.00 3.68 -0.00 0.11 -4.94 116.67 123.67 3k1q s ASP 105 Ca 0.19 -3.56 -0.02 0.00 -0.00 0.00 0.00 52.55 49.15 3k1q s ASP 105 Cb -0.16 -2.18 -0.08 0.00 -0.00 0.00 0.00 42.92 40.50 3k1q s ASP 105 CO -0.06 -0.29 1.90 1.33 -0.00 0.00 0.00 175.17 178.05 3k1q n VAL 106 N 2.73 1.63 -3.26 -1.27 0.24 -1.26 -1.62 118.33 115.52 3k1q n VAL 106 Ca 0.23 -0.64 -0.35 0.00 -2.04 0.00 0.00 64.34 61.54 3k1q n VAL 106 Cb 0.39 -1.56 -0.04 0.00 -1.47 0.00 0.00 33.84 31.16 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 2.13 3.41 0.00 7.34 5.02 -1.26 -4.83 118.16 129.97 3k1q n LYS 107 Ca 0.13 -4.61 0.00 0.00 -2.02 0.00 0.00 58.31 51.82 3k1q n LYS 107 Cb 0.46 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 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 1.20 0.00 -2.60 7.82 0.00 -1.26 -4.50 120.51 121.17 3k1q n ALA 108 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 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 1.82 -0.77 0.00 0.00 -1.26 -4.12 107.32 102.99 3k1q s GLY 109 Ca 0.00 -0.68 -0.26 0.00 0.00 0.00 0.00 44.72 43.78 3k1q s GLY 109 CO 0.00 1.29 1.60 -1.36 0.00 0.00 0.00 173.10 174.63 3k1q s PHE 110 N 2.39 2.05 -1.02 1.90 0.40 0.22 -4.81 117.98 119.11 3k1q s PHE 110 Ca 0.22 0.18 -0.23 0.00 -0.60 0.00 0.00 56.93 56.50 3k1q s PHE 110 Cb -0.15 -4.38 -0.00 0.00 0.51 0.00 0.00 43.02 38.99 3k1q s PHE 110 CO 0.10 -2.08 1.73 0.08 0.70 0.00 0.00 175.22 175.76 3k1q s VAL 111 N 7.34 3.71 -0.59 -0.44 1.01 -0.64 -2.31 120.40 128.47 3k1q s VAL 111 Ca 0.53 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3k1q s VAL 111 Cb -0.08 -4.59 0.15 0.00 0.00 0.00 0.00 36.38 31.86 3k1q s VAL 111 CO 0.10 -1.44 0.37 0.00 0.00 0.00 0.00 175.10 174.13 3k1q s ALA 112 N 7.63 3.50 0.15 5.51 0.00 0.13 0.04 121.76 138.71 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 -0.02 -2.38 -0.07 0.00 0.00 0.00 0.00 23.12 20.65 3k1q s ALA 112 CO -0.02 -2.07 1.16 -1.25 0.00 0.00 0.00 175.76 173.58 3k1q s PRO 113 N -0.36 4.51 -0.26 0.00 0.04 -0.89 -0.91 135.00 137.13 3k1q s PRO 113 Ca 0.18 1.78 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 3k1q s PRO 113 Cb -0.21 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 3k1q s PRO 113 CO -0.03 -0.08 0.02 0.99 0.04 0.00 0.00 177.00 177.95 3k1q s THR 114 N 0.20 3.72 -0.12 1.26 2.01 0.13 -1.38 115.64 121.46 3k1q s THR 114 Ca 0.53 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.97 3k1q s THR 114 Cb -0.30 -2.81 0.02 0.00 0.01 0.00 0.00 72.50 69.41 3k1q s THR 114 CO 0.34 0.25 -0.13 0.00 -0.69 0.00 0.00 174.62 174.39 3k1q s ALA 115 N 1.49 1.65 0.00 7.40 0.00 -0.18 -0.56 121.76 131.56 3k1q s ALA 115 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3k1q s ALA 115 Cb -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.03 3k1q s ALA 115 CO 0.00 -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 -3.59 0.00 -0.08 0.97 -3.66 116.55 114.79 3k1q n ASP 116 Ca -0.17 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.80 3k1q n ASP 116 Cb 0.50 0.00 -0.05 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 3.11 0.00 -0.67 1.02 -1.26 -4.25 120.64 118.59 3k1q n GLU 117 Ca 0.00 -4.64 0.00 0.00 -0.02 0.00 0.00 57.16 52.50 3k1q n GLU 117 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.09 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 -3.90 2.62 -2.24 -1.24 -4.14 114.28 106.36 3k1q n THR 118 Ca 0.29 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 62.09 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 -1.19 121.20 116.70 3k1q s ILE 119 Ca 0.00 -0.17 0.03 0.00 -0.26 0.00 0.00 60.65 60.25 3k1q s ILE 119 Cb 0.00 -2.74 0.15 0.00 1.25 0.00 0.00 42.46 41.11 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 -2.10 2.68 0.22 2.27 0.00 -1.21 -0.92 121.76 122.71 3k1q s ALA 120 Ca 0.26 -3.00 -0.08 0.00 0.00 0.00 0.00 51.96 49.14 3k1q s ALA 120 Cb 0.01 -1.98 0.18 0.00 0.00 0.00 0.00 23.12 21.33 3k1q s ALA 120 CO -0.01 -2.05 1.84 -1.00 0.00 0.00 0.00 175.76 174.53 3k1q h PRO 121 N 6.27 1.17 -6.59 0.00 0.13 -1.88 -3.46 132.00 127.63 3k1q h PRO 121 Ca 0.04 -0.14 -0.57 0.00 -0.87 0.00 0.00 66.00 64.46 3k1q h PRO 121 Cb 0.88 -0.23 0.07 0.00 0.13 0.00 0.00 31.00 31.86 3k1q h PRO 121 CO 0.57 0.86 0.72 0.45 -0.23 0.00 0.00 178.00 180.36 3k1q n SER 122 N -4.38 3.04 -0.06 1.44 2.88 -1.12 -4.93 113.62 110.49 3k1q n SER 122 Ca 0.08 1.12 -0.07 0.00 -1.33 0.00 0.00 58.87 58.68 3k1q n SER 122 Cb 0.10 -1.45 -0.08 0.00 -0.75 0.00 0.00 64.21 62.02 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 2.51 1.53 0.00 -1.46 3.00 -1.26 -5.00 118.16 117.48 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 0.31 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 34.06 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 -2.59 0.00 0.00 3.14 8.00 -1.26 -4.87 116.55 118.97 3k1q n ASP 124 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.29 3k1q n ASP 124 Cb 0.83 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 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 -0.57 0.53 -5.35 -1.26 -3.99 119.36 108.72 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 0.22 0.00 -1.74 0.00 0.00 39.64 38.12 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 -2.78 7.28 0.31 -1.21 -1.51 118.33 120.43 3k1q n VAL 126 Ca 0.00 -0.38 -0.15 0.00 -0.01 0.00 0.00 64.34 63.80 3k1q n VAL 126 Cb 0.00 -0.80 0.02 0.00 -0.91 0.00 0.00 33.84 32.15 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 -3.54 -3.35 -0.34 5.55 1.02 -1.22 -3.91 120.64 114.84 3k1q n GLU 127 Ca 0.02 0.62 0.12 0.00 -0.02 0.00 0.00 57.16 57.89 3k1q n GLU 127 Cb 0.58 -4.87 0.32 0.00 -0.02 0.00 0.00 31.44 27.45 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 -0.96 0.79 -8.16 -4.62 5.85 -1.55 -2.39 115.31 104.27 3k1q h LEU 128 Ca -0.36 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.33 3k1q h LEU 128 Cb 1.25 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3k1q h LEU 128 CO 0.39 0.34 0.30 -2.16 -0.34 0.00 0.00 178.44 176.96 3k1q s PRO 129 N -5.83 1.68 -1.04 5.25 0.04 -1.26 -4.35 135.00 129.49 3k1q s PRO 129 Ca -0.11 -0.27 -0.10 0.00 0.04 0.00 0.00 61.00 60.56 3k1q s PRO 129 Cb 0.24 -4.98 0.09 0.00 0.04 0.00 0.00 34.50 29.89 3k1q s PRO 129 CO 0.80 -4.70 0.34 1.19 0.04 0.00 0.00 177.00 174.68 3k1q n PHE 130 N 17.85 -1.67 -4.31 0.56 3.72 -1.24 -4.95 117.46 127.42 3k1q n PHE 130 Ca 0.43 0.36 -0.16 0.00 -0.05 0.00 0.00 57.45 58.03 3k1q n PHE 130 Cb 0.46 -2.06 -0.10 0.00 -0.94 0.00 0.00 39.48 36.84 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 -5.97 1.31 -0.16 -1.08 1.81 -0.90 -5.05 118.95 108.91 3k1q s ARG 131 Ca 0.37 -1.68 -0.29 0.00 -1.72 0.00 0.00 55.73 52.41 3k1q s ARG 131 Cb -0.21 -0.44 -0.01 0.00 -0.45 0.00 0.00 34.95 33.84 3k1q s ARG 131 CO 0.46 -0.16 1.26 0.95 -0.68 0.00 0.00 175.30 177.12 3k1q s THR 132 N -3.57 4.28 0.18 0.02 -4.23 -1.24 -4.40 115.64 106.68 3k1q s THR 132 Ca 0.30 1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 62.21 3k1q s THR 132 Cb 0.07 -4.00 0.16 0.00 1.34 0.00 0.00 72.50 70.06 3k1q s THR 132 CO 0.09 -0.13 1.26 0.00 -0.54 0.00 0.00 174.62 175.30 3k1q s ASP 134 N -5.31 6.38 1.62 0.00 1.01 -1.26 -4.00 116.67 115.12 3k1q s ASP 134 Ca -0.11 -2.11 0.00 0.00 0.71 0.00 0.00 52.55 51.04 3k1q s ASP 134 Cb 0.16 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.88 3k1q s ASP 134 CO 0.57 -0.76 0.00 0.18 0.21 0.00 0.00 175.17 175.37 3k1q n LEU 135 N 4.80 0.00 -1.52 1.23 4.77 -1.16 -0.25 117.00 124.87 3k1q n LEU 135 Ca -0.04 0.00 -0.11 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 0.47 0.00 0.87 -0.67 -1.33 0.00 0.00 177.39 176.73 3k1q n ASP 136 N 7.29 2.96 -0.04 -1.43 2.03 -1.26 -3.72 116.55 122.38 3k1q n ASP 136 Ca 0.00 -3.75 -0.03 0.00 0.52 0.00 0.00 54.79 51.53 3k1q n ASP 136 Cb 0.00 -0.70 -0.07 0.00 -0.72 0.00 0.00 41.12 39.63 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 -1.13 2.75 -0.08 1.67 5.75 0.65 -4.50 116.55 121.67 3k1q n ASP 137 Ca 0.42 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 55.22 3k1q n ASP 137 Cb 1.22 0.84 0.05 0.00 -1.03 0.00 0.00 41.12 42.20 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 -2.26 -0.05 0.19 -1.12 7.64 -1.05 -1.35 113.62 115.62 3k1q n SER 138 Ca -0.13 0.38 -0.16 0.00 1.01 0.00 0.00 58.87 59.98 3k1q n SER 138 Cb 0.71 -0.13 -0.08 0.00 -1.01 0.00 0.00 64.21 63.70 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 -1.21 -0.15 6.43 4.64 -1.90 -0.08 113.55 121.28 3k1q h SER 139 Ca 0.12 0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.47 3k1q h SER 139 Cb 0.23 0.43 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3k1q h SER 139 CO -0.22 -0.54 -0.25 0.00 -0.87 0.00 0.00 176.83 174.95 3k1q h ALA 140 N -0.39 0.23 -0.27 5.18 0.00 -1.73 -3.25 119.26 119.03 3k1q h ALA 140 Ca -0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 3k1q h ALA 140 Cb 0.73 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3k1q h ALA 140 CO -0.15 0.21 -0.35 1.79 0.00 0.00 0.00 179.25 180.75 3k1q h THR 141 N 0.05 1.29 -0.16 0.00 1.35 -0.88 -2.13 112.91 112.43 3k1q h THR 141 Ca 0.01 -1.48 0.05 0.00 -0.55 0.00 0.00 66.41 64.43 3k1q h THR 141 Cb 0.83 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 3k1q h THR 141 CO 0.06 0.47 0.13 0.00 -0.25 0.00 0.00 175.52 175.93 3k1q h ALA 142 N 1.12 1.97 -0.53 6.62 0.00 -1.09 0.48 119.26 127.84 3k1q h ALA 142 Ca 0.05 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3k1q h ALA 142 Cb 0.84 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 3k1q h ALA 142 CO 0.07 -0.21 -0.47 0.00 0.00 0.00 0.00 179.25 178.63 3k1q h VAL 144 N -0.28 0.96 0.00 0.00 2.07 -1.40 -2.93 116.25 114.66 3k1q h VAL 144 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 3k1q h VAL 144 Cb 0.57 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3k1q h VAL 144 CO -0.66 0.00 0.00 0.54 0.02 0.00 0.00 177.57 177.47 3k1q n ARG 145 N -5.12 0.94 0.02 1.57 1.74 0.08 -0.37 116.66 115.52 3k1q n ARG 145 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3k1q n ARG 145 Cb 0.05 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 0.14 0.00 -0.07 0.55 2.85 -0.68 -2.07 115.26 115.98 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 0.29 0.06 -0.12 0.00 1.24 0.00 0.00 39.78 41.24 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 0.13 0.11 1.20 6.17 -1.37 -3.39 115.15 117.99 3k1q h HIS 147 Ca 0.00 -0.09 -0.01 0.00 0.71 0.00 0.00 60.37 60.98 3k1q h HIS 147 Cb 0.12 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.05 3k1q h HIS 147 CO 0.00 1.43 -0.05 0.00 0.71 0.00 0.00 177.93 180.02 3k1q n GLN 149 N -3.48 0.68 -1.54 0.00 7.27 0.50 -1.32 117.38 119.49 3k1q n GLN 149 Ca -0.02 -2.90 -0.26 0.00 0.07 0.00 0.00 57.00 53.89 3k1q n GLN 149 Cb 0.06 -1.30 -0.09 0.00 2.41 0.00 0.00 30.24 31.32 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 1.59 0.60 -0.86 1.69 0.00 -1.24 -3.76 120.51 118.52 3k1q n ALA 150 Ca 0.19 -1.01 -0.15 0.00 0.00 0.00 0.00 53.44 52.47 3k1q n ALA 150 Cb 0.55 -3.00 0.03 0.00 0.00 0.00 0.00 19.45 17.03 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 6.30 3.96 1.10 0.00 0.00 -0.88 -4.11 105.19 111.56 3k1q n GLY 151 Ca 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.47 0.00 -0.63 1.61 8.25 -0.09 -2.79 115.22 122.03 3k1q n HIS 152 Ca 0.27 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.46 3k1q n HIS 152 Cb 0.57 0.19 0.16 0.00 1.12 0.00 0.00 29.99 32.03 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 -2.08 -2.69 0.00 0.41 5.68 -1.04 -0.49 116.55 116.34 3k1q n ASP 153 Ca 0.00 -0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.05 3k1q n ASP 153 Cb 0.00 -0.85 0.00 0.00 -1.14 0.00 0.00 41.12 39.13 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 2.29 -0.54 0.00 6.12 0.00 -1.24 -1.76 105.19 110.06 3k1q n GLY 154 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.91 1.61 0.31 -1.26 -2.64 118.33 114.44 3k1q n VAL 155 Ca 0.00 1.14 -0.38 0.00 -0.01 0.00 0.00 64.34 65.09 3k1q n VAL 155 Cb 0.00 -2.04 0.04 0.00 -0.91 0.00 0.00 33.84 30.93 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 -1.05 3.48 -3.96 2.52 -5.35 -1.26 -3.90 119.36 109.85 3k1q n ILE 156 Ca 0.00 -4.21 -0.19 0.00 -0.27 0.00 0.00 62.75 58.08 3k1q n ILE 156 Cb 0.00 -1.23 -0.17 0.00 -1.74 0.00 0.00 39.64 36.50 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 -4.00 0.48 0.00 4.28 3.76 -1.08 -4.35 115.29 114.38 3k1q s HIS 157 Ca 0.53 -0.07 -0.00 0.00 -0.15 0.00 0.00 55.06 55.36 3k1q s HIS 157 Cb 0.44 -0.55 0.00 0.00 1.11 0.00 0.00 32.58 33.59 3k1q s HIS 157 CO -0.35 -0.18 0.01 -0.11 -0.85 0.00 0.00 174.74 173.25 3k1q n LEU 158 N 4.34 -3.20 -3.88 0.89 7.94 -1.26 -3.74 117.00 118.09 3k1q n LEU 158 Ca -0.22 1.84 -0.42 0.00 -1.11 0.00 0.00 56.01 56.10 3k1q n LEU 158 Cb 0.50 -2.31 0.01 0.00 0.53 0.00 0.00 43.42 42.15 3k1q n LEU 158 CO 0.20 -2.26 1.64 -0.81 -1.11 0.00 0.00 177.39 175.06 3k1q n PRO 159 N 1.95 4.09 0.00 1.96 -0.04 -1.26 -3.61 135.00 138.10 3k1q n PRO 159 Ca -0.01 -3.97 0.00 0.00 -0.04 0.00 0.00 63.50 59.48 3k1q n PRO 159 Cb 0.02 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 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 2.31 0.00 1.02 0.52 -5.35 -0.45 -1.82 119.36 115.59 3k1q n ILE 160 Ca 0.36 0.29 0.03 0.00 -0.27 0.00 0.00 62.75 63.16 3k1q n ILE 160 Cb 0.34 -0.74 0.19 0.00 -1.74 0.00 0.00 39.64 37.68 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 -0.15 0.00 -3.76 7.28 4.77 0.23 -1.40 117.00 123.97 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 -1.69 3.77 0.00 -1.43 0.15 -0.45 -2.01 113.70 112.04 3k1q s SER 162 Ca 0.09 -2.93 0.00 0.00 0.70 0.00 0.00 55.95 53.82 3k1q s SER 162 Cb 0.04 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 3k1q s SER 162 CO 0.07 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.90 3k1q n GLY 163 N 3.16 2.09 2.67 9.45 0.00 -0.99 -4.71 105.19 116.87 3k1q n GLY 163 Ca 0.11 -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 7.23 0.00 1.61 5.68 -0.55 -4.94 116.55 125.58 3k1q n ASP 164 Ca 0.00 -3.51 0.00 0.00 -0.50 0.00 0.00 54.79 50.78 3k1q n ASP 164 Cb 0.00 -1.18 0.00 0.00 -1.14 0.00 0.00 41.12 38.80 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 0.33 0.00 -3.92 2.11 3.01 -0.49 -3.88 117.46 114.61 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 0.34 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.66 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 -1.65 1.53 0.00 -1.08 -0.14 -1.26 -4.29 119.74 112.86 3k1q s LYS 166 Ca 0.00 -0.89 0.25 0.00 -1.36 0.00 0.00 55.97 53.98 3k1q s LYS 166 Cb 0.00 -2.49 1.30 0.00 -1.68 0.00 0.00 37.83 34.96 3k1q s LYS 166 CO 0.00 -0.58 1.85 1.28 -0.76 0.00 0.00 175.35 177.15 3k1q n LEU 167 N 4.73 0.00 -0.03 3.17 4.32 -1.25 -0.74 117.00 127.19 3k1q n LEU 167 Ca -0.12 0.27 0.23 0.00 -0.02 0.00 0.00 56.01 56.37 3k1q n LEU 167 Cb 0.45 -0.27 0.72 0.00 -1.62 0.00 0.00 43.42 42.70 3k1q n LEU 167 CO 0.17 -0.04 1.21 -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 -3.16 132.00 130.30 3k1q h PRO 168 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3k1q h PRO 168 Cb 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3k1q h PRO 168 CO 0.00 0.00 -1.28 0.09 -0.21 0.00 0.00 178.00 176.60 3k1q n ASN 169 N -4.08 3.95 -4.71 -2.05 4.13 -0.18 -2.05 115.26 110.29 3k1q n ASN 169 Ca 0.12 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.03 3k1q n ASN 169 Cb 0.74 0.69 -0.08 0.00 -1.54 0.00 0.00 39.78 39.59 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 4.11 0.18 3.52 2.02 0.08 -4.84 118.70 121.64 3k1q s GLU 170 Ca -0.02 -0.25 -0.08 0.00 0.02 0.00 0.00 54.97 54.63 3k1q s GLU 170 Cb 0.01 -3.35 0.26 0.00 0.10 0.00 0.00 34.13 31.15 3k1q s GLU 170 CO 0.18 0.30 1.10 1.58 0.02 0.00 0.00 175.26 178.44 3k1q n HIS 171 N 3.49 0.16 -0.11 1.61 -0.00 -1.26 -4.48 115.22 114.62 3k1q n HIS 171 Ca -0.16 0.87 0.00 0.00 0.46 0.00 0.00 57.72 58.89 3k1q n HIS 171 Cb 0.52 -0.85 0.00 0.00 -0.12 0.00 0.00 29.99 29.54 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 -5.11 0.37 -4.33 1.57 -0.04 -1.26 -3.66 135.00 122.54 3k1q n PRO 172 Ca 0.10 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.29 3k1q n PRO 172 Cb 0.33 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.68 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 -0.28 2.91 -0.31 0.52 -4.23 -1.26 -2.20 115.64 110.78 3k1q s THR 173 Ca 0.00 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 58.68 3k1q s THR 173 Cb 0.00 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.44 3k1q s THR 173 CO 0.00 -0.10 0.06 -0.54 -0.54 0.00 0.00 174.62 173.50 3k1q s LYS 174 N -2.75 2.80 0.33 3.99 1.02 0.03 -4.90 119.74 120.26 3k1q s LYS 174 Ca 0.23 -1.04 -0.27 0.00 0.02 0.00 0.00 55.97 54.90 3k1q s LYS 174 Cb -0.09 -3.34 -0.09 0.00 -0.52 0.00 0.00 37.83 33.79 3k1q s LYS 174 CO 0.13 -0.55 1.11 -2.14 -0.92 0.00 0.00 175.35 172.99 3k1q s PRO 175 N 1.41 4.42 -0.53 -1.68 0.02 -1.26 -2.08 135.00 135.30 3k1q s PRO 175 Ca -0.00 1.76 -0.22 0.00 0.02 0.00 0.00 61.00 62.56 3k1q s PRO 175 Cb -0.18 -2.95 0.05 0.00 0.02 0.00 0.00 34.50 31.43 3k1q s PRO 175 CO 0.01 0.03 0.82 -1.17 -0.33 0.00 0.00 177.00 176.36 3k1q s LEU 176 N -1.91 4.43 -0.52 -5.54 2.96 -1.26 -2.48 118.68 114.37 3k1q s LEU 176 Ca 0.50 -0.56 -0.26 0.00 -0.22 0.00 0.00 54.13 53.59 3k1q s LEU 176 Cb -0.30 -2.69 -0.07 0.00 0.50 0.00 0.00 46.19 43.63 3k1q s LEU 176 CO 0.38 -1.09 2.38 -0.62 -1.32 0.00 0.00 176.35 176.09 3k1q s ASP 177 N 2.76 4.44 -0.07 3.68 2.15 0.36 -4.37 116.67 125.61 3k1q s ASP 177 Ca 0.25 0.98 -0.03 0.00 0.43 0.00 0.00 52.55 54.17 3k1q s ASP 177 Cb -0.15 -2.50 0.04 0.00 -0.30 0.00 0.00 42.92 40.01 3k1q s ASP 177 CO 0.17 -2.92 0.16 1.51 -0.17 0.00 0.00 175.17 173.91 3k1q s ASP 178 N 11.95 0.10 0.16 -0.34 -4.77 -1.26 -3.30 116.67 119.21 3k1q s ASP 178 Ca 0.96 0.32 -0.17 0.00 -3.30 0.00 0.00 52.55 50.36 3k1q s ASP 178 Cb -0.16 0.23 0.09 0.00 -1.09 0.00 0.00 42.92 41.98 3k1q s ASP 178 CO 0.25 -0.18 1.68 0.71 0.70 0.00 0.00 175.17 178.33 3k1q h THR 179 N 6.14 0.63 -2.07 2.11 1.35 -1.53 -3.41 112.91 116.14 3k1q h THR 179 Ca -0.35 -0.01 -0.62 0.00 -0.55 0.00 0.00 66.41 64.88 3k1q h THR 179 Cb 1.13 0.61 0.06 0.00 -1.73 0.00 0.00 68.15 68.23 3k1q h THR 179 CO 0.35 0.00 0.65 1.57 -0.25 0.00 0.00 175.52 177.83 3k1q n HIS 180 N -5.28 1.96 -1.48 4.73 -0.00 -0.63 -4.72 115.22 109.79 3k1q n HIS 180 Ca 0.02 0.43 -0.44 0.00 -0.00 0.00 0.00 57.72 57.72 3k1q n HIS 180 Cb 0.21 -2.45 -0.09 0.00 -0.00 0.00 0.00 29.99 27.66 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 2.96 0.65 -2.74 1.57 -0.04 -1.26 -2.92 135.00 133.21 3k1q n PRO 181 Ca 0.17 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.59 3k1q n PRO 181 Cb 0.25 -2.37 -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 11.65 -1.62 0.30 0.54 8.25 -1.24 -4.62 115.22 128.47 3k1q n HIS 182 Ca 0.49 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 3k1q n HIS 182 Cb 0.24 -2.50 0.00 0.00 1.12 0.00 0.00 29.99 28.85 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 -1.90 2.92 -4.57 0.41 5.68 -1.15 -4.57 116.55 113.37 3k1q n ASP 183 Ca -0.08 -1.71 -0.14 0.00 -0.50 0.00 0.00 54.79 52.36 3k1q n ASP 183 Cb 0.57 -0.56 -0.10 0.00 -1.14 0.00 0.00 41.12 39.89 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 1.02 0.25 -3.06 0.11 4.01 -1.26 -4.82 118.16 114.41 3k1q n LYS 184 Ca 0.00 -1.40 -0.45 0.00 -0.51 0.00 0.00 58.31 55.95 3k1q n LYS 184 Cb 0.37 -3.85 -0.03 0.00 -0.51 0.00 0.00 35.03 31.02 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 16.50 4.98 -1.18 -0.18 -7.23 -1.26 -0.65 120.40 131.37 3k1q s VAL 185 Ca 0.86 -1.72 -0.21 0.00 -1.81 0.00 0.00 61.98 59.09 3k1q s VAL 185 Cb -0.08 -4.65 -0.02 0.00 0.56 0.00 0.00 36.38 32.18 3k1q s VAL 185 CO 0.15 -1.32 1.84 -0.76 -0.31 0.00 0.00 175.10 174.70 3k1q s LEU 186 N 2.02 3.34 -0.04 1.32 1.02 -0.48 -4.55 118.68 121.31 3k1q s LEU 186 Ca 0.26 -1.81 -0.36 0.00 0.02 0.00 0.00 54.13 52.24 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 -2.34 1.69 0.41 0.02 0.00 0.00 176.35 176.07 3k1q n THR 187 N 7.30 0.28 -0.86 5.49 -1.04 -0.88 -2.32 114.28 122.24 3k1q n THR 187 Ca 0.45 -0.05 -0.31 0.00 -2.04 0.00 0.00 64.05 62.10 3k1q n THR 187 Cb 0.47 -1.48 0.15 0.00 -1.82 0.00 0.00 70.33 67.65 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 2.60 1.14 0.44 -2.82 0.52 -0.49 -0.79 118.95 119.56 3k1q s ARG 188 Ca 0.89 1.32 -0.25 0.00 -0.52 0.00 0.00 55.73 57.17 3k1q s ARG 188 Cb -0.82 -1.76 -0.08 0.00 0.52 0.00 0.00 34.95 32.82 3k1q s ARG 188 CO 0.51 -2.47 1.38 0.00 0.02 0.00 0.00 175.30 174.74 3k1q h PRO 190 N 2.36 0.49 0.00 0.00 0.11 -1.70 -1.68 132.00 131.59 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 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3k1q h PRO 190 CO 0.61 0.33 -0.21 0.87 -0.21 0.00 0.00 178.00 179.38 3k1q h LYS 191 N 0.51 0.00 0.00 1.05 1.79 -1.66 -1.94 116.57 116.32 3k1q h LYS 191 Ca 0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 3k1q h LYS 191 Cb 0.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 3k1q h LYS 191 CO -0.44 0.21 0.15 1.15 -1.08 0.00 0.00 179.45 179.44 3k1q h THR 192 N 0.00 0.00 0.00 -0.16 2.02 -1.59 -3.47 112.91 109.71 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 0.41 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3k1q h THR 192 CO 0.03 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.53 3k1q n GLY 193 N -1.27 1.09 3.26 2.16 0.00 -0.73 -4.77 105.19 104.93 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 4.75 -0.70 0.99 2.96 -1.26 -4.90 118.68 120.52 3k1q s LEU 194 Ca 0.00 -1.37 -0.17 0.00 -0.22 0.00 0.00 54.13 52.37 3k1q s LEU 194 Cb 0.00 -1.92 0.14 0.00 0.50 0.00 0.00 46.19 44.92 3k1q s LEU 194 CO 0.00 -0.43 0.77 -0.76 -1.32 0.00 0.00 176.35 174.60 3k1q s LEU 195 N 1.39 5.80 0.42 -0.68 1.02 -1.26 -4.91 118.68 120.45 3k1q s LEU 195 Ca 0.01 -1.91 0.04 0.00 0.02 0.00 0.00 54.13 52.29 3k1q s LEU 195 Cb -0.21 -2.28 0.00 0.00 0.02 0.00 0.00 46.19 43.72 3k1q s LEU 195 CO 0.02 -0.93 0.59 -0.76 0.02 0.00 0.00 176.35 175.29 3k1q s LEU 196 N 1.89 3.72 -0.10 1.79 1.43 -1.26 0.18 118.68 126.33 3k1q s LEU 196 Ca 0.16 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 3k1q s LEU 196 Cb -0.18 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 3k1q s LEU 196 CO -0.01 -0.67 -0.20 0.54 0.23 0.00 0.00 176.35 176.24 3k1q s VAL 197 N -2.41 2.46 -0.39 -1.59 0.11 -1.26 -1.39 120.40 115.94 3k1q s VAL 197 Ca 0.49 -0.88 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 3k1q s VAL 197 Cb -0.10 -1.97 0.11 0.00 -1.53 0.00 0.00 36.38 32.89 3k1q s VAL 197 CO 0.35 0.55 0.13 -1.38 -3.33 0.00 0.00 175.10 171.41 3k1q s HIS 198 N 0.22 3.21 -0.35 1.54 -3.43 -0.98 -4.66 115.29 110.84 3k1q s HIS 198 Ca -0.12 -2.84 -0.28 0.00 -0.80 0.00 0.00 55.06 51.02 3k1q s HIS 198 Cb -0.16 -2.66 -0.03 0.00 -1.43 0.00 0.00 32.58 28.29 3k1q s HIS 198 CO 0.07 -0.87 2.02 0.34 -2.00 0.00 0.00 174.74 174.29 3k1q s ASP 199 N 0.64 5.49 -1.18 7.38 -1.08 -1.25 -1.38 116.67 125.31 3k1q s ASP 199 Ca 0.13 1.35 -0.22 0.00 -0.52 0.00 0.00 52.55 53.29 3k1q s ASP 199 Cb -0.21 -2.52 -0.04 0.00 -1.46 0.00 0.00 42.92 38.69 3k1q s ASP 199 CO -0.07 -2.02 1.88 0.42 0.52 0.00 0.00 175.17 175.89 3k1q s THR 200 N 8.28 3.67 0.59 1.71 -4.23 0.18 -4.86 115.64 120.98 3k1q s THR 200 Ca 0.87 -1.08 0.31 0.00 -1.18 0.00 0.00 61.69 60.61 3k1q s THR 200 Cb -0.24 -4.67 0.44 0.00 1.34 0.00 0.00 72.50 69.37 3k1q s THR 200 CO 0.32 -1.25 1.50 0.45 -0.54 0.00 0.00 174.62 175.10 3k1q h HIS 201 N 9.41 0.00 -2.72 3.99 3.86 -1.85 -3.33 115.15 124.51 3k1q h HIS 201 Ca 0.25 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.17 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 1.26 0.00 -0.61 0.00 0.86 0.00 0.00 177.93 179.44 3k1q s ALA 202 N -4.56 -0.28 -0.70 2.45 0.00 -1.24 -1.35 121.76 116.09 3k1q s ALA 202 Ca -0.03 0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.23 3k1q s ALA 202 Cb 0.16 -1.15 0.18 0.00 0.00 0.00 0.00 23.12 22.32 3k1q s ALA 202 CO 0.56 -0.96 0.62 -1.58 0.00 0.00 0.00 175.76 174.39 3k1q s HIS 203 N 2.33 3.56 0.10 0.00 2.46 0.11 -4.53 115.29 119.32 3k1q s HIS 203 Ca 0.05 -1.88 0.00 0.00 0.47 0.00 0.00 55.06 53.70 3k1q s HIS 203 Cb -0.14 -3.71 0.00 0.00 -0.13 0.00 0.00 32.58 28.59 3k1q s HIS 203 CO -0.10 -0.98 0.00 0.00 -2.47 0.00 0.00 174.74 171.19 3k1q n ALA 204 N 4.34 0.00 -1.45 1.58 0.00 -1.26 -1.41 120.51 122.30 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 -2.52 0.00 0.51 0.00 -2.24 -1.26 -4.52 114.28 104.25 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 -1.68 0.42 0.00 -2.10 0.00 0.00 70.33 66.97 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 -1.48 1.00 0.00 6.98 0.00 -1.85 -3.47 119.26 120.44 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 -2.38 0.00 0.07 0.00 0.24 -1.13 -3.73 118.33 111.41 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 0.58 0.00 -1.47 0.00 0.00 33.84 33.32 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 0.94 -0.74 3.34 3.04 -1.82 -3.21 116.25 117.80 3k1q h VAL 208 Ca 0.00 -0.07 0.15 0.00 -1.01 0.00 0.00 66.70 65.77 3k1q h VAL 208 Cb 0.00 0.72 -0.10 0.00 -2.01 0.00 0.00 31.29 29.90 3k1q h VAL 208 CO 0.00 0.04 0.25 0.00 -1.01 0.00 0.00 177.57 176.85 3k1q h ALA 209 N 1.82 1.01 0.13 3.17 0.00 -1.64 0.49 119.26 124.24 3k1q h ALA 209 Ca 0.15 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3k1q h ALA 209 Cb 0.33 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3k1q h ALA 209 CO -0.03 -0.27 -0.06 1.15 0.00 0.00 0.00 179.25 180.04 3k1q h THR 210 N 0.37 1.00 -0.81 0.00 2.02 -1.03 -2.85 112.91 111.60 3k1q h THR 210 Ca 0.41 -1.18 0.20 0.00 0.77 0.00 0.00 66.41 66.61 3k1q h THR 210 Cb 0.66 1.66 -0.14 0.00 -1.74 0.00 0.00 68.15 68.59 3k1q h THR 210 CO -0.44 0.25 0.06 0.00 0.37 0.00 0.00 175.52 175.76 3k1q h ALA 211 N -0.12 0.94 0.54 6.16 0.00 -1.55 0.34 119.26 125.57 3k1q h ALA 211 Ca -0.02 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3k1q h ALA 211 Cb 0.55 0.41 0.01 0.00 0.00 0.00 0.00 17.79 18.76 3k1q h ALA 211 CO 0.03 -0.44 -0.26 0.00 0.00 0.00 0.00 179.25 178.58 3k1q h ALA 212 N 1.76 -0.72 -0.82 0.00 0.00 -0.13 -3.20 119.26 116.14 3k1q h ALA 212 Ca 0.47 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.38 3k1q h ALA 212 Cb 0.86 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3k1q h ALA 212 CO -0.69 -0.70 0.55 1.79 0.00 0.00 0.00 179.25 180.20 3k1q h THR 213 N -1.14 0.72 -1.00 0.00 1.35 -1.18 -1.56 112.91 110.11 3k1q h THR 213 Ca -0.07 -0.12 0.26 0.00 -0.55 0.00 0.00 66.41 65.93 3k1q h THR 213 Cb 0.59 0.34 -0.06 0.00 -1.73 0.00 0.00 68.15 67.29 3k1q h THR 213 CO 0.12 0.06 0.68 -0.09 -0.25 0.00 0.00 175.52 176.05 3k1q h ARG 214 N 0.35 0.21 0.00 4.72 2.43 -0.94 -2.26 114.38 118.89 3k1q h ARG 214 Ca 0.41 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 3k1q h ARG 214 Cb 1.07 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3k1q h ARG 214 CO -0.13 0.14 0.00 0.00 -1.51 0.00 0.00 179.97 178.47 3k1q h ALA 215 N 1.56 1.00 0.00 2.80 0.00 -1.34 0.21 119.26 123.50 3k1q h ALA 215 Ca 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 3k1q h ALA 215 Cb 1.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 3k1q h ALA 215 CO -0.13 0.00 -0.09 -0.84 0.00 0.00 0.00 179.25 178.18 3k1q h ILE 216 N 0.00 0.36 0.07 0.00 -0.00 -1.55 -1.96 117.51 114.43 3k1q h ILE 216 Ca 0.00 -0.54 0.02 0.00 -0.00 0.00 0.00 64.86 64.33 3k1q h ILE 216 Cb 0.24 1.40 -0.03 0.00 -0.00 0.00 0.00 36.82 38.42 3k1q h ILE 216 CO 0.00 0.09 -0.20 0.25 -0.00 0.00 0.00 178.15 178.29 3k1q h LEU 217 N 0.00 -0.57 -0.49 0.16 6.46 -0.73 -0.81 115.31 119.34 3k1q h LEU 217 Ca -0.00 0.07 0.09 0.00 -0.12 0.00 0.00 57.88 57.93 3k1q h LEU 217 Cb 0.39 0.22 -0.08 0.00 -0.73 0.00 0.00 40.66 40.46 3k1q h LEU 217 CO 0.01 -0.28 -0.02 0.24 -0.62 0.00 0.00 178.44 177.77 3k1q h MET 218 N -0.36 0.09 0.00 1.25 2.86 -1.54 -1.56 114.93 115.68 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 0.40 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3k1q h MET 218 CO -0.14 0.06 0.00 0.72 1.06 0.00 0.00 176.91 178.61 3k1q n HIS 219 N -5.25 0.00 -0.38 -0.22 8.25 -0.92 -2.86 115.22 113.84 3k1q n HIS 219 Ca 0.05 0.00 0.35 0.00 -0.26 0.00 0.00 57.72 57.86 3k1q n HIS 219 Cb 0.26 -0.37 0.69 0.00 1.12 0.00 0.00 29.99 31.70 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 0.13 0.16 0.41 3.32 -0.59 -1.12 116.42 118.74 3k1q h ASP 220 Ca 0.00 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3k1q h ASP 220 Cb 0.00 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3k1q h ASP 220 CO 0.00 -0.00 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.37 3k1q h LEU 221 N 0.10 -0.18 0.00 1.55 3.38 -1.15 -1.92 115.31 117.08 3k1q h LEU 221 Ca 0.65 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3k1q h LEU 221 Cb 2.31 0.05 0.00 0.00 0.09 0.00 0.00 40.66 43.11 3k1q h LEU 221 CO -0.12 0.36 -0.37 0.18 0.09 0.00 0.00 178.44 178.57 3k1q n LEU 222 N -4.93 0.40 -0.04 1.67 4.77 -0.92 -1.12 117.00 116.83 3k1q n LEU 222 Ca -0.08 0.17 -0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3k1q n LEU 222 Cb 0.27 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3k1q n LEU 222 CO 0.26 0.06 0.00 0.74 -1.33 0.00 0.00 177.39 177.13 3k1q h THR 223 N 0.00 0.00 -1.69 -5.08 2.02 -1.38 -3.44 112.91 103.35 3k1q h THR 223 Ca 0.00 -0.82 -0.66 0.00 0.77 0.00 0.00 66.41 65.70 3k1q h THR 223 Cb 0.53 0.00 -0.36 0.00 -1.74 0.00 0.00 68.15 66.58 3k1q h THR 223 CO 0.00 0.00 -0.02 -0.24 0.37 0.00 0.00 175.52 175.63 3k1q n SER 224 N -4.30 5.84 0.00 4.18 2.88 -0.72 -4.97 113.62 116.53 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 0.00 -0.70 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 -0.51 0.00 -3.27 -1.46 0.00 -0.27 -4.67 120.51 110.33 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 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.35 -0.66 0.00 0.01 -1.18 -4.70 114.94 108.06 3k1q s ASN 226 Ca 0.00 0.58 -0.26 0.00 -0.71 0.00 0.00 52.86 52.47 3k1q s ASN 226 Cb 0.00 0.64 -0.04 0.00 0.41 0.00 0.00 41.25 42.26 3k1q s ASN 226 CO 0.00 -0.22 2.02 0.00 -1.51 0.00 0.00 177.10 177.38 3k1q s ALA 227 N -0.23 1.87 -0.46 0.60 0.00 -1.25 -4.62 121.76 117.67 3k1q s ALA 227 Ca -0.04 -0.70 -0.28 0.00 0.00 0.00 0.00 51.96 50.95 3k1q s ALA 227 Cb -0.03 -4.38 -0.00 0.00 0.00 0.00 0.00 23.12 18.70 3k1q s ALA 227 CO 0.02 -4.32 1.63 0.34 0.00 0.00 0.00 175.76 173.43 3k1q s ASP 228 N 9.06 5.92 0.00 0.00 2.15 -1.26 -4.49 116.67 128.05 3k1q s ASP 228 Ca 0.75 0.75 0.00 0.00 0.43 0.00 0.00 52.55 54.48 3k1q s ASP 228 Cb -0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 3k1q s ASP 228 CO 0.17 -1.79 0.00 0.47 -0.17 0.00 0.00 175.17 173.85 3k1q n ASP 229 N 10.30 0.00 0.00 -0.34 9.92 -1.26 -4.90 116.55 130.26 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 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 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 0.48 0.42 0.44 0.00 -1.26 -0.99 105.19 104.28 3k1q n GLY 230 Ca 0.00 0.75 0.23 0.00 0.00 0.00 0.00 46.02 47.00 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 0.24 -1.00 1.61 -0.00 -1.93 0.42 115.15 114.50 3k1q h HIS 231 Ca 0.00 0.01 0.24 0.00 -0.00 0.00 0.00 60.37 60.61 3k1q h HIS 231 Cb 0.00 -0.07 -0.09 0.00 -0.00 0.00 0.00 27.41 27.25 3k1q h HIS 231 CO 0.00 0.06 0.64 0.37 -0.00 0.00 0.00 177.93 179.00 3k1q h GLN 232 N 0.18 0.46 0.07 5.26 -0.00 -1.47 0.35 115.11 119.96 3k1q h GLN 232 Ca 0.42 -0.03 -0.26 0.00 -0.00 0.00 0.00 58.65 58.78 3k1q h GLN 232 Cb 1.36 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 28.72 3k1q h GLN 232 CO -0.08 0.30 -1.37 0.00 0.00 0.00 0.00 178.83 177.68 3k1q h ALA 233 N 1.63 0.24 -0.57 3.38 0.00 -1.65 -3.41 119.26 118.88 3k1q h ALA 233 Ca 0.57 -1.14 0.16 0.00 0.00 0.00 0.00 54.91 54.50 3k1q h ALA 233 Cb 1.31 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 3k1q h ALA 233 CO -0.29 0.82 0.41 0.00 0.00 0.00 0.00 179.25 180.18 3k1q h ARG 234 N -0.51 0.00 0.92 0.00 3.08 0.39 -2.29 114.38 115.98 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 1.61 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.67 3k1q h ARG 234 CO -0.03 0.00 -0.44 0.66 -1.07 0.00 0.00 179.97 179.09 3k1q h SER 235 N 0.00 -1.05 0.43 7.04 4.64 -0.54 -1.59 113.55 122.48 3k1q h SER 235 Ca 0.27 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 3k1q h SER 235 Cb 1.09 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3k1q h SER 235 CO -0.00 -0.72 -0.21 0.00 -0.87 0.00 0.00 176.83 175.02 3k1q h ALA 236 N -1.25 -0.58 -0.94 5.18 0.00 -1.80 -3.38 119.26 116.48 3k1q h ALA 236 Ca -0.13 -0.14 0.35 0.00 0.00 0.00 0.00 54.91 54.99 3k1q h ALA 236 Cb 0.95 0.23 -0.17 0.00 0.00 0.00 0.00 17.79 18.80 3k1q h ALA 236 CO 0.21 -0.80 0.36 0.00 0.00 0.00 0.00 179.25 179.02 3k1q s TYR 238 N -5.58 2.93 -0.00 0.00 1.51 -0.61 -5.07 117.35 110.54 3k1q s TYR 238 Ca -0.10 -1.03 -0.01 0.00 -1.01 0.00 0.00 57.07 54.93 3k1q s TYR 238 Cb 0.31 -2.08 -0.00 0.00 -0.11 0.00 0.00 41.96 40.08 3k1q s TYR 238 CO 0.73 -0.58 0.02 0.41 -1.11 0.00 0.00 175.55 175.02 3k1q n GLY 239 N 4.76 -0.00 3.68 0.71 0.00 -1.26 -2.39 105.19 110.67 3k1q n GLY 239 Ca -0.19 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 0.01 4.21 -0.41 1.61 0.04 -1.26 -2.02 135.00 137.18 3k1q s PRO 240 Ca 0.02 2.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.96 3k1q s PRO 240 Cb -0.02 -3.77 -0.00 0.00 0.04 0.00 0.00 34.50 30.75 3k1q s PRO 240 CO 0.01 -0.75 1.57 0.00 0.04 0.00 0.00 177.00 177.87 3k1q s ALA 241 N 3.22 2.92 -0.08 8.56 0.00 -1.21 -2.83 121.76 132.33 3k1q s ALA 241 Ca 0.71 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.61 3k1q s ALA 241 Cb -0.35 -4.00 0.01 0.00 0.00 0.00 0.00 23.12 18.78 3k1q s ALA 241 CO 0.30 -2.60 -0.16 0.12 0.00 0.00 0.00 175.76 173.42 3k1q s PHE 242 N 6.16 1.81 0.59 0.00 5.36 -1.26 -5.04 117.98 125.60 3k1q s PHE 242 Ca 0.67 -0.72 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 3k1q s PHE 242 Cb -0.16 -1.28 0.00 0.00 -0.34 0.00 0.00 43.02 41.24 3k1q s PHE 242 CO 0.32 -0.34 0.00 0.27 -1.46 0.00 0.00 175.22 174.01 3k1q n ASN 243 N 3.78 -7.43 0.00 6.13 6.94 -1.26 -4.56 115.26 118.86 3k1q n ASN 243 Ca -0.21 1.38 0.00 0.00 -0.02 0.00 0.00 54.58 55.73 3k1q n ASN 243 Cb 0.52 -4.71 0.00 0.00 -2.36 0.00 0.00 39.78 33.23 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 -4.22 0.00 -3.83 0.53 6.94 -1.26 -4.85 115.26 108.57 3k1q n ASN 244 Ca -0.09 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.19 3k1q n ASN 244 Cb 0.65 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.11 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 -2.14 -2.77 -3.74 -4.53 4.32 -1.26 -5.03 117.00 101.84 3k1q n LEU 245 Ca 0.00 -0.76 -0.26 0.00 -0.02 0.00 0.00 56.01 54.97 3k1q n LEU 245 Cb 0.00 -2.64 -0.17 0.00 -1.62 0.00 0.00 43.42 38.99 3k1q n LEU 245 CO 0.00 0.48 -0.37 -0.89 -1.22 0.00 0.00 177.39 175.39 3k1q s THR 246 N -3.38 0.45 0.00 -5.08 2.01 -1.23 -4.95 115.64 103.47 3k1q s THR 246 Ca 0.52 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.17 3k1q s THR 246 Cb -0.26 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.39 3k1q s THR 246 CO 0.81 -0.08 0.00 0.49 -0.69 0.00 0.00 174.62 175.16 3k1q n PHE 247 N 5.09 0.00 -3.93 4.92 3.01 -1.13 -4.89 117.46 120.53 3k1q n PHE 247 Ca -0.08 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.28 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 -0.01 0.00 4.37 0.00 -0.46 -3.72 121.76 121.94 3k1q s ALA 248 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 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 -0.21 0.00 0.00 0.00 -0.00 -1.26 -0.71 115.22 113.04 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 -0.50 -4.76 113.62 116.26 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 0.17 0.44 -2.24 -1.26 -2.17 114.28 109.22 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 0.09 1.46 0.00 0.00 0.00 -1.67 -0.58 119.26 118.56 3k1q h ALA 254 Ca -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3k1q h ALA 254 Cb 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3k1q h ALA 254 CO 0.07 0.07 -0.12 0.77 0.00 0.00 0.00 179.25 180.04 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 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3k1q h SER 255 CO 0.01 0.12 0.00 0.47 -1.14 0.00 0.00 176.83 176.28 3k1q n ASP 256 N -4.11 0.00 0.00 3.07 9.92 -0.75 -4.41 116.55 120.27 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 -2.38 0.00 -0.09 -1.24 0.00 -0.30 -2.15 117.12 110.96 3k1q n MET 257 Ca 0.00 0.72 0.03 0.00 -0.00 0.00 0.00 57.70 58.45 3k1q n MET 257 Cb 0.00 -1.36 0.36 0.00 0.00 0.00 0.00 33.22 32.22 3k1q n MET 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3k1q h ALA 258 N -1.49 1.64 0.76 -5.12 0.00 -1.66 0.29 119.26 113.69 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 -0.21 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 0.00 179.25 180.45 3k1q h HIS 259 N 0.71 -0.95 -0.08 0.00 6.17 -1.41 -2.68 115.15 116.91 3k1q h HIS 259 Ca 0.21 -0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.20 3k1q h HIS 259 Cb -0.02 0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.22 3k1q h HIS 259 CO -0.00 -0.58 -0.23 0.74 0.71 0.00 0.00 177.93 178.58 3k1q h PHE 260 N -1.23 0.37 0.00 5.26 -1.00 -1.29 -3.33 116.94 115.74 3k1q h PHE 260 Ca -0.10 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 60.53 3k1q h PHE 260 Cb 0.80 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.29 3k1q h PHE 260 CO -0.00 0.84 0.00 -0.25 -1.61 0.00 0.00 178.31 177.29 3k1q n ASP 261 N -4.51 0.00 -0.24 2.17 8.00 0.10 -1.12 116.55 120.95 3k1q n ASP 261 Ca -0.08 -1.02 -0.08 0.00 0.71 0.00 0.00 54.79 54.32 3k1q n ASP 261 Cb 0.44 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 -0.69 0.07 4.05 0.00 0.00 -0.70 -0.60 105.19 107.31 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 -1.50 0.00 0.00 1.61 7.27 -0.28 -2.29 117.38 122.19 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 -0.10 1.69 5.41 -1.22 -4.70 119.36 120.45 3k1q n ILE 265 Ca 0.00 0.04 0.09 0.00 1.00 0.00 0.00 62.75 63.88 3k1q n ILE 265 Cb 0.00 -0.31 0.44 0.00 -0.71 0.00 0.00 39.64 39.06 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 0.98 0.00 1.39 2.07 -1.45 -3.45 116.25 115.79 3k1q h VAL 266 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3k1q h VAL 266 Cb 0.00 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 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 -1.49 1.16 3.54 2.17 0.00 -0.97 -4.85 105.19 104.75 3k1q n GLY 267 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 2.99 -0.06 0.99 1.43 -1.26 -0.02 118.68 122.75 3k1q s LEU 268 Ca 0.00 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3k1q s LEU 268 Cb 0.00 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.58 3k1q s LEU 268 CO 0.00 0.33 -0.00 -0.62 0.23 0.00 0.00 176.35 176.28 3k1q s ASP 269 N -1.00 1.23 0.11 2.29 -1.08 0.28 -5.02 116.67 113.47 3k1q s ASP 269 Ca 0.14 -0.07 0.09 0.00 -0.52 0.00 0.00 52.55 52.18 3k1q s ASP 269 Cb -0.11 -0.38 -0.04 0.00 -1.46 0.00 0.00 42.92 40.93 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 1.61 2.31 -0.06 -1.34 1.02 -1.17 -0.69 118.68 120.35 3k1q s LEU 270 Ca -0.01 -0.70 0.02 0.00 0.02 0.00 0.00 54.13 53.46 3k1q s LEU 270 Cb -0.13 -0.92 0.01 0.00 0.02 0.00 0.00 46.19 45.17 3k1q s LEU 270 CO -0.03 0.07 -0.11 -2.28 0.02 0.00 0.00 176.35 174.01 3k1q s HIS 271 N -1.18 1.38 -0.59 0.29 2.46 -0.09 -4.81 115.29 112.75 3k1q s HIS 271 Ca 0.08 -0.49 0.07 0.00 0.47 0.00 0.00 55.06 55.18 3k1q s HIS 271 Cb -0.10 -1.02 -0.01 0.00 -0.13 0.00 0.00 32.58 31.32 3k1q s HIS 271 CO 0.05 -0.26 0.49 1.33 -2.47 0.00 0.00 174.74 173.87 3k1q n VAL 272 N 3.81 0.00 -3.28 0.89 0.24 -0.98 0.20 118.33 119.21 3k1q n VAL 272 Ca -0.23 -0.42 -0.38 0.00 -2.04 0.00 0.00 64.34 61.27 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 -1.16 4.24 -0.54 7.34 8.01 -1.21 0.71 118.70 136.09 3k1q s GLU 273 Ca 0.05 0.65 -0.31 0.00 0.01 0.00 0.00 54.97 55.37 3k1q s GLU 273 Cb 0.06 -3.32 -0.12 0.00 -4.31 0.00 0.00 34.13 26.44 3k1q s GLU 273 CO 0.19 0.44 2.39 -0.35 0.01 0.00 0.00 175.26 177.94 3k1q n PRO 274 N 2.52 0.87 0.00 0.39 -0.04 -1.26 -3.83 135.00 133.65 3k1q n PRO 274 Ca -0.09 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3k1q n PRO 274 Cb 0.51 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 12.27 0.00 0.00 3.54 3.41 -1.26 -4.99 113.62 126.58 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 0.31 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3k1q n SER 275 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35