#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k0l n GLU 13 N 0.00 0.21 -4.53 5.31 2.13 -1.26 -4.82 120.64 117.68 3k0l n GLU 13 Ca 0.00 0.05 -0.31 0.00 0.66 0.00 0.00 57.16 57.56 3k0l n GLU 13 Cb 0.00 -1.62 -0.11 0.00 0.27 0.00 0.00 31.44 29.97 3k0l n GLU 13 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3k0l s GLU 14 N -3.13 2.25 0.71 5.31 0.41 -1.26 -3.85 118.70 119.13 3k0l s GLU 14 Ca 0.07 -0.90 -0.12 0.00 -0.41 0.00 0.00 54.97 53.62 3k0l s GLU 14 Cb 0.15 -2.31 0.02 0.00 -1.78 0.00 0.00 34.13 30.20 3k0l s GLU 14 CO 0.73 0.56 1.08 -1.25 -0.49 0.00 0.00 175.26 175.88 3k0l s PRO 15 N -1.54 2.73 0.47 0.39 0.04 -1.26 -5.12 135.00 130.71 3k0l s PRO 15 Ca 0.16 1.11 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 3k0l s PRO 15 Cb -0.11 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 3k0l s PRO 15 CO 0.07 -1.27 1.08 1.03 0.04 0.00 0.00 177.00 177.94 3k0l s ARG 16 N -4.76 3.81 0.22 4.56 1.81 -1.25 -4.94 118.95 118.40 3k0l s ARG 16 Ca 0.61 1.50 -0.09 0.00 -1.72 0.00 0.00 55.73 56.03 3k0l s ARG 16 Cb -0.16 -2.24 0.35 0.00 -0.45 0.00 0.00 34.95 32.45 3k0l s ARG 16 CO 0.51 -0.45 1.68 1.25 -0.68 0.00 0.00 175.30 177.62 3k0l h LEU 17 N 1.80 -0.11 -0.97 2.53 5.85 -2.00 -1.25 115.31 121.16 3k0l h LEU 17 Ca -0.49 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 3k0l h LEU 17 Cb 1.23 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 3k0l h LEU 17 CO 0.60 -0.06 0.13 0.77 -0.34 0.00 0.00 178.44 179.54 3k0l h SER 18 N 0.20 0.82 0.00 1.25 4.64 -2.00 -1.08 113.55 117.38 3k0l h SER 18 Ca 0.35 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3k0l h SER 18 Cb 0.56 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3k0l h SER 18 CO -0.49 0.81 0.00 0.00 -0.87 0.00 0.00 176.83 176.28 3k0l n TYR 19 N -4.26 0.00 0.00 4.77 9.36 -0.47 -2.90 117.16 123.66 3k0l n TYR 19 Ca 0.04 -0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 3k0l n TYR 19 Cb 0.24 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.91 3k0l n TYR 19 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3k0l n ILE 21 N 0.65 0.00 -0.16 2.97 5.41 -0.41 -2.10 119.36 125.72 3k0l n ILE 21 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 3k0l n ILE 21 Cb 0.01 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 38.95 3k0l n ILE 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k0l h ALA 22 N 0.00 0.61 -0.30 -1.39 0.00 -1.81 -2.26 119.26 114.10 3k0l h ALA 22 Ca 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3k0l h ALA 22 Cb 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 3k0l h ALA 22 CO 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 179.25 179.21 3k0l h ARG 23 N 0.62 -0.15 -0.23 0.00 3.08 -1.73 -1.86 114.38 114.12 3k0l h ARG 23 Ca 0.16 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 3k0l h ARG 23 Cb 0.08 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3k0l h ARG 23 CO -0.02 -0.10 -0.04 0.28 -1.07 0.00 0.00 179.97 179.02 3k0l h VAL 24 N -0.15 1.28 -0.81 2.04 2.07 -1.85 -2.84 116.25 115.98 3k0l h VAL 24 Ca 0.16 -1.01 0.17 0.00 0.82 0.00 0.00 66.70 66.84 3k0l h VAL 24 Cb 0.40 1.48 -0.11 0.00 -1.52 0.00 0.00 31.29 31.54 3k0l h VAL 24 CO -0.39 0.31 0.34 -0.78 0.02 0.00 0.00 177.57 177.06 3k0l h ASP 25 N 0.17 0.30 -0.46 0.57 3.58 -1.29 0.40 116.42 119.70 3k0l h ASP 25 Ca 0.06 0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.53 3k0l h ASP 25 Cb 0.48 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 3k0l h ASP 25 CO 0.02 0.08 -0.13 0.03 -2.88 0.00 0.00 179.24 176.36 3k0l h ARG 26 N 0.44 0.90 -0.54 0.28 2.47 -1.14 -1.81 114.38 114.98 3k0l h ARG 26 Ca 0.47 -0.35 -0.09 0.00 -1.26 0.00 0.00 59.98 58.75 3k0l h ARG 26 Cb 0.77 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 3k0l h ARG 26 CO -0.45 1.00 0.00 0.82 0.56 0.00 0.00 179.97 181.91 3k0l h ILE 27 N 0.74 1.26 -0.22 2.04 2.04 -1.12 -1.81 117.51 120.45 3k0l h ILE 27 Ca 0.11 -1.10 0.03 0.00 1.00 0.00 0.00 64.86 64.90 3k0l h ILE 27 Cb 0.68 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3k0l h ILE 27 CO 0.05 0.39 0.05 0.40 0.00 0.00 0.00 178.15 179.04 3k0l h ILE 28 N 0.83 0.90 -0.66 -0.67 2.04 -0.86 -0.13 117.51 118.97 3k0l h ILE 28 Ca 0.15 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 66.04 3k0l h ILE 28 Cb 0.53 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 3k0l h ILE 28 CO 0.03 0.03 0.34 0.28 0.00 0.00 0.00 178.15 178.82 3k0l h SER 29 N 0.14 0.46 -0.83 1.72 0.02 -1.21 0.13 113.55 113.98 3k0l h SER 29 Ca 0.10 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3k0l h SER 29 Cb 0.09 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 3k0l h SER 29 CO -0.13 0.29 0.42 0.11 -1.14 0.00 0.00 176.83 176.38 3k0l h LYS 30 N 0.60 1.19 -0.08 3.45 1.57 -0.68 0.76 116.57 123.39 3k0l h LYS 30 Ca 0.31 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3k0l h LYS 30 Cb 0.26 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3k0l h LYS 30 CO -0.22 0.90 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.61 3k0l h TYR 31 N 1.18 0.17 -0.44 -1.35 3.20 -0.24 -2.72 116.97 116.77 3k0l h TYR 31 Ca 0.29 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 3k0l h TYR 31 Cb 0.08 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3k0l h TYR 31 CO 0.01 0.50 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.87 3k0l h LEU 32 N -0.20 0.84 -0.47 2.82 3.38 -0.62 -2.29 115.31 118.77 3k0l h LEU 32 Ca 0.02 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.72 3k0l h LEU 32 Cb 0.45 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 3k0l h LEU 32 CO 0.01 1.00 0.02 0.74 0.09 0.00 0.00 178.44 180.30 3k0l h THR 33 N 0.67 0.66 -0.19 0.22 2.02 -0.86 -1.14 112.91 114.30 3k0l h THR 33 Ca 0.11 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3k0l h THR 33 Cb 0.62 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3k0l h THR 33 CO 0.04 0.03 0.12 -0.33 0.37 0.00 0.00 175.52 175.74 3k0l h GLU 34 N 0.14 0.25 -0.16 6.66 4.39 -1.20 -2.90 114.58 121.76 3k0l h GLU 34 Ca 0.24 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.75 3k0l h GLU 34 Cb 0.34 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3k0l h GLU 34 CO -0.37 0.19 -0.61 0.45 -1.16 0.00 0.00 179.01 177.52 3k0l h HIS 35 N 0.23 0.68 0.00 4.33 3.86 -1.18 -3.23 115.15 119.84 3k0l h HIS 35 Ca 0.07 -0.26 -0.10 0.00 -1.16 0.00 0.00 60.37 58.92 3k0l h HIS 35 Cb 0.00 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3k0l h HIS 35 CO -0.06 1.00 -0.48 -0.07 0.86 0.00 0.00 177.93 179.19 3k0l h LEU 36 N 0.40 0.00 -0.83 2.43 3.38 -1.20 -3.10 115.31 116.39 3k0l h LEU 36 Ca -0.01 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 3k0l h LEU 36 Cb 1.17 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 3k0l h LEU 36 CO 0.11 0.48 -0.11 -1.28 0.09 0.00 0.00 178.44 177.73 3k0l h SER 37 N 0.00 -0.60 0.49 -0.43 0.87 -1.53 0.42 113.55 112.77 3k0l h SER 37 Ca -0.00 0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3k0l h SER 37 Cb 0.90 0.46 -0.00 0.00 -0.44 0.00 0.00 62.40 63.31 3k0l h SER 37 CO 0.06 -0.26 -0.03 0.00 -0.53 0.00 0.00 176.83 176.07 3k0l h ALA 38 N 1.82 1.07 -0.01 6.23 0.00 -1.73 0.14 119.26 126.78 3k0l h ALA 38 Ca 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3k0l h ALA 38 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3k0l h ALA 38 CO -0.81 0.04 -0.07 1.28 0.00 0.00 0.00 179.25 179.69 3k0l n LEU 39 N -3.23 1.37 -3.68 0.00 4.77 0.14 -4.95 117.00 111.43 3k0l n LEU 39 Ca -0.01 -0.43 -0.22 0.00 -0.03 0.00 0.00 56.01 55.31 3k0l n LEU 39 Cb 0.20 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3k0l n LEU 39 CO 0.25 0.24 0.02 -0.62 -1.33 0.00 0.00 177.39 175.94 3k0l n GLU 40 N -0.05 -5.55 -3.85 3.23 1.02 0.50 -5.00 120.64 110.93 3k0l n GLU 40 Ca 0.17 0.67 -0.12 0.00 -0.02 0.00 0.00 57.16 57.86 3k0l n GLU 40 Cb 0.36 -5.41 -0.14 0.00 -0.02 0.00 0.00 31.44 26.23 3k0l n GLU 40 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3k0l s ILE 41 N -3.53 -0.00 0.62 -3.67 2.07 -1.18 -5.05 121.20 110.45 3k0l s ILE 41 Ca 0.15 0.01 -0.12 0.00 -1.41 0.00 0.00 60.65 59.28 3k0l s ILE 41 Cb -0.07 -0.08 -0.04 0.00 0.13 0.00 0.00 42.46 42.41 3k0l s ILE 41 CO 0.79 0.00 1.03 -0.94 -1.91 0.00 0.00 174.94 173.92 3k0l s SER 42 N 0.09 6.06 0.17 4.50 1.04 -1.26 -4.09 113.70 120.21 3k0l s SER 42 Ca -0.01 1.53 -0.16 0.00 0.48 0.00 0.00 55.95 57.79 3k0l s SER 42 Cb -0.01 -2.49 0.12 0.00 0.10 0.00 0.00 66.02 63.74 3k0l s SER 42 CO -0.00 -0.98 1.67 0.25 0.98 0.00 0.00 173.24 175.16 3k0l h LEU 43 N -0.13 -0.33 -0.82 2.42 5.85 -1.91 -0.97 115.31 119.42 3k0l h LEU 43 Ca -0.45 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.43 3k0l h LEU 43 Cb 1.20 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.41 3k0l h LEU 43 CO 0.60 -0.12 0.52 -0.65 -0.34 0.00 0.00 178.44 178.46 3k0l h PRO 44 N 0.03 0.98 -0.72 5.25 0.11 -1.94 0.13 132.00 135.85 3k0l h PRO 44 Ca 0.21 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 3k0l h PRO 44 Cb 0.31 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 3k0l h PRO 44 CO -0.41 0.65 0.26 1.96 -0.21 0.00 0.00 178.00 180.25 3k0l h GLN 45 N 1.01 1.09 -0.05 1.05 4.20 -1.89 -1.68 115.11 118.85 3k0l h GLN 45 Ca 0.33 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3k0l h GLN 45 Cb 0.02 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 3k0l h GLN 45 CO -0.12 0.92 -0.00 0.35 -0.67 0.00 0.00 178.83 179.30 3k0l h PHE 46 N 1.04 0.09 -0.42 2.96 3.57 -0.53 -1.25 116.94 122.40 3k0l h PHE 46 Ca 0.24 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.81 3k0l h PHE 46 Cb 0.25 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.88 3k0l h PHE 46 CO 0.02 0.39 -0.19 1.15 -2.23 0.00 0.00 178.31 177.44 3k0l h THR 47 N -0.23 0.41 -0.58 4.41 2.02 -0.94 -0.04 112.91 117.96 3k0l h THR 47 Ca 0.01 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 3k0l h THR 47 Cb 0.35 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3k0l h THR 47 CO 0.00 0.00 0.03 0.00 0.37 0.00 0.00 175.52 175.93 3k0l h ALA 48 N 1.18 0.96 -0.74 6.16 0.00 -1.21 0.95 119.26 126.57 3k0l h ALA 48 Ca 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3k0l h ALA 48 Cb 0.43 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3k0l h ALA 48 CO -0.49 0.63 0.35 1.25 0.00 0.00 0.00 179.25 181.00 3k0l h LEU 49 N 0.91 0.98 -0.34 0.00 5.85 -0.86 0.19 115.31 122.04 3k0l h LEU 49 Ca 0.17 -0.14 -0.19 0.00 0.84 0.00 0.00 57.88 58.56 3k0l h LEU 49 Cb 0.48 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3k0l h LEU 49 CO 0.02 0.84 -0.77 -1.28 -0.34 0.00 0.00 178.44 176.91 3k0l h SER 50 N 1.05 0.52 -0.28 1.25 0.87 -0.44 -1.18 113.55 115.33 3k0l h SER 50 Ca 0.26 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 3k0l h SER 50 Cb 0.12 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3k0l h SER 50 CO -0.03 1.11 -0.05 0.58 -0.53 0.00 0.00 176.83 177.91 3k0l h VAL 51 N 0.28 1.28 0.00 2.23 2.07 -0.58 -3.04 116.25 118.49 3k0l h VAL 51 Ca -0.04 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 3k0l h VAL 51 Cb 1.37 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3k0l h VAL 51 CO 0.13 0.34 -0.19 -0.07 0.02 0.00 0.00 177.57 177.81 3k0l h LEU 52 N 0.29 0.00 -0.90 2.57 3.38 -0.51 -0.39 115.31 119.75 3k0l h LEU 52 Ca 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3k0l h LEU 52 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3k0l h LEU 52 CO 0.02 0.19 -0.27 0.00 0.09 0.00 0.00 178.44 178.47 3k0l h ALA 53 N 1.81 1.06 0.00 1.53 0.00 -1.10 -2.85 119.26 119.72 3k0l h ALA 53 Ca -0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 54.91 54.31 3k0l h ALA 53 Cb 0.41 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3k0l h ALA 53 CO 0.02 0.57 -1.24 0.00 0.00 0.00 0.00 179.25 178.61 3k0l h ALA 54 N 1.28 0.50 -2.14 0.00 0.00 -1.40 -3.43 119.26 114.07 3k0l h ALA 54 Ca 0.06 -1.10 -0.51 0.00 0.00 0.00 0.00 54.91 53.36 3k0l h ALA 54 Cb 0.70 0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.21 3k0l h ALA 54 CO 0.05 1.36 -0.88 0.15 0.00 0.00 0.00 179.25 179.93 3k0l s LYS 55 N -2.67 0.89 0.00 0.00 1.02 -0.20 -5.00 119.74 113.78 3k0l s LYS 55 Ca -0.01 -1.84 0.17 0.00 0.02 0.00 0.00 55.97 54.31 3k0l s LYS 55 Cb 0.09 -1.16 0.88 0.00 -0.52 0.00 0.00 37.83 37.13 3k0l s LYS 55 CO 0.82 -1.36 1.47 -2.30 -0.92 0.00 0.00 175.35 173.06 3k0l n PRO 56 N 3.00 0.31 -0.11 -1.68 -0.02 -1.09 -3.20 135.00 132.21 3k0l n PRO 56 Ca 0.26 0.10 0.05 0.00 -2.02 0.00 0.00 63.50 61.89 3k0l n PRO 56 Cb 0.48 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.57 3k0l n PRO 56 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3k0l n ASN 57 N -1.22 2.50 -4.74 2.55 4.13 -1.26 -2.70 115.26 114.52 3k0l n ASN 57 Ca 0.09 -1.81 -0.42 0.00 1.68 0.00 0.00 54.58 54.12 3k0l n ASN 57 Cb 0.11 -0.14 -0.02 0.00 -1.54 0.00 0.00 39.78 38.20 3k0l n ASN 57 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3k0l n LEU 58 N 0.44 4.25 -4.75 3.41 4.77 -1.19 -5.01 117.00 118.92 3k0l n LEU 58 Ca 0.09 1.12 -0.32 0.00 -0.03 0.00 0.00 56.01 56.87 3k0l n LEU 58 Cb 0.35 -1.59 0.09 0.00 -2.33 0.00 0.00 43.42 39.95 3k0l n LEU 58 CO 0.07 0.16 0.71 -0.94 -1.33 0.00 0.00 177.39 176.06 3k0l s SER 59 N 0.69 4.40 0.50 -1.43 1.04 -1.26 -4.79 113.70 112.85 3k0l s SER 59 Ca 0.67 1.94 0.31 0.00 0.48 0.00 0.00 55.95 59.35 3k0l s SER 59 Cb -0.50 -2.54 1.41 0.00 0.10 0.00 0.00 66.02 64.50 3k0l s SER 59 CO 0.44 -2.10 1.80 0.78 0.98 0.00 0.00 173.24 175.14 3k0l h ASN 60 N -0.92 0.13 -0.02 7.02 4.21 -1.98 -0.29 115.58 123.74 3k0l h ASN 60 Ca -0.44 0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.05 3k0l h ASN 60 Cb 1.24 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 3k0l h ASN 60 CO 0.50 0.02 -0.13 0.00 -1.29 0.00 0.00 177.43 176.53 3k0l h ALA 61 N 1.49 0.05 0.00 -0.83 0.00 -1.91 -1.68 119.26 116.38 3k0l h ALA 61 Ca 0.56 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3k0l h ALA 61 Cb 1.99 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 3k0l h ALA 61 CO -0.10 -0.02 -0.37 0.87 0.00 0.00 0.00 179.25 179.63 3k0l h LYS 62 N -0.49 0.00 0.03 0.00 6.56 -1.75 -2.78 116.57 118.14 3k0l h LYS 62 Ca -0.01 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3k0l h LYS 62 Cb 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 3k0l h LYS 62 CO 0.03 0.37 -0.01 1.25 -2.06 0.00 0.00 179.45 179.03 3k0l h LEU 63 N 0.00 -0.03 -1.33 2.94 5.85 -1.01 -1.98 115.31 119.75 3k0l h LEU 63 Ca -0.00 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.44 3k0l h LEU 63 Cb 0.74 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3k0l h LEU 63 CO 0.05 0.27 0.45 0.00 -0.34 0.00 0.00 178.44 178.87 3k0l h ALA 64 N 0.63 1.53 -0.23 1.25 0.00 -1.20 0.74 119.26 121.97 3k0l h ALA 64 Ca -0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3k0l h ALA 64 Cb 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3k0l h ALA 64 CO 0.01 0.44 -0.16 1.49 0.00 0.00 0.00 179.25 181.03 3k0l h GLU 65 N 0.91 0.51 0.00 0.00 4.81 -1.37 -0.62 114.58 118.82 3k0l h GLU 65 Ca 0.25 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3k0l h GLU 65 Cb -0.09 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3k0l h GLU 65 CO -0.06 0.81 0.00 0.54 -0.73 0.00 0.00 179.01 179.57 3k0l n ARG 66 N -4.46 0.05 0.00 1.92 1.74 -0.75 -2.90 116.66 112.25 3k0l n ARG 66 Ca -0.05 0.08 0.10 0.00 -0.77 0.00 0.00 57.85 57.21 3k0l n ARG 66 Cb 0.37 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 3k0l n ARG 66 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3k0l n SER 67 N -1.65 1.50 -2.76 0.55 7.64 0.22 -4.91 113.62 114.22 3k0l n SER 67 Ca 0.06 -1.25 -0.18 0.00 1.01 0.00 0.00 58.87 58.51 3k0l n SER 67 Cb 0.33 0.69 0.05 0.00 -1.01 0.00 0.00 64.21 64.27 3k0l n SER 67 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3k0l n PHE 68 N -0.62 -2.05 -4.42 1.43 3.72 -0.41 -4.79 117.46 110.32 3k0l n PHE 68 Ca 0.06 0.68 -0.22 0.00 -0.05 0.00 0.00 57.45 57.93 3k0l n PHE 68 Cb 0.38 -4.02 -0.10 0.00 -0.94 0.00 0.00 39.48 34.80 3k0l n PHE 68 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3k0l s ILE 69 N -3.19 2.19 0.28 4.37 -4.36 -0.38 -5.05 121.20 115.06 3k0l s ILE 69 Ca 0.40 -2.32 -0.30 0.00 -0.26 0.00 0.00 60.65 58.17 3k0l s ILE 69 Cb -0.17 -2.19 -0.11 0.00 1.25 0.00 0.00 42.46 41.23 3k0l s ILE 69 CO 0.49 -0.46 1.57 -0.54 0.24 0.00 0.00 174.94 176.24 3k0l s LYS 70 N -3.53 4.15 0.60 0.37 1.02 -1.26 -4.41 119.74 116.68 3k0l s LYS 70 Ca 0.27 2.53 0.29 0.00 0.02 0.00 0.00 55.97 59.08 3k0l s LYS 70 Cb -0.04 -3.04 1.62 0.00 -0.52 0.00 0.00 37.83 35.85 3k0l s LYS 70 CO 0.12 -0.60 2.03 -1.35 -0.92 0.00 0.00 175.35 174.63 3k0l h PRO 71 N 4.97 0.00 0.00 -1.68 0.11 -1.92 0.66 132.00 134.15 3k0l h PRO 71 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3k0l h PRO 71 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3k0l h PRO 71 CO 0.80 0.00 -0.25 1.96 -0.21 0.00 0.00 178.00 180.30 3k0l h GLN 72 N 0.00 0.00 -0.00 1.05 7.50 -1.96 -3.13 115.11 118.57 3k0l h GLN 72 Ca 0.12 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.27 3k0l h GLN 72 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.22 3k0l h GLN 72 CO -0.00 0.25 -0.16 0.43 -1.50 0.00 0.00 178.83 177.85 3k0l n SER 73 N -3.34 0.64 -0.11 1.46 7.64 0.23 -4.30 113.62 115.83 3k0l n SER 73 Ca 0.01 -0.65 -0.09 0.00 1.01 0.00 0.00 58.87 59.15 3k0l n SER 73 Cb 0.48 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.65 3k0l n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k0l h ALA 74 N 3.62 0.45 -0.68 -0.43 0.00 -1.49 -2.09 119.26 118.64 3k0l h ALA 74 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3k0l h ALA 74 Cb 0.41 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3k0l h ALA 74 CO 0.00 -0.01 0.39 -0.91 0.00 0.00 0.00 179.25 178.71 3k0l h ASN 75 N 0.44 0.59 -0.22 0.00 2.35 -1.82 -2.21 115.58 114.71 3k0l h ASN 75 Ca 0.12 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 3k0l h ASN 75 Cb 0.07 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3k0l h ASN 75 CO -0.02 0.39 -0.16 0.50 -1.65 0.00 0.00 177.43 176.49 3k0l h LYS 76 N 0.73 0.65 -0.37 0.81 1.63 -1.74 -0.60 116.57 117.68 3k0l h LYS 76 Ca 0.30 -0.22 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 3k0l h LYS 76 Cb 0.15 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3k0l h LYS 76 CO -0.17 0.78 -0.07 0.82 -3.45 0.00 0.00 179.45 177.36 3k0l h ILE 77 N 0.58 1.27 -0.21 2.00 1.08 -1.16 -1.01 117.51 120.08 3k0l h ILE 77 Ca 0.10 -1.12 0.03 0.00 -0.39 0.00 0.00 64.86 63.47 3k0l h ILE 77 Cb 0.60 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 3k0l h ILE 77 CO 0.04 0.37 0.01 -0.07 -0.69 0.00 0.00 178.15 177.81 3k0l h LEU 78 N 0.50 -0.06 -0.90 1.44 3.38 -1.12 -1.88 115.31 116.68 3k0l h LEU 78 Ca 0.10 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.21 3k0l h LEU 78 Cb 0.57 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 3k0l h LEU 78 CO 0.03 0.00 0.54 -0.61 0.09 0.00 0.00 178.44 178.49 3k0l h GLN 79 N 0.08 0.85 -0.62 1.13 4.15 -0.92 0.40 115.11 120.17 3k0l h GLN 79 Ca 0.10 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 3k0l h GLN 79 Cb 0.11 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 3k0l h GLN 79 CO -0.15 0.56 0.25 -0.44 -1.93 0.00 0.00 178.83 177.11 3k0l h ASP 80 N 0.87 0.86 -0.24 -0.69 3.32 -0.84 0.48 116.42 120.19 3k0l h ASP 80 Ca 0.44 -0.17 -0.19 0.00 0.02 0.00 0.00 57.03 57.13 3k0l h ASP 80 Cb 0.42 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3k0l h ASP 80 CO -0.26 0.80 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.43 3k0l h LEU 81 N 0.87 0.93 -0.10 1.55 3.38 -0.60 -1.52 115.31 119.82 3k0l h LEU 81 Ca 0.21 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3k0l h LEU 81 Cb 0.21 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3k0l h LEU 81 CO -0.02 1.30 0.06 -0.07 0.09 0.00 0.00 178.44 179.80 3k0l h LEU 82 N 0.64 0.12 -1.08 1.67 3.38 -0.88 -0.40 115.31 118.75 3k0l h LEU 82 Ca 0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3k0l h LEU 82 Cb 1.16 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3k0l h LEU 82 CO 0.12 0.11 0.04 0.00 0.09 0.00 0.00 178.44 178.80 3k0l h ALA 83 N 1.02 1.25 0.00 1.53 0.00 -0.77 0.31 119.26 122.59 3k0l h ALA 83 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3k0l h ALA 83 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3k0l h ALA 83 CO -0.01 0.51 0.00 0.09 0.00 0.00 0.00 179.25 179.84 3k0l n ASN 84 N -4.26 0.00 -0.64 0.00 3.02 -0.58 -4.91 115.26 107.89 3k0l n ASN 84 Ca 0.02 0.18 -0.07 0.00 -0.03 0.00 0.00 54.58 54.68 3k0l n ASN 84 Cb 0.26 -0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 39.03 3k0l n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k0l n GLY 85 N 0.75 0.73 0.12 7.41 0.00 0.10 -4.90 105.19 109.40 3k0l n GLY 85 Ca 0.09 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.52 3k0l n GLY 85 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3k0l h TRP 86 N 0.00 0.00 -3.93 1.61 6.55 -1.32 -3.37 115.95 115.49 3k0l h TRP 86 Ca -0.16 0.00 -0.25 0.00 0.95 0.00 0.00 58.89 59.43 3k0l h TRP 86 Cb 0.64 0.00 -0.15 0.00 -0.86 0.00 0.00 29.16 28.80 3k0l h TRP 86 CO 0.21 0.12 -0.66 0.96 -1.05 0.00 0.00 178.44 178.01 3k0l s ILE 87 N -3.26 0.54 0.03 1.49 -4.36 -1.17 -1.35 121.20 113.12 3k0l s ILE 87 Ca -0.00 -1.95 0.02 0.00 -0.26 0.00 0.00 60.65 58.45 3k0l s ILE 87 Cb 0.09 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 3k0l s ILE 87 CO 0.78 -0.53 -0.07 -1.61 0.24 0.00 0.00 174.94 173.75 3k0l s GLU 88 N -3.94 0.50 0.14 0.37 2.02 0.13 -4.40 118.70 113.52 3k0l s GLU 88 Ca 0.22 -0.57 -0.13 0.00 0.02 0.00 0.00 54.97 54.51 3k0l s GLU 88 Cb 0.06 -0.34 -0.07 0.00 0.10 0.00 0.00 34.13 33.89 3k0l s GLU 88 CO 0.02 0.07 0.51 0.15 0.02 0.00 0.00 175.26 176.04 3k0l s LYS 89 N -1.10 3.90 0.03 1.61 -0.14 -1.26 -0.42 119.74 122.36 3k0l s LYS 89 Ca -0.06 0.38 -0.14 0.00 -1.36 0.00 0.00 55.97 54.80 3k0l s LYS 89 Cb -0.07 -2.91 0.02 0.00 -1.68 0.00 0.00 37.83 33.19 3k0l s LYS 89 CO 0.00 0.48 0.30 0.00 -0.76 0.00 0.00 175.35 175.37 3k0l s ALA 90 N -1.50 -0.69 0.50 5.17 0.00 0.69 -4.92 121.76 121.01 3k0l s ALA 90 Ca 0.38 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 52.17 3k0l s ALA 90 Cb -0.14 0.27 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 3k0l s ALA 90 CO 0.19 -0.38 1.30 -2.14 0.00 0.00 0.00 175.76 174.73 3k0l s PRO 91 N -2.29 3.45 -0.46 0.00 0.02 -1.26 0.89 135.00 135.35 3k0l s PRO 91 Ca -0.07 2.10 -0.11 0.00 0.02 0.00 0.00 61.00 62.94 3k0l s PRO 91 Cb -0.02 -2.38 0.10 0.00 0.02 0.00 0.00 34.50 32.22 3k0l s PRO 91 CO -0.02 -0.90 0.33 0.34 -0.33 0.00 0.00 177.00 176.43 3k0l s ASP 92 N -1.03 5.78 0.48 2.53 -1.08 0.20 -4.42 116.67 119.13 3k0l s ASP 92 Ca 0.67 -1.64 0.31 0.00 -0.52 0.00 0.00 52.55 51.37 3k0l s ASP 92 Cb -0.37 -2.04 1.26 0.00 -1.46 0.00 0.00 42.92 40.31 3k0l s ASP 92 CO 0.44 -0.64 1.92 -0.65 0.52 0.00 0.00 175.17 176.76 3k0l h PRO 93 N 8.52 0.00 -7.16 4.34 0.11 -1.86 -3.40 132.00 132.56 3k0l h PRO 93 Ca -0.24 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.36 3k0l h PRO 93 Cb 1.08 0.00 0.21 0.00 0.11 0.00 0.00 31.00 32.40 3k0l h PRO 93 CO 0.84 0.00 0.03 0.25 -0.21 0.00 0.00 178.00 178.90 3k0l n THR 94 N -2.88 0.00 -3.62 -1.15 -2.24 -1.26 -4.95 114.28 98.17 3k0l n THR 94 Ca 0.01 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.34 3k0l n THR 94 Cb 0.29 -0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 67.53 3k0l n THR 94 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3k0l s HIS 95 N -2.57 3.55 0.00 4.78 3.76 -1.26 -3.88 115.29 119.68 3k0l s HIS 95 Ca 0.65 0.65 0.00 0.00 -0.15 0.00 0.00 55.06 56.21 3k0l s HIS 95 Cb -0.23 -2.23 0.00 0.00 1.11 0.00 0.00 32.58 31.23 3k0l s HIS 95 CO 0.61 0.44 0.00 0.41 -0.85 0.00 0.00 174.74 175.35 3k0l n GLY 96 N 2.73 3.03 3.65 -2.22 0.00 -1.26 -5.04 105.19 106.08 3k0l n GLY 96 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3k0l n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k0l s ARG 97 N -0.11 2.60 -0.18 1.61 0.52 -1.25 -5.04 118.95 117.09 3k0l s ARG 97 Ca 0.00 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 3k0l s ARG 97 Cb 0.00 -2.55 -0.13 0.00 0.52 0.00 0.00 34.95 32.78 3k0l s ARG 97 CO 0.00 0.58 -0.14 0.54 0.02 0.00 0.00 175.30 176.31 3k0l n ARG 98 N 1.14 0.62 -4.06 3.54 5.12 -1.26 -4.56 116.66 117.20 3k0l n ARG 98 Ca -0.14 0.09 -0.29 0.00 -1.93 0.00 0.00 57.85 55.59 3k0l n ARG 98 Cb 0.52 -1.38 -0.17 0.00 -1.16 0.00 0.00 32.46 30.28 3k0l n ARG 98 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3k0l s ILE 99 N -2.37 1.42 -0.13 0.55 -1.09 -1.26 0.58 121.20 118.90 3k0l s ILE 99 Ca -0.23 -0.55 -0.06 0.00 -2.23 0.00 0.00 60.65 57.58 3k0l s ILE 99 Cb 0.06 -1.35 -0.04 0.00 -1.58 0.00 0.00 42.46 39.55 3k0l s ILE 99 CO 0.46 0.43 0.10 -0.22 -1.23 0.00 0.00 174.94 174.48 3k0l s LEU 100 N 1.46 4.16 0.02 2.97 2.96 0.26 -4.77 118.68 125.74 3k0l s LEU 100 Ca 0.03 0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 54.09 3k0l s LEU 100 Cb -0.13 -2.01 -0.06 0.00 0.50 0.00 0.00 46.19 44.49 3k0l s LEU 100 CO -0.09 0.36 0.56 -0.69 -1.32 0.00 0.00 176.35 175.18 3k0l s VAL 101 N -0.74 4.86 -0.09 1.68 1.01 -1.10 -0.22 120.40 125.80 3k0l s VAL 101 Ca 0.13 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.32 3k0l s VAL 101 Cb -0.12 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.38 3k0l s VAL 101 CO 0.03 0.48 -0.15 0.42 0.00 0.00 0.00 175.10 175.88 3k0l s THR 102 N -0.59 1.40 -0.17 3.92 -4.23 0.44 -4.75 115.64 111.65 3k0l s THR 102 Ca 0.29 -0.61 -0.29 0.00 -1.18 0.00 0.00 61.69 59.90 3k0l s THR 102 Cb -0.18 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.36 3k0l s THR 102 CO 0.17 0.42 1.45 -0.69 -0.54 0.00 0.00 174.62 175.43 3k0l s VAL 103 N 0.78 3.95 0.79 2.29 1.01 -1.26 0.17 120.40 128.12 3k0l s VAL 103 Ca -0.11 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 3k0l s VAL 103 Cb -0.16 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.47 3k0l s VAL 103 CO 0.02 -0.21 1.10 0.42 0.00 0.00 0.00 175.10 176.43 3k0l s THR 104 N 4.19 3.09 0.41 3.92 -4.23 -0.46 -4.73 115.64 117.83 3k0l s THR 104 Ca 0.64 0.35 0.16 0.00 -1.18 0.00 0.00 61.69 61.66 3k0l s THR 104 Cb -0.24 -3.15 0.37 0.00 1.34 0.00 0.00 72.50 70.82 3k0l s THR 104 CO 0.23 -0.46 1.86 -0.65 -0.54 0.00 0.00 174.62 175.06 3k0l h PRO 105 N -1.02 0.44 -0.14 3.99 0.11 -1.90 0.46 132.00 133.94 3k0l h PRO 105 Ca -0.47 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 3k0l h PRO 105 Cb 1.27 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3k0l h PRO 105 CO 0.60 0.29 -0.64 1.03 -0.21 0.00 0.00 178.00 179.07 3k0l h SER 106 N 0.45 0.59 -0.71 -2.05 0.87 -1.89 -1.47 113.55 109.34 3k0l h SER 106 Ca 0.46 -0.35 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 3k0l h SER 106 Cb 1.09 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.84 3k0l h SER 106 CO -0.18 1.08 0.27 1.23 -0.53 0.00 0.00 176.83 178.69 3k0l h GLY 107 N 1.10 1.15 1.34 5.77 0.00 -0.98 -0.84 103.07 110.62 3k0l h GLY 107 Ca -0.01 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.53 3k0l h GLY 107 CO 0.12 0.60 -0.40 1.41 0.00 0.00 0.00 176.54 178.27 3k0l h LEU 108 N 1.02 0.77 -0.11 3.11 3.38 -0.06 -0.81 115.31 122.62 3k0l h LEU 108 Ca 0.23 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3k0l h LEU 108 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3k0l h LEU 108 CO -0.02 1.08 0.04 -0.78 0.09 0.00 0.00 178.44 178.85 3k0l h ASP 109 N 0.59 0.04 -0.65 -0.43 3.58 -1.18 -0.59 116.42 117.79 3k0l h ASP 109 Ca 0.05 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.54 3k0l h ASP 109 Cb 0.94 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.96 3k0l h ASP 109 CO 0.09 0.04 0.40 0.50 -2.88 0.00 0.00 179.24 177.39 3k0l h LYS 110 N 0.09 0.76 -0.70 0.28 1.63 -0.99 -0.70 116.57 116.94 3k0l h LYS 110 Ca 0.04 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 3k0l h LYS 110 Cb 0.02 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 3k0l h LYS 110 CO -0.05 0.50 0.36 1.25 -3.45 0.00 0.00 179.45 178.07 3k0l h LEU 111 N 0.78 0.87 -1.16 5.20 5.85 -0.83 -0.14 115.31 125.88 3k0l h LEU 111 Ca 0.27 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3k0l h LEU 111 Cb 0.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3k0l h LEU 111 CO -0.11 0.71 -0.21 -1.13 -0.34 0.00 0.00 178.44 177.36 3k0l h ASN 112 N 0.97 0.32 -0.45 1.25 -1.24 -0.14 0.32 115.58 116.61 3k0l h ASN 112 Ca 0.24 -0.09 -0.13 0.00 0.71 0.00 0.00 56.30 57.04 3k0l h ASN 112 Cb 0.05 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 3k0l h ASN 112 CO -0.04 0.54 -0.22 1.56 -1.29 0.00 0.00 177.43 177.99 3k0l h GLN 113 N 0.30 0.94 -0.31 6.67 4.20 0.39 -2.78 115.11 124.51 3k0l h GLN 113 Ca 0.05 -0.41 -0.17 0.00 0.06 0.00 0.00 58.65 58.18 3k0l h GLN 113 Cb 0.54 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 3k0l h GLN 113 CO 0.04 1.07 -0.46 0.00 -0.67 0.00 0.00 178.83 178.81 3k0l h ASN 115 N 0.66 0.00 0.16 0.00 2.35 -0.94 -0.16 115.58 117.63 3k0l h ASN 115 Ca 0.04 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.65 3k0l h ASN 115 Cb 1.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 3k0l h ASN 115 CO 0.10 0.04 -0.50 1.56 -1.65 0.00 0.00 177.43 176.98 3k0l h GLN 116 N 0.00 0.39 -0.18 0.81 1.08 -1.28 -0.96 115.11 114.97 3k0l h GLN 116 Ca -0.00 -0.23 -0.03 0.00 -1.45 0.00 0.00 58.65 56.94 3k0l h GLN 116 Cb 0.07 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3k0l h GLN 116 CO 0.01 0.81 -0.00 0.28 -0.95 0.00 0.00 178.83 178.97 3k0l h VAL 117 N 0.31 1.26 -0.75 -0.54 2.07 -1.10 -2.35 116.25 115.14 3k0l h VAL 117 Ca 0.01 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 66.76 3k0l h VAL 117 Cb 1.00 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 3k0l h VAL 117 CO 0.09 0.26 0.40 0.58 0.02 0.00 0.00 177.57 178.92 3k0l h VAL 118 N 0.07 0.87 -0.11 2.57 2.07 -1.01 -0.65 116.25 120.07 3k0l h VAL 118 Ca 0.05 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 3k0l h VAL 118 Cb 0.39 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3k0l h VAL 118 CO 0.01 0.12 -0.25 1.56 0.02 0.00 0.00 177.57 179.04 3k0l h GLN 119 N 0.67 0.19 -0.24 1.57 4.20 -1.09 0.31 115.11 120.72 3k0l h GLN 119 Ca 0.37 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.83 3k0l h GLN 119 Cb 0.37 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3k0l h GLN 119 CO -0.26 0.43 -0.60 1.96 -0.67 0.00 0.00 178.83 179.69 3k0l h GLN 120 N 0.17 0.83 -0.26 1.46 4.20 -0.75 -0.63 115.11 120.14 3k0l h GLN 120 Ca 0.03 -0.57 0.03 0.00 0.06 0.00 0.00 58.65 58.20 3k0l h GLN 120 Cb 0.54 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 3k0l h GLN 120 CO 0.04 1.20 0.07 1.25 -0.67 0.00 0.00 178.83 180.71 3k0l h LEU 121 N 0.60 0.05 -0.57 1.46 5.85 -0.73 -1.63 115.31 120.33 3k0l h LEU 121 Ca -0.01 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 3k0l h LEU 121 Cb 1.22 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3k0l h LEU 121 CO 0.13 0.06 -0.38 -0.33 -0.34 0.00 0.00 178.44 177.58 3k0l h GLU 122 N 0.17 0.73 -0.29 1.25 5.08 -0.84 -2.89 114.58 117.79 3k0l h GLU 122 Ca 0.12 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3k0l h GLU 122 Cb 0.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3k0l h GLU 122 CO -0.14 0.98 0.08 0.00 -1.00 0.00 0.00 179.01 178.93 3k0l h ALA 123 N 0.98 0.32 0.00 3.43 0.00 -0.93 0.27 119.26 123.33 3k0l h ALA 123 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3k0l h ALA 123 Cb 0.91 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3k0l h ALA 123 CO 0.08 -0.32 0.00 0.94 0.00 0.00 0.00 179.25 179.95 3k0l n GLN 124 N -5.05 0.21 0.00 0.00 7.27 -0.63 -3.42 117.38 115.75 3k0l n GLN 124 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3k0l n GLN 124 Cb 0.11 -1.10 0.00 0.00 2.41 0.00 0.00 30.24 31.66 3k0l n GLN 124 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3k0l n LEU 126 N 0.36 0.00 -4.68 1.69 4.77 0.08 -4.95 117.00 114.27 3k0l n LEU 126 Ca 0.00 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.53 3k0l n LEU 126 Cb 0.05 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 3k0l n LEU 126 CO 0.00 0.00 1.32 0.00 -1.33 0.00 0.00 177.39 177.38 3k0l n GLN 127 N 0.00 2.35 -2.02 3.23 6.02 -1.22 -1.21 117.38 124.53 3k0l n GLN 127 Ca 0.00 0.85 -0.14 0.00 -0.01 0.00 0.00 57.00 57.71 3k0l n GLN 127 Cb 0.00 -2.67 -0.02 0.00 1.02 0.00 0.00 30.24 28.57 3k0l n GLN 127 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k0l n GLY 128 N 3.80 0.26 3.15 1.08 0.00 -1.26 -5.03 105.19 107.20 3k0l n GLY 128 Ca 0.18 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3k0l n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k0l s VAL 129 N -2.63 1.98 0.13 1.61 1.01 -0.35 -5.09 120.40 117.05 3k0l s VAL 129 Ca 0.00 -0.93 -0.35 0.00 0.00 0.00 0.00 61.98 60.70 3k0l s VAL 129 Cb 0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 36.38 34.47 3k0l s VAL 129 CO 0.00 0.53 1.38 -0.67 0.00 0.00 0.00 175.10 176.35 3k0l n ASP 130 N 4.13 2.04 0.12 3.32 4.64 -1.26 -4.86 116.55 124.69 3k0l n ASP 130 Ca -0.20 1.11 0.16 0.00 -1.38 0.00 0.00 54.79 54.48 3k0l n ASP 130 Cb 0.51 -1.27 0.70 0.00 -1.04 0.00 0.00 41.12 40.03 3k0l n ASP 130 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 3k0l h ILE 131 N 3.30 0.77 0.00 5.18 6.09 -1.98 -1.72 117.51 129.14 3k0l h ILE 131 Ca -0.46 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 62.90 3k0l h ILE 131 Cb 1.31 0.84 -0.02 0.00 0.47 0.00 0.00 36.82 39.43 3k0l h ILE 131 CO 0.79 0.00 -0.60 0.78 -3.07 0.00 0.00 178.15 176.06 3k0l h ASN 132 N 0.00 0.00 -0.24 2.19 2.35 -2.00 -2.25 115.58 115.63 3k0l h ASN 132 Ca 0.14 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 3k0l h ASN 132 Cb 0.58 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3k0l h ASN 132 CO -0.00 0.60 -0.12 0.25 -1.65 0.00 0.00 177.43 176.50 3k0l h LEU 133 N 0.00 0.53 -0.90 1.61 5.85 -1.70 -0.95 115.31 119.75 3k0l h LEU 133 Ca -0.01 -0.41 0.13 0.00 0.84 0.00 0.00 57.88 58.43 3k0l h LEU 133 Cb 1.11 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 3k0l h LEU 133 CO 0.08 0.83 0.52 0.00 -0.34 0.00 0.00 178.44 179.52 3k0l h ALA 134 N 0.72 1.36 -0.10 1.25 0.00 -1.10 0.13 119.26 121.52 3k0l h ALA 134 Ca 0.05 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 3k0l h ALA 134 Cb 0.63 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3k0l h ALA 134 CO 0.04 0.06 -0.79 0.74 0.00 0.00 0.00 179.25 179.29 3k0l h PHE 135 N 0.79 0.99 -0.76 0.00 0.04 -1.40 -1.76 116.94 114.84 3k0l h PHE 135 Ca 0.47 -0.47 0.09 0.00 2.80 0.00 0.00 57.97 60.86 3k0l h PHE 135 Cb 0.55 -0.14 -0.07 0.00 2.20 0.00 0.00 35.95 38.49 3k0l h PHE 135 CO -0.05 1.29 0.42 1.25 -0.60 0.00 0.00 178.31 180.63 3k0l h LEU 136 N 0.41 0.60 -0.09 1.54 5.85 -0.50 -1.05 115.31 122.06 3k0l h LEU 136 Ca -0.07 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3k0l h LEU 136 Cb 1.43 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 3k0l h LEU 136 CO 0.16 0.35 0.01 0.40 -0.34 0.00 0.00 178.44 179.03 3k0l h ILE 137 N 0.73 1.23 -0.62 4.05 2.04 -0.69 -1.36 117.51 122.89 3k0l h ILE 137 Ca 0.36 -0.70 0.13 0.00 1.00 0.00 0.00 64.86 65.65 3k0l h ILE 137 Cb 0.32 1.52 -0.10 0.00 -0.74 0.00 0.00 36.82 37.82 3k0l h ILE 137 CO -0.24 0.20 0.06 -0.09 0.00 0.00 0.00 178.15 178.08 3k0l h ARG 138 N -0.09 0.17 -0.64 2.37 1.12 -1.00 0.19 114.38 116.49 3k0l h ARG 138 Ca 0.03 -0.01 -0.06 0.00 -1.11 0.00 0.00 59.98 58.82 3k0l h ARG 138 Cb 0.30 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.20 3k0l h ARG 138 CO 0.00 0.11 0.15 -0.91 -3.11 0.00 0.00 179.97 176.21 3k0l h ASN 139 N 0.17 0.98 0.10 -3.80 2.35 -0.95 -2.59 115.58 111.84 3k0l h ASN 139 Ca 0.33 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 3k0l h ASN 139 Cb 0.52 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3k0l h ASN 139 CO -0.48 0.96 -0.40 0.78 -1.65 0.00 0.00 177.43 176.64 3k0l h ASN 140 N 0.95 0.41 -0.77 5.81 2.35 -0.84 -2.60 115.58 120.89 3k0l h ASN 140 Ca 0.20 -0.18 0.10 0.00 -0.55 0.00 0.00 56.30 55.87 3k0l h ASN 140 Cb 0.37 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.55 3k0l h ASN 140 CO 0.00 0.77 0.41 -0.07 -1.65 0.00 0.00 177.43 176.89 3k0l h LEU 141 N 0.33 0.55 -1.07 1.61 3.38 -0.71 -2.63 115.31 116.76 3k0l h LEU 141 Ca 0.03 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3k0l h LEU 141 Cb 0.85 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3k0l h LEU 141 CO 0.07 0.30 0.18 -0.33 0.09 0.00 0.00 178.44 178.75 3k0l h GLU 142 N 0.67 0.84 -1.69 1.13 5.08 -1.29 -1.89 114.58 117.44 3k0l h GLU 142 Ca 0.38 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3k0l h GLU 142 Cb 0.40 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3k0l h GLU 142 CO -0.27 0.72 0.00 -0.11 -1.00 0.00 0.00 179.01 178.35 3k0l n LEU 143 N -4.30 0.82 0.00 1.33 7.94 -0.99 -1.83 117.00 119.98 3k0l n LEU 143 Ca 0.04 -0.41 0.00 0.00 -1.11 0.00 0.00 56.01 54.53 3k0l n LEU 143 Cb 0.20 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.01 3k0l n LEU 143 CO 0.39 0.14 0.00 0.52 -1.11 0.00 0.00 177.39 177.33 3k0l n VAL 145 N 0.85 0.00 -0.27 1.96 0.31 -0.71 -0.14 118.33 120.33 3k0l n VAL 145 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 3k0l n VAL 145 Cb 0.14 0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.28 3k0l n VAL 145 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3k0l h LYS 146 N 0.00 0.34 -0.18 5.55 1.79 -1.65 -1.74 116.57 120.68 3k0l h LYS 146 Ca 0.00 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 3k0l h LYS 146 Cb 0.00 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 3k0l h LYS 146 CO 0.00 0.22 -0.15 -0.91 -1.08 0.00 0.00 179.45 177.53 3k0l h ASN 147 N 0.35 0.28 -0.58 0.86 2.35 -0.82 -3.10 115.58 114.92 3k0l h ASN 147 Ca 0.45 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 3k0l h ASN 147 Cb 0.78 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3k0l h ASN 147 CO -0.49 0.46 0.00 0.18 -1.65 0.00 0.00 177.43 175.93 3k0l n LEU 148 N -4.24 3.75 -0.18 1.61 4.77 -0.69 -4.43 117.00 117.59 3k0l n LEU 148 Ca -0.00 -1.88 -0.07 0.00 -0.03 0.00 0.00 56.01 54.02 3k0l n LEU 148 Cb 0.30 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3k0l n LEU 148 CO 0.39 0.76 1.02 0.28 -1.33 0.00 0.00 177.39 178.50 3k0l h SER 149 N 3.54 0.67 0.00 -1.43 0.02 -1.38 -3.50 113.55 111.48 3k0l h SER 149 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3k0l h SER 149 Cb 1.07 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3k0l h SER 149 CO 0.11 0.58 0.00 1.07 -1.14 0.00 0.00 176.83 177.45