#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kp3 n ILE 5 N 0.00 0.16 0.01 5.15 2.08 -1.26 -4.09 119.36 121.41 3kp3 n ILE 5 Ca 0.00 -0.35 0.09 0.00 0.56 0.00 0.00 62.75 63.05 3kp3 n ILE 5 Cb 0.00 0.14 0.52 0.00 -0.75 0.00 0.00 39.64 39.55 3kp3 n ILE 5 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3kp3 h GLU 6 N 0.00 0.34 -0.20 0.38 4.81 -2.06 -2.58 114.58 115.26 3kp3 h GLU 6 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kp3 h GLU 6 Cb 0.84 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 3kp3 h GLU 6 CO 0.00 0.22 0.13 0.22 -0.73 0.00 0.00 179.01 178.86 3kp3 h ASP 7 N 0.35 0.24 -0.33 1.04 3.58 -2.02 -2.53 116.42 116.75 3kp3 h ASP 7 Ca 0.19 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.59 3kp3 h ASP 7 Cb 0.30 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 3kp3 h ASP 7 CO -0.04 0.18 0.12 0.45 -2.88 0.00 0.00 179.24 177.06 3kp3 h HIS 8 N 0.27 0.57 -0.06 0.28 3.86 -1.71 -2.86 115.15 115.50 3kp3 h HIS 8 Ca 0.07 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3kp3 h HIS 8 Cb -0.02 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 3kp3 h HIS 8 CO -0.06 0.48 0.00 0.82 0.86 0.00 0.00 177.93 180.03 3kp3 h ILE 9 N 0.56 1.25 -1.00 2.45 2.04 -1.43 -1.01 117.51 120.37 3kp3 h ILE 9 Ca 0.13 -0.76 0.16 0.00 1.00 0.00 0.00 64.86 65.40 3kp3 h ILE 9 Cb 0.18 1.64 -0.10 0.00 -0.74 0.00 0.00 36.82 37.79 3kp3 h ILE 9 CO -0.01 0.21 0.62 0.28 0.00 0.00 0.00 178.15 179.25 3kp3 h SER 10 N -0.18 0.83 0.11 1.72 0.02 -1.30 -1.35 113.55 113.40 3kp3 h SER 10 Ca 0.02 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3kp3 h SER 10 Cb 0.33 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3kp3 h SER 10 CO 0.00 0.35 -0.05 0.15 -1.14 0.00 0.00 176.83 176.14 3kp3 h PHE 11 N 0.85 -0.14 -0.64 3.45 3.57 -1.28 -1.87 116.94 120.89 3kp3 h PHE 11 Ca 0.55 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 62.18 3kp3 h PHE 11 Cb 0.74 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.43 3kp3 h PHE 11 CO -0.01 0.24 0.05 1.25 -2.23 0.00 0.00 178.31 177.61 3kp3 h LEU 12 N -0.54 -0.18 -0.07 0.59 5.85 -0.52 0.67 115.31 121.11 3kp3 h LEU 12 Ca -0.02 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3kp3 h LEU 12 Cb 0.44 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 3kp3 h LEU 12 CO 0.02 -0.08 0.04 -0.33 -0.34 0.00 0.00 178.44 177.75 3kp3 h GLU 13 N 0.16 0.09 -0.41 1.25 5.08 -1.25 -0.12 114.58 119.38 3kp3 h GLU 13 Ca 0.34 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3kp3 h GLU 13 Cb 0.55 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3kp3 h GLU 13 CO -0.51 0.09 0.25 -0.22 -1.00 0.00 0.00 179.01 177.62 3kp3 h LYS 14 N 0.06 0.56 -1.00 2.33 3.64 -0.23 0.39 116.57 122.31 3kp3 h LYS 14 Ca 0.02 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3kp3 h LYS 14 Cb 0.02 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.66 3kp3 h LYS 14 CO -0.00 0.42 0.64 0.35 -2.27 0.00 0.00 179.45 178.59 3kp3 h PHE 15 N 0.54 1.19 0.22 1.91 3.57 0.49 0.39 116.94 125.25 3kp3 h PHE 15 Ca 0.15 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3kp3 h PHE 15 Cb 0.00 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.36 3kp3 h PHE 15 CO -0.03 0.59 -0.11 0.82 -2.23 0.00 0.00 178.31 177.35 3kp3 h ILE 16 N 1.14 0.84 -0.81 1.41 2.04 -0.30 -2.11 117.51 119.72 3kp3 h ILE 16 Ca 0.45 -0.78 0.20 0.00 1.00 0.00 0.00 64.86 65.73 3kp3 h ILE 16 Cb 0.23 1.26 -0.14 0.00 -0.74 0.00 0.00 36.82 37.43 3kp3 h ILE 16 CO -0.19 0.16 0.10 0.78 0.00 0.00 0.00 178.15 179.00 3kp3 h ASN 17 N -0.72 -0.21 -0.17 1.72 -0.26 0.35 0.30 115.58 116.59 3kp3 h ASN 17 Ca -0.03 0.20 -0.07 0.00 -0.56 0.00 0.00 56.30 55.84 3kp3 h ASN 17 Cb 0.49 0.31 -0.02 0.00 -1.06 0.00 0.00 38.32 38.05 3kp3 h ASN 17 CO 0.05 -0.17 -0.10 0.44 -1.06 0.00 0.00 177.43 176.59 3kp3 h ASP 18 N 0.15 0.51 -0.45 5.81 3.45 -0.90 -0.13 116.42 124.86 3kp3 h ASP 18 Ca 0.47 -0.13 -0.07 0.00 0.43 0.00 0.00 57.03 57.74 3kp3 h ASP 18 Cb 0.89 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.51 3kp3 h ASP 18 CO -0.67 0.65 0.01 0.58 -1.57 0.00 0.00 179.24 178.24 3kp3 h VAL 19 N 0.49 1.26 -0.12 -1.35 2.07 0.26 -1.06 116.25 117.80 3kp3 h VAL 19 Ca 0.09 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 3kp3 h VAL 19 Cb 0.47 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3kp3 h VAL 19 CO 0.03 0.35 0.00 0.78 0.02 0.00 0.00 177.57 178.75 3kp3 h ASN 20 N 0.63 0.21 -0.06 0.57 2.35 -0.85 -0.18 115.58 118.25 3kp3 h ASN 20 Ca 0.13 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.61 3kp3 h ASN 20 Cb 0.48 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.73 3kp3 h ASN 20 CO 0.02 0.46 -0.38 0.74 -1.65 0.00 0.00 177.43 176.62 3kp3 h THR 21 N -0.05 0.20 -0.21 2.81 2.02 -0.95 0.10 112.91 116.83 3kp3 h THR 21 Ca 0.03 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.27 3kp3 h THR 21 Cb 0.35 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 3kp3 h THR 21 CO 0.01 0.00 -0.13 0.25 0.37 0.00 0.00 175.52 176.02 3kp3 h LEU 22 N -0.50 -0.42 -0.57 2.58 5.85 -1.06 0.87 115.31 122.05 3kp3 h LEU 22 Ca 0.07 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3kp3 h LEU 22 Cb 0.61 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 3kp3 h LEU 22 CO -0.34 -0.17 0.35 0.74 -0.34 0.00 0.00 178.44 178.69 3kp3 h THR 23 N -0.12 1.16 -0.48 1.05 2.02 -0.69 0.97 112.91 116.82 3kp3 h THR 23 Ca 0.12 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 3kp3 h THR 23 Cb 0.30 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3kp3 h THR 23 CO -0.29 0.16 0.28 0.00 0.37 0.00 0.00 175.52 176.05 3kp3 h ALA 24 N 1.18 1.59 0.04 6.16 0.00 -0.20 -0.72 119.26 127.31 3kp3 h ALA 24 Ca 0.21 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.81 3kp3 h ALA 24 Cb -0.04 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.58 3kp3 h ALA 24 CO -0.04 0.35 -0.98 -0.22 0.00 0.00 0.00 179.25 178.36 3kp3 h LYS 25 N 0.66 0.60 0.00 0.00 1.63 -0.07 -2.93 116.57 116.46 3kp3 h LYS 25 Ca 0.17 -0.70 -0.00 0.00 -0.85 0.00 0.00 60.65 59.28 3kp3 h LYS 25 Cb -0.01 0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3kp3 h LYS 25 CO -0.03 1.29 -0.00 -0.07 -3.45 0.00 0.00 179.45 177.18 3kp3 h LEU 26 N 0.21 0.00 0.00 5.20 3.38 -0.45 -3.23 115.31 120.43 3kp3 h LEU 26 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kp3 h LEU 26 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3kp3 h LEU 26 CO 0.19 0.00 -1.03 0.18 0.09 0.00 0.00 178.44 177.88 3kp3 n LEU 27 N -3.10 0.61 -0.33 1.67 4.77 -0.31 -4.69 117.00 115.62 3kp3 n LEU 27 Ca 0.01 -0.38 -0.06 0.00 -0.03 0.00 0.00 56.01 55.55 3kp3 n LEU 27 Cb 0.37 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3kp3 n LEU 27 CO 0.29 0.15 0.41 1.17 -1.33 0.00 0.00 177.39 178.08 3kp3 n LYS 28 N -1.56 -0.30 0.08 3.23 3.00 -1.11 -0.42 118.16 121.07 3kp3 n LYS 28 Ca 0.02 1.22 -0.03 0.00 -0.00 0.00 0.00 58.31 59.52 3kp3 n LYS 28 Cb 0.31 -1.80 0.21 0.00 0.00 0.00 0.00 35.03 33.74 3kp3 n LYS 28 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3kp3 h ASP 29 N 0.00 0.30 -0.26 3.14 5.19 -1.84 -1.73 116.42 121.22 3kp3 h ASP 29 Ca 0.17 -0.13 -0.09 0.00 -0.62 0.00 0.00 57.03 56.36 3kp3 h ASP 29 Cb 0.38 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 3kp3 h ASP 29 CO -0.77 0.68 -0.20 0.25 -3.12 0.00 0.00 179.24 176.07 3kp3 h LEU 30 N 0.24 0.63 -2.14 1.55 5.85 -1.12 2.28 115.31 122.61 3kp3 h LEU 30 Ca 0.02 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 3kp3 h LEU 30 Cb 0.82 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3kp3 h LEU 30 CO 0.06 0.95 -0.07 1.56 -0.34 0.00 0.00 178.44 180.61 3kp3 h GLN 31 N 0.32 0.00 0.00 1.25 4.20 -0.63 -0.88 115.11 119.38 3kp3 h GLN 31 Ca 0.05 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3kp3 h GLN 31 Cb 0.75 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3kp3 h GLN 31 CO 0.05 0.07 -0.31 1.15 -0.67 0.00 0.00 178.83 179.12 3kp3 h THR 32 N 0.00 1.20 -1.03 -0.54 2.02 -0.37 1.15 112.91 115.34 3kp3 h THR 32 Ca -0.00 -2.01 0.30 0.00 0.77 0.00 0.00 66.41 65.47 3kp3 h THR 32 Cb 0.24 2.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.98 3kp3 h THR 32 CO 0.01 0.41 0.74 -0.08 0.37 0.00 0.00 175.52 176.97 3kp3 h GLU 33 N -1.00 0.00 0.01 6.66 4.81 0.45 0.30 114.58 125.80 3kp3 h GLU 33 Ca -0.08 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.80 3kp3 h GLU 33 Cb 0.88 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.19 3kp3 h GLU 33 CO -0.05 0.00 -2.22 0.66 -0.73 0.00 0.00 179.01 176.68 3kp3 n TYR 34 N -4.22 0.32 -0.35 0.92 4.02 -0.40 -5.04 117.16 112.41 3kp3 n TYR 34 Ca 0.22 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 58.21 3kp3 n TYR 34 Cb 1.09 -1.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 3kp3 n TYR 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kp3 n GLY 35 N 1.80 0.50 3.24 2.72 0.00 0.10 -5.09 105.19 108.46 3kp3 n GLY 35 Ca -0.31 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 3kp3 n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kp3 s ILE 36 N -1.37 0.38 0.25 -0.61 -4.36 0.38 -4.99 121.20 110.87 3kp3 s ILE 36 Ca 0.00 -1.98 0.05 0.00 -0.26 0.00 0.00 60.65 58.47 3kp3 s ILE 36 Cb 0.00 -2.34 -0.03 0.00 1.25 0.00 0.00 42.46 41.34 3kp3 s ILE 36 CO 0.00 -0.23 0.36 -0.94 0.24 0.00 0.00 174.94 174.37 3kp3 s SER 37 N -3.19 6.27 0.28 4.36 1.04 -1.26 -4.34 113.70 116.86 3kp3 s SER 37 Ca 0.31 0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.81 3kp3 s SER 37 Cb 0.07 -1.80 0.62 0.00 0.10 0.00 0.00 66.02 65.01 3kp3 s SER 37 CO 0.08 -0.09 1.78 0.00 0.98 0.00 0.00 173.24 175.99 3kp3 h ALA 38 N 1.17 1.48 -0.04 5.32 0.00 -1.97 0.50 119.26 125.73 3kp3 h ALA 38 Ca -0.51 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.50 3kp3 h ALA 38 Cb 1.23 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 3kp3 h ALA 38 CO 0.60 -0.01 -0.32 0.93 0.00 0.00 0.00 179.25 180.45 3kp3 h GLU 39 N 0.75 -0.43 -0.25 0.00 4.39 -1.99 0.90 114.58 117.94 3kp3 h GLU 39 Ca 0.52 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 60.21 3kp3 h GLU 39 Cb 0.72 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 3kp3 h GLU 39 CO -0.35 -0.29 -0.02 1.96 -1.16 0.00 0.00 179.01 179.15 3kp3 h GLN 40 N -0.45 0.38 -0.14 2.33 4.20 -1.36 -2.42 115.11 117.66 3kp3 h GLN 40 Ca 0.07 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3kp3 h GLN 40 Cb 0.55 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3kp3 h GLN 40 CO -0.29 0.43 -0.49 1.03 -0.67 0.00 0.00 178.83 178.84 3kp3 h SER 41 N 0.37 0.39 0.20 1.46 0.87 0.22 -2.80 113.55 114.26 3kp3 h SER 41 Ca 0.08 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.35 3kp3 h SER 41 Cb 0.28 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3kp3 h SER 41 CO 0.01 0.82 -0.37 -0.74 -0.53 0.00 0.00 176.83 176.02 3kp3 h HIS 42 N 0.29 0.27 -0.39 2.24 6.17 0.12 -2.84 115.15 121.00 3kp3 h HIS 42 Ca 0.01 -0.07 0.01 0.00 0.71 0.00 0.00 60.37 61.04 3kp3 h HIS 42 Cb 0.97 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 30.81 3kp3 h HIS 42 CO 0.03 0.58 0.24 0.28 0.71 0.00 0.00 177.93 179.76 3kp3 h VAL 43 N 0.20 1.05 -0.22 5.26 2.07 -1.28 -2.43 116.25 120.90 3kp3 h VAL 43 Ca 0.02 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3kp3 h VAL 43 Cb 0.75 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3kp3 h VAL 43 CO 0.06 0.09 0.03 -0.07 0.02 0.00 0.00 177.57 177.70 3kp3 h LEU 44 N 0.48 0.29 -0.86 2.57 3.38 -1.38 -2.41 115.31 117.39 3kp3 h LEU 44 Ca 0.15 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3kp3 h LEU 44 Cb -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kp3 h LEU 44 CO -0.06 0.32 -0.48 -1.13 0.09 0.00 0.00 178.44 177.18 3kp3 h ASN 45 N 0.32 0.00 0.03 -0.43 -0.73 -1.30 -0.09 115.58 113.38 3kp3 h ASN 45 Ca 0.08 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.25 3kp3 h ASN 45 Cb 0.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.76 3kp3 h ASN 45 CO 0.00 0.48 -0.01 0.23 -0.37 0.00 0.00 177.43 177.76 3kp3 n MET 46 N -3.65 1.14 0.00 6.67 2.81 -0.92 -2.54 117.12 120.64 3kp3 n MET 46 Ca -0.01 -0.26 0.02 0.00 -1.81 0.00 0.00 57.70 55.65 3kp3 n MET 46 Cb 0.55 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.55 3kp3 n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3kp3 n LEU 47 N -0.70 0.38 0.13 4.03 4.77 -0.75 -3.98 117.00 120.88 3kp3 n LEU 47 Ca 0.22 -0.56 -0.01 0.00 -0.03 0.00 0.00 56.01 55.63 3kp3 n LEU 47 Cb 0.19 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.40 3kp3 n LEU 47 CO 0.18 0.09 0.44 0.77 -1.33 0.00 0.00 177.39 177.54 3kp3 h SER 48 N 0.13 0.00 0.26 -1.43 4.64 -0.75 -3.17 113.55 113.23 3kp3 h SER 48 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3kp3 h SER 48 Cb 0.14 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3kp3 h SER 48 CO 0.00 0.66 -1.61 0.16 -0.87 0.00 0.00 176.83 175.17 3kp3 h ILE 49 N 0.00 1.12 0.00 0.95 3.07 -1.76 -3.50 117.51 117.39 3kp3 h ILE 49 Ca -0.01 -2.64 0.00 0.00 1.55 0.00 0.00 64.86 63.77 3kp3 h ILE 49 Cb 1.24 2.89 0.00 0.00 -0.27 0.00 0.00 36.82 40.68 3kp3 h ILE 49 CO 0.09 0.84 0.00 -1.84 -1.05 0.00 0.00 178.15 176.18 3kp3 n GLU 50 N -3.64 0.00 -4.14 0.16 0.28 -1.20 -5.15 120.64 106.95 3kp3 n GLU 50 Ca -0.20 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.52 3kp3 n GLU 50 Cb 1.09 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.93 3kp3 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kp3 n ALA 51 N -3.00 0.64 0.00 -1.84 0.00 -1.26 -4.34 120.51 110.70 3kp3 n ALA 51 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.27 3kp3 n ALA 51 Cb 0.00 1.03 0.00 0.00 0.00 0.00 0.00 19.45 20.48 3kp3 n ALA 51 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3kp3 n LEU 52 N 0.00 0.00 0.00 0.00 -0.00 -0.95 -4.94 117.00 111.11 3kp3 n LEU 52 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 3kp3 n LEU 52 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 3kp3 n LEU 52 CO 0.35 0.00 0.00 0.35 -0.00 0.00 0.00 177.39 178.09 3kp3 n THR 53 N -0.30 0.00 -0.04 1.47 -2.24 -1.26 -1.18 114.28 110.72 3kp3 n THR 53 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3kp3 n THR 53 Cb 0.00 -0.72 -0.00 0.00 -2.10 0.00 0.00 70.33 67.51 3kp3 n THR 53 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3kp3 h VAL 54 N 0.00 0.00 -0.69 2.28 2.07 -1.99 -3.26 116.25 114.65 3kp3 h VAL 54 Ca 0.00 -0.84 0.20 0.00 0.82 0.00 0.00 66.70 66.88 3kp3 h VAL 54 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 3kp3 h VAL 54 CO 0.00 0.00 0.70 1.23 0.02 0.00 0.00 177.57 179.52 3kp3 h GLY 55 N -0.84 0.00 0.19 2.17 0.00 -1.97 0.31 103.07 102.93 3kp3 h GLY 55 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3kp3 h GLY 55 CO 0.00 0.00 -0.06 1.46 0.00 0.00 0.00 176.54 177.94 3kp3 h GLN 56 N 0.00 -0.16 0.00 4.80 4.20 -1.96 -1.94 115.11 120.05 3kp3 h GLN 56 Ca 0.33 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.01 3kp3 h GLN 56 Cb 1.73 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.54 3kp3 h GLN 56 CO -0.00 0.19 -0.18 0.97 -0.67 0.00 0.00 178.83 179.13 3kp3 h ILE 57 N -0.98 0.89 0.00 2.54 2.10 -1.40 -0.21 117.51 120.45 3kp3 h ILE 57 Ca -0.02 -0.67 0.00 0.00 1.08 0.00 0.00 64.86 65.26 3kp3 h ILE 57 Cb 0.42 1.39 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 3kp3 h ILE 57 CO 0.03 0.17 0.00 0.74 -1.08 0.00 0.00 178.15 178.01 3kp3 h THR 58 N 0.00 0.00 0.00 2.19 2.02 -0.48 -3.27 112.91 113.37 3kp3 h THR 58 Ca -0.00 -0.62 -0.45 0.00 0.77 0.00 0.00 66.41 66.10 3kp3 h THR 58 Cb 0.37 1.60 -0.07 0.00 -1.74 0.00 0.00 68.15 68.31 3kp3 h THR 58 CO 0.02 0.00 -2.48 1.21 0.37 0.00 0.00 175.52 174.65 3kp3 n GLU 59 N -2.58 0.59 0.06 6.66 2.13 -0.25 -2.30 120.64 124.95 3kp3 n GLU 59 Ca 0.04 0.27 -0.11 0.00 0.66 0.00 0.00 57.16 58.03 3kp3 n GLU 59 Cb 0.43 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.60 3kp3 n GLU 59 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3kp3 h LYS 60 N -1.00 -0.30 -0.10 5.31 1.57 -1.29 -0.54 116.57 120.21 3kp3 h LYS 60 Ca -0.68 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.08 3kp3 h LYS 60 Cb 1.60 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.97 3kp3 h LYS 60 CO -0.41 -0.20 -0.06 1.96 -0.57 0.00 0.00 179.45 180.16 3kp3 h GLN 61 N -0.31 0.23 0.00 3.15 4.20 -1.80 -3.47 115.11 117.11 3kp3 h GLN 61 Ca 0.06 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3kp3 h GLN 61 Cb 0.38 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3kp3 h GLN 61 CO -0.18 0.60 0.00 0.41 -0.67 0.00 0.00 178.83 178.99 3kp3 n GLY 62 N 0.06 1.05 3.74 3.46 0.00 -0.21 -5.05 105.19 108.24 3kp3 n GLY 62 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3kp3 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kp3 s VAL 63 N -3.28 2.90 -0.05 1.61 1.01 -1.23 -4.83 120.40 116.53 3kp3 s VAL 63 Ca 0.00 0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 3kp3 s VAL 63 Cb 0.00 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3kp3 s VAL 63 CO 0.00 -0.38 0.17 -3.20 0.00 0.00 0.00 175.10 171.69 3kp3 n ASN 64 N -3.75 0.12 -0.38 3.32 4.05 -1.26 -4.60 115.26 112.75 3kp3 n ASN 64 Ca 0.08 0.11 -0.01 0.00 0.45 0.00 0.00 54.58 55.22 3kp3 n ASN 64 Cb 0.54 -0.09 0.05 0.00 1.23 0.00 0.00 39.78 41.51 3kp3 n ASN 64 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 3kp3 h LYS 65 N 0.56 -0.00 -0.00 1.20 5.09 -1.89 -0.09 116.57 121.43 3kp3 h LYS 65 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.70 3kp3 h LYS 65 Cb 0.14 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.47 3kp3 h LYS 65 CO 0.10 -0.00 0.00 0.00 -2.09 0.00 0.00 179.45 177.46 3kp3 h ALA 66 N 1.42 0.00 -0.45 0.07 0.00 -2.00 -2.80 119.26 115.51 3kp3 h ALA 66 Ca 0.36 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.29 3kp3 h ALA 66 Cb 0.61 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 3kp3 h ALA 66 CO -1.00 -0.43 -0.25 0.00 0.00 0.00 0.00 179.25 177.58 3kp3 h ALA 67 N 0.87 0.04 -0.61 0.00 0.00 -1.38 0.40 119.26 118.59 3kp3 h ALA 67 Ca 0.00 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3kp3 h ALA 67 Cb 0.13 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3kp3 h ALA 67 CO -0.00 -0.61 0.41 0.28 0.00 0.00 0.00 179.25 179.33 3kp3 h VAL 68 N -0.15 0.89 0.20 0.00 2.07 -1.27 -2.58 116.25 115.41 3kp3 h VAL 68 Ca 0.21 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3kp3 h VAL 68 Cb 0.48 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3kp3 h VAL 68 CO -0.54 0.08 -0.09 -1.28 0.02 0.00 0.00 177.57 175.75 3kp3 h SER 69 N 0.41 -0.22 -0.64 0.57 0.87 -0.12 -3.06 113.55 111.35 3kp3 h SER 69 Ca 0.28 -0.30 0.11 0.00 -1.23 0.00 0.00 61.79 60.65 3kp3 h SER 69 Cb 0.55 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.53 3kp3 h SER 69 CO -0.08 0.30 0.43 0.08 -0.53 0.00 0.00 176.83 177.03 3kp3 h ARG 70 N -0.86 0.41 -0.00 2.24 0.11 -0.20 -0.89 114.38 115.19 3kp3 h ARG 70 Ca -0.03 -0.02 -0.22 0.00 0.10 0.00 0.00 59.98 59.81 3kp3 h ARG 70 Cb 0.51 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.50 3kp3 h ARG 70 CO 0.04 0.27 -0.92 0.00 0.10 0.00 0.00 179.97 179.46 3kp3 h ARG 71 N 0.42 0.38 -0.08 0.08 3.08 -1.58 -3.13 114.38 113.55 3kp3 h ARG 71 Ca 0.30 -0.40 0.02 0.00 0.07 0.00 0.00 59.98 59.97 3kp3 h ARG 71 Cb 0.61 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3kp3 h ARG 71 CO -0.09 1.08 -0.06 0.28 -1.07 0.00 0.00 179.97 180.12 3kp3 h VAL 72 N 0.21 0.83 -0.09 2.04 2.07 -1.07 -1.37 116.25 118.87 3kp3 h VAL 72 Ca -0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3kp3 h VAL 72 Cb 1.56 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3kp3 h VAL 72 CO 0.16 0.00 0.06 0.50 0.02 0.00 0.00 177.57 178.31 3kp3 h LYS 73 N -0.06 0.02 -0.00 1.57 3.64 -1.44 -0.94 116.57 119.37 3kp3 h LYS 73 Ca 0.05 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.22 3kp3 h LYS 73 Cb 0.14 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3kp3 h LYS 73 CO -0.12 0.02 -0.90 0.87 -2.27 0.00 0.00 179.45 177.04 3kp3 h LYS 74 N 0.02 0.33 0.00 1.90 1.57 -1.34 -3.01 116.57 116.04 3kp3 h LYS 74 Ca 0.04 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3kp3 h LYS 74 Cb 0.14 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3kp3 h LYS 74 CO -0.00 1.04 0.00 -0.07 -0.57 0.00 0.00 179.45 179.85 3kp3 h LEU 75 N 0.19 0.00 0.07 2.94 3.38 -0.10 -2.57 115.31 119.21 3kp3 h LEU 75 Ca -0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 3kp3 h LEU 75 Cb 1.53 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.30 3kp3 h LEU 75 CO 0.15 0.00 -0.90 -0.07 0.09 0.00 0.00 178.44 177.71 3kp3 h LEU 76 N 0.00 0.68 -1.26 1.67 3.38 -1.26 -3.04 115.31 115.48 3kp3 h LEU 76 Ca 0.00 -0.81 -0.03 0.00 0.09 0.00 0.00 57.88 57.13 3kp3 h LEU 76 Cb 0.43 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3kp3 h LEU 76 CO 0.00 1.42 0.16 0.78 0.09 0.00 0.00 178.44 180.90 3kp3 h ASN 77 N 0.03 0.61 0.89 -0.43 4.21 -1.45 -1.49 115.58 117.94 3kp3 h ASN 77 Ca -0.13 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.30 3kp3 h ASN 77 Cb 1.62 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.66 3kp3 h ASN 77 CO 0.17 0.57 -0.15 0.00 -1.29 0.00 0.00 177.43 176.74 3kp3 n ALA 78 N -2.46 2.66 -3.35 -0.83 0.00 -1.18 -4.96 120.51 110.39 3kp3 n ALA 78 Ca 0.03 -0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.12 3kp3 n ALA 78 Cb 0.17 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.31 3kp3 n ALA 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kp3 n GLU 79 N -1.55 -2.00 0.00 0.00 1.02 -0.56 -4.91 120.64 112.64 3kp3 n GLU 79 Ca 0.06 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 3kp3 n GLU 79 Cb 0.34 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.32 3kp3 n GLU 79 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kp3 n LEU 80 N -3.43 1.71 -3.68 -4.62 4.77 -1.16 -4.39 117.00 106.20 3kp3 n LEU 80 Ca -0.07 -1.71 -0.11 0.00 -0.03 0.00 0.00 56.01 54.09 3kp3 n LEU 80 Cb 0.61 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.59 3kp3 n LEU 80 CO 0.61 0.43 -0.04 -0.69 -1.33 0.00 0.00 177.39 176.36 3kp3 s VAL 81 N -0.81 -0.34 0.01 4.08 1.01 -1.23 -3.88 120.40 119.23 3kp3 s VAL 81 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 3kp3 s VAL 81 Cb 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3kp3 s VAL 81 CO 0.00 0.08 0.15 -0.54 0.00 0.00 0.00 175.10 174.78 3kp3 s LYS 82 N 2.07 3.28 -0.08 2.72 1.02 -1.10 -4.68 119.74 122.97 3kp3 s LYS 82 Ca -0.04 -0.42 -0.20 0.00 0.02 0.00 0.00 55.97 55.34 3kp3 s LYS 82 Cb -0.11 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 3kp3 s LYS 82 CO -0.11 0.65 0.56 -1.17 -0.92 0.00 0.00 175.35 174.36 3kp3 s LEU 83 N -1.98 4.31 0.00 3.17 0.20 -1.26 0.13 118.68 123.25 3kp3 s LEU 83 Ca 0.27 0.97 0.00 0.00 0.69 0.00 0.00 54.13 56.06 3kp3 s LEU 83 Cb -0.12 -2.83 0.00 0.00 -0.43 0.00 0.00 46.19 42.80 3kp3 s LEU 83 CO 0.19 -0.01 0.00 2.30 -0.29 0.00 0.00 176.35 178.54 3kp3 n ILE 96 N 3.51 0.00 -3.71 6.68 -5.35 -0.97 -4.73 119.36 114.80 3kp3 n ILE 96 Ca -0.06 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 3kp3 n ILE 96 Cb 0.51 -0.02 -0.12 0.00 -1.74 0.00 0.00 39.64 38.27 3kp3 n ILE 96 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3kp3 s ILE 97 N 0.03 -0.12 0.00 7.28 1.09 -0.33 -4.90 121.20 124.25 3kp3 s ILE 97 Ca 0.00 0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.71 3kp3 s ILE 97 Cb 0.00 -0.45 0.00 0.00 -1.06 0.00 0.00 42.46 40.95 3kp3 s ILE 97 CO 0.00 0.07 0.00 1.17 -0.10 0.00 0.00 174.94 176.08 3kp3 n LYS 98 N 4.47 1.91 -0.92 2.79 4.81 0.35 -2.23 118.16 129.33 3kp3 n LYS 98 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 3kp3 n LYS 98 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 3kp3 n LYS 98 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3kp3 n LEU 99 N 0.00 0.00 -4.02 3.14 4.77 -1.26 -2.71 117.00 116.92 3kp3 n LEU 99 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3kp3 n LEU 99 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3kp3 n LEU 99 CO 0.00 -0.26 0.21 -0.94 -1.33 0.00 0.00 177.39 175.07 3kp3 s SER 100 N -0.85 0.54 0.19 -1.43 1.04 -1.25 -3.02 113.70 108.91 3kp3 s SER 100 Ca 0.00 -1.31 -0.12 0.00 0.48 0.00 0.00 55.95 55.00 3kp3 s SER 100 Cb 0.00 0.68 0.14 0.00 0.10 0.00 0.00 66.02 66.94 3kp3 s SER 100 CO 0.00 -1.33 1.83 0.78 0.98 0.00 0.00 173.24 175.50 3kp3 h ASN 101 N 2.13 0.60 0.16 7.02 2.35 -1.95 1.29 115.58 127.18 3kp3 h ASN 101 Ca -0.29 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.30 3kp3 h ASN 101 Cb 1.24 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 3kp3 h ASN 101 CO 0.38 0.42 -0.63 0.50 -1.65 0.00 0.00 177.43 176.45 3kp3 h LYS 102 N 0.73 0.45 -0.00 0.81 3.64 -1.95 -2.35 116.57 117.90 3kp3 h LYS 102 Ca 0.24 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3kp3 h LYS 102 Cb 0.02 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3kp3 h LYS 102 CO -0.10 0.94 0.00 0.78 -2.27 0.00 0.00 179.45 178.80 3kp3 h GLY 103 N 1.19 0.00 0.62 5.01 0.00 -1.41 -2.28 103.07 106.22 3kp3 h GLY 103 Ca -0.01 -0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.42 3kp3 h GLY 103 CO 0.11 0.00 0.60 0.50 0.00 0.00 0.00 176.54 177.75 3kp3 h LYS 104 N -0.27 0.91 -0.48 4.80 1.57 0.16 -2.46 116.57 120.79 3kp3 h LYS 104 Ca 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3kp3 h LYS 104 Cb 0.27 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3kp3 h LYS 104 CO 0.00 0.60 0.18 -0.22 -0.57 0.00 0.00 179.45 179.44 3kp3 h LYS 105 N 0.93 0.73 0.24 3.15 3.64 -1.17 -2.78 116.57 121.31 3kp3 h LYS 105 Ca 0.45 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 3kp3 h LYS 105 Cb 0.44 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3kp3 h LYS 105 CO -0.21 0.67 -0.36 -0.92 -2.27 0.00 0.00 179.45 176.36 3kp3 h TYR 106 N 0.64 -0.98 -0.22 1.91 3.20 -0.93 -2.73 116.97 117.87 3kp3 h TYR 106 Ca 0.16 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.10 3kp3 h TYR 106 Cb 0.22 0.40 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 3kp3 h TYR 106 CO 0.01 -0.48 -0.19 0.82 -1.64 0.00 0.00 178.16 176.67 3kp3 h ILE 107 N -0.66 0.48 -0.94 1.81 1.08 -1.54 0.16 117.51 117.89 3kp3 h ILE 107 Ca 0.00 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 3kp3 h ILE 107 Cb 0.64 0.48 -0.13 0.00 -3.07 0.00 0.00 36.82 34.74 3kp3 h ILE 107 CO -0.14 0.00 -0.51 0.11 -0.69 0.00 0.00 178.15 176.92 3kp3 h LYS 108 N -0.20 -0.03 -0.62 2.37 1.79 -1.35 1.07 116.57 119.59 3kp3 h LYS 108 Ca 0.13 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.65 3kp3 h LYS 108 Cb 0.40 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.01 3kp3 h LYS 108 CO -0.34 -0.02 0.35 0.93 -1.08 0.00 0.00 179.45 179.29 3kp3 h GLU 109 N -0.04 0.64 -0.35 3.15 5.08 -0.96 0.17 114.58 122.27 3kp3 h GLU 109 Ca 0.22 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 3kp3 h GLU 109 Cb 0.49 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3kp3 h GLU 109 CO -0.92 0.42 0.13 -0.09 -1.00 0.00 0.00 179.01 177.55 3kp3 h ARG 110 N 0.66 0.27 -0.24 2.33 9.65 0.30 -2.01 114.38 125.34 3kp3 h ARG 110 Ca 0.27 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 59.05 3kp3 h ARG 110 Cb 0.14 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 3kp3 h ARG 110 CO -0.16 0.18 -0.22 0.87 2.80 0.00 0.00 179.97 183.44 3kp3 h LYS 111 N 0.28 0.44 0.02 0.20 1.79 0.16 -2.98 116.57 116.48 3kp3 h LYS 111 Ca 0.16 -0.15 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 3kp3 h LYS 111 Cb 0.13 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.71 3kp3 h LYS 111 CO -0.16 0.63 -0.37 0.00 -1.08 0.00 0.00 179.45 178.48 3kp3 h ALA 112 N 1.38 -0.82 0.28 3.86 0.00 0.07 -2.32 119.26 121.70 3kp3 h ALA 112 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kp3 h ALA 112 Cb 0.60 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 3kp3 h ALA 112 CO 0.04 -0.93 -0.43 0.82 0.00 0.00 0.00 179.25 178.75 3kp3 h ILE 113 N -0.48 0.14 -0.04 0.00 2.04 -1.51 -1.99 117.51 115.67 3kp3 h ILE 113 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3kp3 h ILE 113 Cb 0.51 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3kp3 h ILE 113 CO -0.24 0.00 -0.04 0.24 0.00 0.00 0.00 178.15 178.11 3kp3 h MET 114 N -0.77 -0.02 -0.60 2.37 2.86 -1.45 -1.90 114.93 115.43 3kp3 h MET 114 Ca -0.01 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 3kp3 h MET 114 Cb 0.73 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.31 3kp3 h MET 114 CO -0.15 -0.01 0.06 0.66 1.06 0.00 0.00 176.91 178.52 3kp3 h SER 115 N -0.02 -0.14 -0.28 1.22 4.64 -1.46 0.89 113.55 118.40 3kp3 h SER 115 Ca 0.01 0.13 0.08 0.00 -0.47 0.00 0.00 61.79 61.54 3kp3 h SER 115 Cb 0.04 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3kp3 h SER 115 CO -0.05 -0.06 0.28 0.45 -0.87 0.00 0.00 176.83 176.59 3kp3 h HIS 116 N 0.18 0.00 0.00 4.77 -0.00 -0.88 0.21 115.15 119.44 3kp3 h HIS 116 Ca 0.31 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.55 3kp3 h HIS 116 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 3kp3 h HIS 116 CO -0.30 0.00 -0.83 0.82 -0.00 0.00 0.00 177.93 177.62 3kp3 h ILE 117 N 0.00 0.74 -0.86 2.45 1.08 -0.11 -3.10 117.51 117.71 3kp3 h ILE 117 Ca 0.14 -1.83 0.14 0.00 -0.39 0.00 0.00 64.86 62.92 3kp3 h ILE 117 Cb 0.70 1.67 -0.09 0.00 -3.07 0.00 0.00 36.82 36.02 3kp3 h ILE 117 CO -0.00 0.25 0.45 0.00 -0.69 0.00 0.00 178.15 178.16 3kp3 h ALA 118 N -0.59 1.29 0.43 1.87 0.00 -0.80 0.62 119.26 122.07 3kp3 h ALA 118 Ca -0.19 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3kp3 h ALA 118 Cb 0.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kp3 h ALA 118 CO -0.12 -0.05 -0.23 1.03 0.00 0.00 0.00 179.25 179.88 3kp3 h SER 119 N 0.66 -0.55 -1.18 0.00 0.87 -0.74 -0.03 113.55 112.58 3kp3 h SER 119 Ca 0.46 0.02 0.33 0.00 -1.23 0.00 0.00 61.79 61.38 3kp3 h SER 119 Cb 0.62 0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 62.65 3kp3 h SER 119 CO -0.34 -0.37 0.81 0.44 -0.53 0.00 0.00 176.83 176.83 3kp3 h ASP 120 N -0.60 0.20 -0.21 6.23 3.45 -1.32 1.04 116.42 125.21 3kp3 h ASP 120 Ca -0.06 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3kp3 h ASP 120 Cb 0.47 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 3kp3 h ASP 120 CO 0.08 0.01 0.00 0.80 -1.57 0.00 0.00 179.24 178.56 3kp3 n MET 121 N -4.40 1.66 0.00 3.56 1.56 0.21 -4.07 117.12 115.64 3kp3 n MET 121 Ca 0.28 -1.00 0.00 0.00 -0.27 0.00 0.00 57.70 56.70 3kp3 n MET 121 Cb 1.16 -1.32 0.00 0.00 2.15 0.00 0.00 33.22 35.20 3kp3 n MET 121 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 3kp3 n THR 122 N 0.25 0.00 -0.63 1.12 5.66 0.24 -4.94 114.28 115.98 3kp3 n THR 122 Ca 0.14 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.06 3kp3 n THR 122 Cb 0.28 0.86 -0.11 0.00 -1.55 0.00 0.00 70.33 69.81 3kp3 n THR 122 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3kp3 n SER 123 N 0.00 3.32 0.00 1.09 3.41 0.29 -1.39 113.62 120.35 3kp3 n SER 123 Ca 0.00 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 3kp3 n SER 123 Cb 0.06 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 3kp3 n SER 123 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kp3 n ASP 124 N 2.71 0.00 -4.89 4.04 5.68 -1.26 -5.02 116.55 117.81 3kp3 n ASP 124 Ca 0.27 -0.51 -0.29 0.00 -0.50 0.00 0.00 54.79 53.75 3kp3 n ASP 124 Cb 0.57 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.57 3kp3 n ASP 124 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3kp3 s PHE 125 N 0.00 3.52 -0.36 2.11 0.40 -0.48 -5.02 117.98 118.16 3kp3 s PHE 125 Ca 0.00 1.06 -0.24 0.00 -0.60 0.00 0.00 56.93 57.15 3kp3 s PHE 125 Cb 0.00 -2.67 0.01 0.00 0.51 0.00 0.00 43.02 40.87 3kp3 s PHE 125 CO 0.00 -0.68 0.85 0.34 0.70 0.00 0.00 175.22 176.43 3kp3 s ASP 126 N -4.20 6.63 0.07 1.36 2.15 -1.26 -4.92 116.67 116.49 3kp3 s ASP 126 Ca 0.53 0.51 -0.01 0.00 0.43 0.00 0.00 52.55 54.02 3kp3 s ASP 126 Cb -0.11 -2.43 0.14 0.00 -0.30 0.00 0.00 42.92 40.22 3kp3 s ASP 126 CO 0.50 -0.77 0.35 -1.54 -0.17 0.00 0.00 175.17 173.54 3kp3 n SER 127 N 6.55 -0.05 -0.10 -0.34 3.41 -1.26 0.26 113.62 122.09 3kp3 n SER 127 Ca 0.05 0.39 -0.10 0.00 -0.26 0.00 0.00 58.87 58.94 3kp3 n SER 127 Cb 0.48 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 3kp3 n SER 127 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3kp3 h LYS 128 N 0.00 0.47 -0.42 4.33 3.11 -2.00 -2.68 116.57 119.38 3kp3 h LYS 128 Ca 0.12 -0.12 0.07 0.00 -2.81 0.00 0.00 60.65 57.92 3kp3 h LYS 128 Cb 0.23 -0.06 -0.06 0.00 -1.00 0.00 0.00 32.23 31.34 3kp3 h LYS 128 CO -0.22 0.55 0.05 0.93 -2.81 0.00 0.00 179.45 177.95 3kp3 h GLU 129 N 0.30 0.16 0.82 1.90 5.08 0.31 -1.37 114.58 121.78 3kp3 h GLU 129 Ca 0.09 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3kp3 h GLU 129 Cb 0.30 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.53 3kp3 h GLU 129 CO 0.00 0.11 -0.40 0.82 -1.00 0.00 0.00 179.01 178.54 3kp3 h ILE 130 N 0.16 0.00 -0.75 3.13 1.08 -1.47 -2.91 117.51 116.75 3kp3 h ILE 130 Ca 0.21 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.85 3kp3 h ILE 130 Cb 0.27 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 33.89 3kp3 h ILE 130 CO -0.30 0.00 0.01 -0.33 -0.69 0.00 0.00 178.15 176.84 3kp3 h GLU 131 N -1.11 0.10 -0.26 2.37 5.08 -1.37 1.06 114.58 120.45 3kp3 h GLU 131 Ca -0.11 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3kp3 h GLU 131 Cb 0.86 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3kp3 h GLU 131 CO 0.18 0.07 0.29 -0.22 -1.00 0.00 0.00 179.01 178.33 3kp3 h LYS 132 N 0.11 0.00 0.03 2.33 1.63 -1.16 0.63 116.57 120.13 3kp3 h LYS 132 Ca 0.41 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.15 3kp3 h LYS 132 Cb 0.72 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.35 3kp3 h LYS 132 CO -0.65 0.00 -0.25 0.28 -3.45 0.00 0.00 179.45 175.37 3kp3 h VAL 133 N 0.00 1.64 -0.86 2.00 2.07 0.13 -3.03 116.25 118.21 3kp3 h VAL 133 Ca 0.12 -2.21 0.07 0.00 0.82 0.00 0.00 66.70 65.50 3kp3 h VAL 133 Cb 0.70 3.11 -0.06 0.00 -1.52 0.00 0.00 31.29 33.52 3kp3 h VAL 133 CO -0.00 0.60 0.56 -0.09 0.02 0.00 0.00 177.57 178.65 3kp3 h ARG 134 N -0.69 0.90 -0.12 1.57 9.65 0.14 -0.06 114.38 125.78 3kp3 h ARG 134 Ca -0.04 -0.05 -0.15 0.00 -1.10 0.00 0.00 59.98 58.64 3kp3 h ARG 134 Cb 1.12 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.48 3kp3 h ARG 134 CO 0.05 0.59 -0.56 1.96 2.80 0.00 0.00 179.97 184.81 3kp3 h GLN 135 N 0.92 0.35 0.00 0.20 4.20 -1.04 0.54 115.11 120.29 3kp3 h GLN 135 Ca 0.38 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 3kp3 h GLN 135 Cb 0.27 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3kp3 h GLN 135 CO -0.14 0.82 -0.40 0.28 -0.67 0.00 0.00 178.83 178.72 3kp3 h VAL 136 N 0.27 0.59 0.02 -0.54 2.07 -1.29 -2.52 116.25 114.86 3kp3 h VAL 136 Ca 0.00 -1.84 -0.26 0.00 0.82 0.00 0.00 66.70 65.42 3kp3 h VAL 136 Cb 1.06 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 3kp3 h VAL 136 CO 0.09 0.34 -1.41 -0.07 0.02 0.00 0.00 177.57 176.54 3kp3 h LEU 137 N 0.00 0.07 -0.29 2.57 3.38 -0.76 -3.10 115.31 117.18 3kp3 h LEU 137 Ca -0.01 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3kp3 h LEU 137 Cb 1.27 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3kp3 h LEU 137 CO 0.04 1.08 -0.11 -0.33 0.09 0.00 0.00 178.44 179.22 3kp3 h GLU 138 N 0.01 0.58 -0.17 1.13 5.08 0.11 -0.69 114.58 120.63 3kp3 h GLU 138 Ca -0.17 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 3kp3 h GLU 138 Cb 1.92 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 3kp3 h GLU 138 CO 0.11 0.81 -0.24 0.97 -1.00 0.00 0.00 179.01 179.66 3kp3 h ILE 139 N 0.33 1.24 -0.17 3.13 2.10 -1.57 0.74 117.51 123.32 3kp3 h ILE 139 Ca 0.07 -1.11 -0.22 0.00 1.08 0.00 0.00 64.86 64.67 3kp3 h ILE 139 Cb 0.62 1.38 0.01 0.00 -1.09 0.00 0.00 36.82 37.73 3kp3 h ILE 139 CO 0.04 0.34 -0.75 0.40 -1.08 0.00 0.00 178.15 177.10 3kp3 h ILE 140 N 0.27 1.28 -0.45 2.19 2.04 -1.45 -1.94 117.51 119.45 3kp3 h ILE 140 Ca 0.04 -1.95 -0.05 0.00 1.00 0.00 0.00 64.86 63.90 3kp3 h ILE 140 Cb 0.57 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 3kp3 h ILE 140 CO 0.04 0.62 0.07 -0.78 0.00 0.00 0.00 178.15 178.10 3kp3 h ASP 141 N 0.55 0.72 -0.77 1.72 -0.00 -0.80 0.84 116.42 118.68 3kp3 h ASP 141 Ca -0.04 -0.26 0.12 0.00 -0.00 0.00 0.00 57.03 56.84 3kp3 h ASP 141 Cb 1.38 -0.19 -0.08 0.00 -0.00 0.00 0.00 39.33 40.43 3kp3 h ASP 141 CO 0.16 0.80 0.37 0.22 -0.00 0.00 0.00 179.24 180.79 3kp3 h TYR 142 N 0.61 0.65 -0.08 0.28 3.20 -0.77 0.55 116.97 121.41 3kp3 h TYR 142 Ca 0.14 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.90 3kp3 h TYR 142 Cb 0.39 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.50 3kp3 h TYR 142 CO 0.03 0.18 -0.49 0.00 -1.64 0.00 0.00 178.16 176.24 3kp3 h ARG 143 N 0.58 0.47 -0.19 1.82 3.08 -1.07 -2.51 114.38 116.55 3kp3 h ARG 143 Ca 0.40 -0.40 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3kp3 h ARG 143 Cb 0.51 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.58 3kp3 h ARG 143 CO -0.33 1.04 -0.38 0.82 -1.07 0.00 0.00 179.97 180.05 3kp3 h ILE 144 N 0.03 0.19 -0.39 2.04 2.04 -0.13 0.51 117.51 121.81 3kp3 h ILE 144 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 3kp3 h ILE 144 Cb 1.15 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3kp3 h ILE 144 CO 0.10 0.00 0.12 1.56 0.00 0.00 0.00 178.15 179.93 3kp3 h GLN 145 N -0.42 0.26 -0.39 2.37 4.20 -0.97 0.10 115.11 120.26 3kp3 h GLN 145 Ca 0.10 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.81 3kp3 h GLN 145 Cb 0.59 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3kp3 h GLN 145 CO -0.42 0.17 0.24 0.66 -0.67 0.00 0.00 178.83 178.81 3kp3 h SER 146 N 0.26 0.39 -0.53 1.46 4.64 -0.96 0.30 113.55 119.11 3kp3 h SER 146 Ca 0.18 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 3kp3 h SER 146 Cb 0.18 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3kp3 h SER 146 CO -0.21 0.28 0.25 0.22 -0.87 0.00 0.00 176.83 176.50 3kp3 h TYR 147 N 0.48 0.78 0.45 4.77 5.03 -0.40 -3.04 116.97 125.04 3kp3 h TYR 147 Ca 0.15 -0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 3kp3 h TYR 147 Cb -0.01 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.02 3kp3 h TYR 147 CO -0.07 0.62 -0.35 1.15 -1.32 0.00 0.00 178.16 178.19 3kp3 h THR 148 N 0.72 0.00 0.00 1.81 2.02 -0.33 -2.19 112.91 114.94 3kp3 h THR 148 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.36 3kp3 h THR 148 Cb 0.14 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3kp3 h THR 148 CO -0.02 0.00 0.90 -1.54 0.37 0.00 0.00 175.52 175.23 3kp3 n SER 149 N -4.57 0.00 -1.17 4.18 3.41 0.05 0.13 113.62 115.66 3kp3 n SER 149 Ca -0.09 0.43 -0.04 0.00 -0.26 0.00 0.00 58.87 58.91 3kp3 n SER 149 Cb 0.34 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.35 3kp3 n SER 149 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kp3 n LYS 150 N -2.26 1.47 0.00 4.33 4.01 -0.82 -5.10 118.16 119.79 3kp3 n LYS 150 Ca 0.00 -0.73 0.00 0.00 -0.51 0.00 0.00 58.31 57.07 3kp3 n LYS 150 Cb 0.90 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 34.03 3kp3 n LYS 150 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18