#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mk4 h GLN 41 N 0.00 0.00 -0.08 1.61 1.08 -2.05 -2.88 115.11 112.79 3mk4 h GLN 41 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3mk4 h GLN 41 Cb 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3mk4 h GLN 41 CO 0.00 0.20 -0.01 0.93 -0.95 0.00 0.00 178.83 179.01 3mk4 h GLU 42 N 0.00 0.15 -0.67 1.46 3.07 -2.05 -0.15 114.58 116.40 3mk4 h GLU 42 Ca -0.00 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3mk4 h GLU 42 Cb 0.63 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.49 3mk4 h GLU 42 CO 0.03 0.44 0.43 -0.09 -1.40 0.00 0.00 179.01 178.42 3mk4 h ARG 43 N -0.15 0.85 -0.79 2.33 2.43 -1.99 -0.69 114.38 116.37 3mk4 h ARG 43 Ca 0.02 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3mk4 h ARG 43 Cb 0.38 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 3mk4 h ARG 43 CO 0.01 0.56 0.40 0.93 -1.51 0.00 0.00 179.97 180.35 3mk4 h GLU 44 N 0.87 1.13 -0.51 0.20 5.08 -1.45 -0.93 114.58 118.97 3mk4 h GLU 44 Ca 0.25 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3mk4 h GLU 44 Cb -0.06 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 3mk4 h GLU 44 CO -0.07 0.86 0.14 0.00 -1.00 0.00 0.00 179.01 178.94 3mk4 h ALA 45 N 1.21 0.68 -0.14 3.43 0.00 -0.84 -1.08 119.26 122.52 3mk4 h ALA 45 Ca 0.27 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3mk4 h ALA 45 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3mk4 h ALA 45 CO -0.04 0.35 0.03 0.00 0.00 0.00 0.00 179.25 179.60 3mk4 h ALA 46 N 1.01 0.14 -0.01 0.00 0.00 -0.76 -0.51 119.26 119.13 3mk4 h ALA 46 Ca 0.16 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3mk4 h ALA 46 Cb 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3mk4 h ALA 46 CO -0.00 -0.42 -0.30 0.93 0.00 0.00 0.00 179.25 179.46 3mk4 h GLU 47 N 0.09 0.02 -0.24 0.00 5.08 -1.13 -2.25 114.58 116.15 3mk4 h GLU 47 Ca 0.06 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3mk4 h GLU 47 Cb 0.05 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3mk4 h GLU 47 CO -0.07 0.32 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.18 3mk4 h TYR 48 N 0.02 0.63 -0.53 4.33 3.20 -0.59 -1.82 116.97 122.20 3mk4 h TYR 48 Ca 0.00 -0.17 -0.11 0.00 3.14 0.00 0.00 58.73 61.59 3mk4 h TYR 48 Cb 0.54 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 3mk4 h TYR 48 CO 0.00 0.82 -0.10 0.82 -1.64 0.00 0.00 178.16 178.07 3mk4 h ILE 49 N 0.25 1.27 -0.09 1.81 1.08 -0.95 -0.73 117.51 120.14 3mk4 h ILE 49 Ca 0.05 -1.25 -0.00 0.00 -0.39 0.00 0.00 64.86 63.27 3mk4 h ILE 49 Cb 0.68 0.98 -0.00 0.00 -3.07 0.00 0.00 36.82 35.40 3mk4 h ILE 49 CO 0.04 0.44 0.05 0.00 -0.69 0.00 0.00 178.15 177.99 3mk4 h ALA 50 N 0.92 0.11 -0.21 1.87 0.00 -1.39 -0.16 119.26 120.41 3mk4 h ALA 50 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mk4 h ALA 50 Cb 0.66 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3mk4 h ALA 50 CO 0.05 -0.34 0.12 1.96 0.00 0.00 0.00 179.25 181.03 3mk4 h GLN 51 N 0.03 0.29 -0.71 0.00 7.50 -1.25 0.67 115.11 121.64 3mk4 h GLN 51 Ca 0.03 -0.03 0.11 0.00 0.50 0.00 0.00 58.65 59.25 3mk4 h GLN 51 Cb 0.10 -0.06 -0.08 0.00 0.05 0.00 0.00 27.48 27.49 3mk4 h GLN 51 CO -0.00 0.27 0.33 0.00 -1.50 0.00 0.00 178.83 177.93 3mk4 h ALA 52 N 1.01 0.99 -0.12 3.87 0.00 -1.07 0.23 119.26 124.17 3mk4 h ALA 52 Ca 0.07 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3mk4 h ALA 52 Cb 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3mk4 h ALA 52 CO -0.01 -0.10 -0.04 -0.09 0.00 0.00 0.00 179.25 179.00 3mk4 h ARG 53 N 0.55 0.23 -0.88 0.00 2.43 -0.56 -1.56 114.38 114.59 3mk4 h ARG 53 Ca 0.36 -0.10 0.11 0.00 -0.81 0.00 0.00 59.98 59.55 3mk4 h ARG 53 Cb 0.44 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 3mk4 h ARG 53 CO -0.31 0.56 0.57 0.00 -1.51 0.00 0.00 179.97 179.28 3mk4 h ARG 54 N -0.10 0.78 -0.02 0.20 3.08 -0.53 -2.80 114.38 114.99 3mk4 h ARG 54 Ca 0.03 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 59.79 3mk4 h ARG 54 Cb 0.48 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.36 3mk4 h ARG 54 CO 0.01 0.52 -0.95 0.37 -1.07 0.00 0.00 179.97 178.85 3mk4 h GLN 55 N 0.80 0.56 -0.78 0.04 5.75 -0.30 -0.70 115.11 120.48 3mk4 h GLN 55 Ca 0.42 -0.57 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 3mk4 h GLN 55 Cb 0.53 0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 3mk4 h GLN 55 CO -0.19 1.19 0.45 -0.92 -2.65 0.00 0.00 178.83 176.72 3mk4 h TYR 56 N 0.33 1.05 -0.08 3.99 3.20 -1.09 -1.19 116.97 123.18 3mk4 h TYR 56 Ca -0.09 -0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.53 3mk4 h TYR 56 Cb 1.59 -0.34 0.02 0.00 1.54 0.00 0.00 36.73 39.53 3mk4 h TYR 56 CO 0.08 0.72 -0.87 0.45 -1.64 0.00 0.00 178.16 176.90 3mk4 h HIS 57 N 1.08 1.03 -0.12 -3.82 3.86 -1.40 -1.89 115.15 113.89 3mk4 h HIS 57 Ca 0.28 -0.50 0.03 0.00 -1.16 0.00 0.00 60.37 59.02 3mk4 h HIS 57 Cb -0.00 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 3mk4 h HIS 57 CO -0.00 1.34 -0.08 0.35 0.86 0.00 0.00 177.93 180.39 3mk4 h PHE 58 N 0.42 -0.20 -0.49 2.45 3.57 -1.08 -0.33 116.94 121.29 3mk4 h PHE 58 Ca -0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 3mk4 h PHE 58 Cb 1.51 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.34 3mk4 h PHE 58 CO 0.10 -0.13 0.30 0.93 -2.23 0.00 0.00 178.31 177.28 3mk4 h GLU 59 N -0.09 0.66 -0.81 1.11 5.08 -1.19 0.98 114.58 120.32 3mk4 h GLU 59 Ca 0.08 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3mk4 h GLU 59 Cb 0.20 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 3mk4 h GLU 59 CO -0.17 0.48 0.48 1.03 -1.00 0.00 0.00 179.01 179.83 3mk4 h SER 60 N 0.66 0.74 0.37 1.42 0.87 -1.22 -1.65 113.55 114.73 3mk4 h SER 60 Ca 0.18 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 3mk4 h SER 60 Cb -0.02 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3mk4 h SER 60 CO -0.03 0.46 -0.51 -1.13 -0.53 0.00 0.00 176.83 175.09 3mk4 h ASN 61 N 0.87 0.18 -0.40 6.23 -0.00 0.03 -2.13 115.58 120.36 3mk4 h ASN 61 Ca 0.36 -0.09 -0.08 0.00 -0.00 0.00 0.00 56.30 56.50 3mk4 h ASN 61 Cb 0.22 -0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 38.47 3mk4 h ASN 61 CO -0.19 0.66 -0.01 1.56 -0.00 0.00 0.00 177.43 179.44 3mk4 h GLN 62 N 0.13 0.80 -0.23 6.67 1.08 -0.43 -1.30 115.11 121.82 3mk4 h GLN 62 Ca 0.00 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 56.96 3mk4 h GLN 62 Cb 0.94 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 3mk4 h GLN 62 CO 0.07 0.81 0.07 0.00 -0.95 0.00 0.00 178.83 178.83 3mk4 h ARG 63 N 0.74 0.36 -0.10 1.46 3.08 -0.85 0.12 114.38 119.20 3mk4 h ARG 63 Ca 0.14 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.16 3mk4 h ARG 63 Cb 0.47 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 3mk4 h ARG 63 CO 0.02 0.45 -0.25 1.15 -1.07 0.00 0.00 179.97 180.27 3mk4 h THR 64 N 0.20 0.41 -0.72 2.04 2.02 -1.36 -1.93 112.91 113.58 3mk4 h THR 64 Ca 0.07 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.32 3mk4 h THR 64 Cb 0.24 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.01 3mk4 h THR 64 CO -0.00 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.30 3mk4 h ASN 66 N 0.76 0.16 -0.28 0.00 2.35 -0.55 -0.53 115.58 117.48 3mk4 h ASN 66 Ca 0.32 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.14 3mk4 h ASN 66 Cb 0.19 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 3mk4 h ASN 66 CO -0.18 0.13 0.05 0.24 -1.65 0.00 0.00 177.43 176.02 3mk4 h MET 67 N 0.28 0.15 -0.36 0.81 2.86 -0.79 -2.44 114.93 115.45 3mk4 h MET 67 Ca 0.15 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3mk4 h MET 67 Cb 0.10 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3mk4 h MET 67 CO -0.14 0.10 0.18 1.15 1.06 0.00 0.00 176.91 179.27 3mk4 h THR 68 N 0.16 1.15 -0.29 2.22 2.02 -0.73 -1.38 112.91 116.05 3mk4 h THR 68 Ca 0.13 -0.42 0.07 0.00 0.77 0.00 0.00 66.41 66.95 3mk4 h THR 68 Cb 0.14 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 3mk4 h THR 68 CO -0.17 0.16 -0.18 0.58 0.37 0.00 0.00 175.52 176.28 3mk4 h VAL 69 N 0.45 0.49 -0.09 3.16 2.07 -1.06 -1.71 116.25 119.55 3mk4 h VAL 69 Ca 0.13 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.52 3mk4 h VAL 69 Cb 0.09 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3mk4 h VAL 69 CO -0.02 0.00 -0.52 -0.07 0.02 0.00 0.00 177.57 176.98 3mk4 h LEU 70 N -0.15 0.28 -0.82 2.57 3.38 -1.17 -2.08 115.31 117.33 3mk4 h LEU 70 Ca 0.16 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3mk4 h LEU 70 Cb 0.38 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3mk4 h LEU 70 CO -0.38 0.75 -0.48 0.77 0.09 0.00 0.00 178.44 179.19 3mk4 h SER 71 N 0.20 0.28 1.78 -0.43 4.64 -1.15 -3.23 113.55 115.65 3mk4 h SER 71 Ca 0.01 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 3mk4 h SER 71 Cb 0.98 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3mk4 h SER 71 CO 0.08 0.72 -0.14 0.24 -0.87 0.00 0.00 176.83 176.86 3mk4 h MET 72 N 0.21 0.00 -0.37 4.77 2.86 -0.99 -3.39 114.93 118.02 3mk4 h MET 72 Ca 0.01 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.72 3mk4 h MET 72 Cb 0.93 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.52 3mk4 h MET 72 CO 0.08 0.14 -0.08 -0.07 1.06 0.00 0.00 176.91 178.03 3mk4 h LEU 73 N 0.00 -0.33 -2.04 1.22 3.38 -1.40 -1.80 115.31 114.35 3mk4 h LEU 73 Ca -0.00 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3mk4 h LEU 73 Cb 1.07 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3mk4 h LEU 73 CO 0.02 -0.11 0.13 -0.65 0.09 0.00 0.00 178.44 177.91 3mk4 h PRO 74 N 0.01 0.00 -0.18 1.13 0.11 -1.78 0.18 132.00 131.47 3mk4 h PRO 74 Ca 0.18 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.10 3mk4 h PRO 74 Cb 0.27 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.39 3mk4 h PRO 74 CO -0.37 0.00 -0.63 1.15 -0.21 0.00 0.00 178.00 177.93 3mk4 h THR 75 N 0.00 1.30 0.00 -1.15 2.02 -1.60 -0.22 112.91 113.26 3mk4 h THR 75 Ca 0.08 -1.85 -0.00 0.00 0.77 0.00 0.00 66.41 65.41 3mk4 h THR 75 Cb 0.33 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 3mk4 h THR 75 CO -0.00 0.58 -0.00 0.25 0.37 0.00 0.00 175.52 176.72 3mk4 h LEU 76 N 0.46 -0.00 -0.62 2.58 5.85 -0.69 -1.23 115.31 121.66 3mk4 h LEU 76 Ca -0.03 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.63 3mk4 h LEU 76 Cb 1.26 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 3mk4 h LEU 76 CO 0.13 0.13 0.31 -0.09 -0.34 0.00 0.00 178.44 178.58 3mk4 h ARG 77 N -0.13 0.54 -0.70 1.25 2.43 -0.72 -1.36 114.38 115.69 3mk4 h ARG 77 Ca -0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3mk4 h ARG 77 Cb 0.13 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3mk4 h ARG 77 CO 0.00 0.36 0.31 1.49 -1.51 0.00 0.00 179.97 180.62 3mk4 h GLU 78 N 0.55 1.02 -0.43 0.20 4.81 -0.83 -2.01 114.58 117.89 3mk4 h GLU 78 Ca 0.29 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3mk4 h GLU 78 Cb 0.26 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3mk4 h GLU 78 CO -0.23 0.82 0.09 0.00 -0.73 0.00 0.00 179.01 178.96 3mk4 h ALA 79 N 1.15 0.57 -0.47 2.92 0.00 -0.75 -1.84 119.26 120.83 3mk4 h ALA 79 Ca 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mk4 h ALA 79 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3mk4 h ALA 79 CO -0.03 0.27 0.31 -0.07 0.00 0.00 0.00 179.25 179.74 3mk4 h LEU 80 N 0.56 0.54 -0.63 0.00 3.38 -1.10 -1.29 115.31 116.78 3mk4 h LEU 80 Ca 0.13 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3mk4 h LEU 80 Cb 0.35 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3mk4 h LEU 80 CO 0.00 0.40 0.12 0.24 0.09 0.00 0.00 178.44 179.29 3mk4 h MET 81 N 0.64 1.03 -0.50 1.13 2.86 -1.21 0.21 114.93 119.09 3mk4 h MET 81 Ca 0.17 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 3mk4 h MET 81 Cb -0.07 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 3mk4 h MET 81 CO -0.04 0.95 0.09 1.96 1.06 0.00 0.00 176.91 180.94 3mk4 h GLN 82 N 0.94 0.82 0.00 1.72 4.20 -1.23 -2.47 115.11 119.09 3mk4 h GLN 82 Ca 0.19 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3mk4 h GLN 82 Cb 0.41 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3mk4 h GLN 82 CO 0.01 0.81 -0.39 1.96 -0.67 0.00 0.00 178.83 180.55 3mk4 h GLN 83 N 0.70 0.00 -2.09 1.46 4.20 -1.03 -3.37 115.11 114.98 3mk4 h GLN 83 Ca 0.15 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.29 3mk4 h GLN 83 Cb 0.38 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.76 3mk4 h GLN 83 CO 0.01 0.06 -0.94 1.28 -0.67 0.00 0.00 178.83 178.57 3mk4 n LEU 84 N -2.98 1.28 -4.45 1.46 4.77 0.71 -5.06 117.00 112.72 3mk4 n LEU 84 Ca 0.02 -4.91 -0.44 0.00 -0.03 0.00 0.00 56.01 50.65 3mk4 n LEU 84 Cb 0.57 0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.86 3mk4 n LEU 84 CO 0.37 2.05 1.09 0.21 -1.33 0.00 0.00 177.39 179.78 3mk4 s ASN 85 N -1.53 6.74 0.27 -1.43 3.84 -0.93 -4.54 114.94 117.36 3mk4 s ASN 85 Ca 0.36 -2.29 -0.01 0.00 0.21 0.00 0.00 52.86 51.14 3mk4 s ASN 85 Cb 0.15 -2.40 0.37 0.00 -0.55 0.00 0.00 41.25 38.83 3mk4 s ASN 85 CO -0.08 -0.98 1.76 0.28 -2.79 0.00 0.00 177.10 175.28 3mk4 h SER 86 N 8.40 0.68 0.87 -4.21 0.02 -1.94 -3.28 113.55 114.08 3mk4 h SER 86 Ca 0.20 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3mk4 h SER 86 Cb 0.99 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 3mk4 h SER 86 CO 1.14 0.79 -0.16 -0.33 -1.14 0.00 0.00 176.83 177.13 3mk4 h GLU 87 N 0.64 0.00 -0.19 3.45 3.07 -1.92 -0.53 114.58 119.11 3mk4 h GLU 87 Ca 0.12 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.82 3mk4 h GLU 87 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3mk4 h GLU 87 CO 0.03 0.16 -0.51 0.77 -1.40 0.00 0.00 179.01 178.05 3mk4 h SER 88 N 0.00 0.77 -0.49 1.42 0.02 -1.98 -2.59 113.55 110.71 3mk4 h SER 88 Ca -0.00 -0.58 -0.06 0.00 -0.84 0.00 0.00 61.79 60.30 3mk4 h SER 88 Cb 0.63 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3mk4 h SER 88 CO 0.02 1.22 0.06 -0.07 -1.14 0.00 0.00 176.83 176.92 3mk4 h LEU 89 N 0.37 0.79 -0.76 5.07 3.38 -1.43 -2.42 115.31 120.31 3mk4 h LEU 89 Ca -0.01 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.78 3mk4 h LEU 89 Cb 1.13 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 3mk4 h LEU 89 CO 0.11 0.87 0.40 0.74 0.09 0.00 0.00 178.44 180.65 3mk4 h THR 90 N 0.69 0.85 -0.80 0.22 2.02 -1.21 -1.87 112.91 112.81 3mk4 h THR 90 Ca 0.15 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.10 3mk4 h THR 90 Cb 0.43 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 3mk4 h THR 90 CO 0.01 0.12 0.52 0.00 0.37 0.00 0.00 175.52 176.55 3mk4 h ALA 91 N 1.45 1.01 -0.50 6.16 0.00 -1.03 -0.42 119.26 125.94 3mk4 h ALA 91 Ca 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3mk4 h ALA 91 Cb 0.40 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3mk4 h ALA 91 CO -0.27 0.43 0.25 -0.07 0.00 0.00 0.00 179.25 179.58 3mk4 h LEU 92 N 1.08 0.64 -0.71 0.00 3.38 -0.99 -2.92 115.31 115.78 3mk4 h LEU 92 Ca 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3mk4 h LEU 92 Cb -0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3mk4 h LEU 92 CO -0.06 0.58 0.40 -0.07 0.09 0.00 0.00 178.44 179.37 3mk4 h LEU 93 N 0.66 0.89 -0.44 1.67 3.38 -0.81 -0.62 115.31 120.03 3mk4 h LEU 93 Ca 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3mk4 h LEU 93 Cb 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3mk4 h LEU 93 CO -0.02 0.72 0.00 0.29 0.09 0.00 0.00 178.44 179.52 3mk4 n LYS 94 N -4.49 0.71 -2.64 1.13 5.02 -0.22 -3.45 118.16 114.22 3mk4 n LYS 94 Ca 0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 3mk4 n LYS 94 Cb 0.09 -1.16 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 3mk4 n LYS 94 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mk4 n ASN 95 N -0.21 2.23 -3.65 4.39 5.03 -0.24 -5.04 115.26 117.77 3mk4 n ASN 95 Ca 0.00 -2.65 -0.30 0.00 0.87 0.00 0.00 54.58 52.50 3mk4 n ASN 95 Cb 0.08 -0.48 0.04 0.00 -1.02 0.00 0.00 39.78 38.40 3mk4 n ASN 95 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3mk4 n ARG 96 N -0.40 -1.26 -3.79 3.52 0.63 -1.22 -4.94 116.66 109.20 3mk4 n ARG 96 Ca 0.15 0.51 -0.24 0.00 -0.92 0.00 0.00 57.85 57.36 3mk4 n ARG 96 Cb 0.81 -4.18 -0.02 0.00 0.45 0.00 0.00 32.46 29.52 3mk4 n ARG 96 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3mk4 s PRO 97 N -5.79 3.47 0.84 -0.14 0.04 -1.26 -5.10 135.00 127.05 3mk4 s PRO 97 Ca 0.45 -0.56 -0.11 0.00 0.04 0.00 0.00 61.00 60.82 3mk4 s PRO 97 Cb -0.16 -2.85 0.13 0.00 0.04 0.00 0.00 34.50 31.67 3mk4 s PRO 97 CO 0.85 0.38 1.18 0.45 0.04 0.00 0.00 177.00 179.91 3mk4 s SER 98 N -3.70 3.96 -1.82 6.66 0.15 -1.26 -4.22 113.70 113.47 3mk4 s SER 98 Ca 0.36 0.34 -0.20 0.00 0.70 0.00 0.00 55.95 57.15 3mk4 s SER 98 Cb -0.10 -0.67 0.20 0.00 -1.71 0.00 0.00 66.02 63.74 3mk4 s SER 98 CO 0.30 -2.18 0.56 -0.46 1.20 0.00 0.00 173.24 172.66 3mk4 n ASN 99 N -3.36 -1.71 -0.25 5.45 0.23 -1.26 -4.86 115.26 109.50 3mk4 n ASN 99 Ca 0.12 -1.22 0.15 0.00 -0.53 0.00 0.00 54.58 53.11 3mk4 n ASN 99 Cb 0.60 -1.79 0.44 0.00 -2.08 0.00 0.00 39.78 36.95 3mk4 n ASN 99 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3mk4 h LYS 100 N -1.08 0.54 0.00 -3.83 3.64 -2.01 -1.25 116.57 112.58 3mk4 h LYS 100 Ca -0.61 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 58.62 3mk4 h LYS 100 Cb 1.39 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 3mk4 h LYS 100 CO 0.86 0.36 -0.59 -0.07 -2.27 0.00 0.00 179.45 177.73 3mk4 h LEU 101 N 0.55 0.00 -0.59 5.20 -0.00 -1.95 -2.50 115.31 116.02 3mk4 h LEU 101 Ca 0.46 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 58.20 3mk4 h LEU 101 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.57 3mk4 h LEU 101 CO -0.20 0.59 -0.30 -0.33 -0.00 0.00 0.00 178.44 178.20 3mk4 h GLU 102 N 0.00 0.79 -0.36 1.13 5.08 -1.61 -1.58 114.58 118.03 3mk4 h GLU 102 Ca -0.01 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 3mk4 h GLU 102 Cb 1.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3mk4 h GLU 102 CO 0.08 0.99 0.06 0.82 -1.00 0.00 0.00 179.01 179.96 3mk4 h ILE 103 N 0.67 1.24 -0.69 3.13 2.04 -1.42 -2.13 117.51 120.36 3mk4 h ILE 103 Ca 0.08 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 3mk4 h ILE 103 Cb 0.84 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3mk4 h ILE 103 CO 0.07 0.28 0.19 -0.50 0.00 0.00 0.00 178.15 178.19 3mk4 h TRP 104 N 0.44 1.12 -0.23 1.37 4.06 -1.39 0.58 115.95 121.89 3mk4 h TRP 104 Ca 0.11 -0.12 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 3mk4 h TRP 104 Cb 0.35 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 3mk4 h TRP 104 CO 0.02 0.90 -0.23 0.93 -3.56 0.00 0.00 178.44 176.51 3mk4 h GLU 105 N 1.03 0.43 0.06 0.49 4.39 -1.27 0.37 114.58 120.08 3mk4 h GLU 105 Ca 0.22 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 3mk4 h GLU 105 Cb 0.33 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3mk4 h GLU 105 CO -0.00 0.64 -0.03 0.22 -1.16 0.00 0.00 179.01 178.68 3mk4 h ASP 106 N 0.39 -0.06 -0.95 1.42 1.82 -0.86 -2.81 116.42 115.36 3mk4 h ASP 106 Ca 0.06 -0.18 0.09 0.00 -0.39 0.00 0.00 57.03 56.61 3mk4 h ASP 106 Cb 0.61 0.02 -0.07 0.00 0.68 0.00 0.00 39.33 40.57 3mk4 h ASP 106 CO 0.04 0.14 0.61 -0.07 -1.61 0.00 0.00 179.24 178.36 3mk4 h LEU 107 N -0.27 0.92 -0.38 2.28 3.38 -0.55 0.59 115.31 121.28 3mk4 h LEU 107 Ca -0.01 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3mk4 h LEU 107 Cb 0.24 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3mk4 h LEU 107 CO 0.01 0.55 0.03 0.50 0.09 0.00 0.00 178.44 179.62 3mk4 h LYS 108 N 1.02 0.13 -0.05 1.13 3.64 -0.80 -1.08 116.57 120.55 3mk4 h LYS 108 Ca 0.43 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.74 3mk4 h LYS 108 Cb 0.31 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3mk4 h LYS 108 CO -0.19 0.09 -0.21 0.82 -2.27 0.00 0.00 179.45 177.69 3mk4 h ILE 109 N 0.14 1.45 -0.51 2.00 1.08 -1.10 -3.22 117.51 117.36 3mk4 h ILE 109 Ca 0.19 -1.64 -0.03 0.00 -0.39 0.00 0.00 64.86 62.99 3mk4 h ILE 109 Cb 0.25 2.37 -0.02 0.00 -3.07 0.00 0.00 36.82 36.35 3mk4 h ILE 109 CO -0.29 0.46 0.21 0.40 -0.69 0.00 0.00 178.15 178.24 3mk4 h ILE 110 N -0.29 1.21 -0.04 -0.67 1.08 -0.79 -1.06 117.51 116.94 3mk4 h ILE 110 Ca -0.01 -0.64 -0.00 0.00 -0.39 0.00 0.00 64.86 63.81 3mk4 h ILE 110 Cb 0.86 0.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.29 3mk4 h ILE 110 CO 0.04 0.25 0.03 0.77 -0.69 0.00 0.00 178.15 178.55 3mk4 h SER 111 N 0.68 0.05 0.06 1.72 4.64 -1.32 0.15 113.55 119.53 3mk4 h SER 111 Ca 0.17 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 3mk4 h SER 111 Cb 0.18 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3mk4 h SER 111 CO -0.02 0.07 -0.37 -0.26 -0.87 0.00 0.00 176.83 175.39 3mk4 h PHE 112 N 0.02 0.49 -0.22 4.77 0.04 -1.55 -2.63 116.94 117.85 3mk4 h PHE 112 Ca 0.01 -0.13 -0.07 0.00 2.80 0.00 0.00 57.97 60.59 3mk4 h PHE 112 Cb 0.03 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 3mk4 h PHE 112 CO -0.06 0.73 -0.14 1.15 -0.60 0.00 0.00 178.31 179.39 3mk4 h THR 113 N 0.35 1.31 -0.55 -1.55 2.02 -0.91 -1.80 112.91 111.78 3mk4 h THR 113 Ca 0.04 -1.25 -0.05 0.00 0.77 0.00 0.00 66.41 65.91 3mk4 h THR 113 Cb 0.81 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3mk4 h THR 113 CO 0.07 0.38 0.13 -0.09 0.37 0.00 0.00 175.52 176.38 3mk4 h ARG 114 N 0.18 0.89 -0.14 6.66 2.43 -0.63 0.31 114.38 124.08 3mk4 h ARG 114 Ca 0.04 -0.21 -0.18 0.00 -0.81 0.00 0.00 59.98 58.82 3mk4 h ARG 114 Cb 0.66 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3mk4 h ARG 114 CO 0.04 0.83 -0.65 0.77 -1.51 0.00 0.00 179.97 179.45 3mk4 h SER 115 N 0.79 0.59 -0.19 -3.80 0.02 -1.52 0.38 113.55 109.82 3mk4 h SER 115 Ca 0.17 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 3mk4 h SER 115 Cb 0.35 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3mk4 h SER 115 CO 0.00 1.09 0.04 0.74 -1.14 0.00 0.00 176.83 177.56 3mk4 h THR 116 N 0.37 1.21 -0.33 -2.27 2.02 -1.13 -2.86 112.91 109.93 3mk4 h THR 116 Ca -0.01 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 3mk4 h THR 116 Cb 1.21 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 3mk4 h THR 116 CO 0.12 0.21 -0.02 0.58 0.37 0.00 0.00 175.52 176.78 3mk4 h VAL 117 N 0.11 1.20 -0.86 3.16 2.07 -0.93 -2.64 116.25 118.35 3mk4 h VAL 117 Ca 0.06 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.82 3mk4 h VAL 117 Cb 0.29 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3mk4 h VAL 117 CO 0.00 0.27 0.56 0.00 0.02 0.00 0.00 177.57 178.43 3mk4 h ALA 118 N 1.50 1.50 -0.02 1.67 0.00 -0.74 -0.87 119.26 122.29 3mk4 h ALA 118 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3mk4 h ALA 118 Cb 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mk4 h ALA 118 CO 0.01 0.40 -0.12 0.28 0.00 0.00 0.00 179.25 179.83 3mk4 h VAL 119 N 1.03 1.52 -0.23 0.00 2.07 -1.27 -2.72 116.25 116.66 3mk4 h VAL 119 Ca 0.35 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 66.22 3mk4 h VAL 119 Cb 0.10 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 3mk4 h VAL 119 CO -0.11 0.45 0.00 1.88 0.02 0.00 0.00 177.57 179.81 3mk4 h TYR 120 N -0.53 -0.01 -0.07 1.57 -1.99 -1.30 -2.50 116.97 112.15 3mk4 h TYR 120 Ca -0.01 0.02 -0.20 0.00 2.00 0.00 0.00 58.73 60.54 3mk4 h TYR 120 Cb 0.80 0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.57 3mk4 h TYR 120 CO 0.16 -0.03 -0.78 0.66 -0.00 0.00 0.00 178.16 178.17 3mk4 h SER 121 N 0.07 0.54 -0.62 3.88 4.64 -1.25 -0.73 113.55 120.08 3mk4 h SER 121 Ca 0.11 -0.37 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 3mk4 h SER 121 Cb 0.13 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 3mk4 h SER 121 CO -0.18 1.13 0.29 0.74 -0.87 0.00 0.00 176.83 177.94 3mk4 h THR 122 N 0.29 1.22 -0.35 2.95 2.02 -1.49 0.20 112.91 117.75 3mk4 h THR 122 Ca -0.04 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 3mk4 h THR 122 Cb 1.37 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3mk4 h THR 122 CO 0.14 0.26 -0.09 0.00 0.37 0.00 0.00 175.52 176.20 3mk4 h MET 124 N 0.47 0.95 -0.06 0.00 2.86 -1.01 -1.92 114.93 116.22 3mk4 h MET 124 Ca 0.09 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3mk4 h MET 124 Cb 0.59 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3mk4 h MET 124 CO 0.03 0.88 -0.06 1.25 1.06 0.00 0.00 176.91 180.08 3mk4 h LEU 125 N 0.90 -0.19 -0.17 1.22 5.85 -0.45 0.28 115.31 122.75 3mk4 h LEU 125 Ca 0.18 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3mk4 h LEU 125 Cb 0.39 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3mk4 h LEU 125 CO 0.01 -0.09 0.02 0.58 -0.34 0.00 0.00 178.44 178.63 3mk4 h VAL 126 N -0.08 1.23 0.00 1.05 2.07 -1.25 -2.08 116.25 117.19 3mk4 h VAL 126 Ca 0.05 -0.74 -0.19 0.00 0.82 0.00 0.00 66.70 66.64 3mk4 h VAL 126 Cb 0.14 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3mk4 h VAL 126 CO -0.11 0.22 -0.85 0.58 0.02 0.00 0.00 177.57 177.43 3mk4 h VAL 127 N 0.07 1.53 -0.31 2.57 2.07 -1.30 -1.75 116.25 119.13 3mk4 h VAL 127 Ca 0.05 -2.68 -0.13 0.00 0.82 0.00 0.00 66.70 64.76 3mk4 h VAL 127 Cb 0.32 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3mk4 h VAL 127 CO 0.00 0.78 -0.31 0.25 0.02 0.00 0.00 177.57 178.31 3mk4 h LEU 128 N 0.07 0.80 -0.86 2.57 5.85 -0.97 -1.51 115.31 121.25 3mk4 h LEU 128 Ca -0.03 -0.47 -0.07 0.00 0.84 0.00 0.00 57.88 58.15 3mk4 h LEU 128 Cb 1.48 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3mk4 h LEU 128 CO 0.12 1.11 0.08 -0.07 -0.34 0.00 0.00 178.44 179.34 3mk4 h LEU 129 N 0.51 0.88 -0.73 2.25 3.38 -1.34 -0.40 115.31 119.85 3mk4 h LEU 129 Ca 0.05 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3mk4 h LEU 129 Cb 0.88 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 3mk4 h LEU 129 CO 0.08 0.89 0.46 0.03 0.09 0.00 0.00 178.44 179.99 3mk4 h ARG 130 N 0.87 0.85 0.69 1.13 2.47 -1.22 -1.34 114.38 117.83 3mk4 h ARG 130 Ca 0.18 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 3mk4 h ARG 130 Cb 0.40 -0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.54 3mk4 h ARG 130 CO 0.01 0.56 -0.33 0.28 0.56 0.00 0.00 179.97 181.05 3mk4 h VAL 131 N 0.88 0.22 -0.11 2.04 2.07 -0.86 -2.93 116.25 117.56 3mk4 h VAL 131 Ca 0.30 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.66 3mk4 h VAL 131 Cb 0.05 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3mk4 h VAL 131 CO -0.12 0.02 -0.05 1.56 0.02 0.00 0.00 177.57 179.00 3mk4 h GLN 132 N -1.08 -0.03 0.00 1.57 4.20 -1.03 0.18 115.11 118.92 3mk4 h GLN 132 Ca -0.10 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 3mk4 h GLN 132 Cb 0.74 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3mk4 h GLN 132 CO 0.16 -0.02 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.00 3mk4 h LEU 133 N -0.03 0.00 0.00 1.46 4.07 -1.35 -0.40 115.31 119.06 3mk4 h LEU 133 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3mk4 h LEU 133 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 3mk4 h LEU 133 CO -0.13 0.23 -1.07 0.59 -1.08 0.00 0.00 178.44 176.98 3mk4 n ASN 134 N -4.13 0.77 0.18 -0.43 3.02 -1.06 -0.81 115.26 112.80 3mk4 n ASN 134 Ca -0.02 0.27 -0.10 0.00 -0.03 0.00 0.00 54.58 54.70 3mk4 n ASN 134 Cb 0.29 0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 39.98 3mk4 n ASN 134 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3mk4 h ILE 135 N 0.00 0.22 -0.69 2.41 2.04 -0.60 -1.88 117.51 119.01 3mk4 h ILE 135 Ca 0.00 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 3mk4 h ILE 135 Cb 0.98 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3mk4 h ILE 135 CO 0.00 0.05 0.26 -0.29 0.00 0.00 0.00 178.15 178.17 3mk4 h ILE 136 N -1.07 1.24 -1.00 -0.67 6.09 -1.21 -2.13 117.51 118.76 3mk4 h ILE 136 Ca -0.05 -0.78 0.04 0.00 -1.37 0.00 0.00 64.86 62.70 3mk4 h ILE 136 Cb 0.49 0.44 -0.06 0.00 0.47 0.00 0.00 36.82 38.15 3mk4 h ILE 136 CO 0.09 0.31 0.65 1.23 -3.07 0.00 0.00 178.15 177.36 3mk4 h GLY 137 N 1.08 1.47 0.66 8.18 0.00 -1.07 0.12 103.07 113.51 3mk4 h GLY 137 Ca 0.23 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 47.10 3mk4 h GLY 137 CO -0.02 0.41 -0.06 -1.33 0.00 0.00 0.00 176.54 175.54 3mk4 h GLY 138 N 1.24 0.08 0.96 4.60 0.00 -0.69 0.88 103.07 110.14 3mk4 h GLY 138 Ca 0.40 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.76 3mk4 h GLY 138 CO -0.13 -0.07 0.11 -0.97 0.00 0.00 0.00 176.54 175.47 3mk4 h TYR 139 N -0.03 0.79 -0.80 5.60 -1.99 -0.92 -2.09 116.97 117.53 3mk4 h TYR 139 Ca 0.08 -0.10 0.04 0.00 2.00 0.00 0.00 58.73 60.75 3mk4 h TYR 139 Cb 0.15 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.61 3mk4 h TYR 139 CO -0.20 0.72 0.52 0.82 -0.00 0.00 0.00 178.16 180.03 3mk4 h ILE 140 N 0.63 1.10 -0.23 -2.88 2.04 -0.60 -1.29 117.51 116.28 3mk4 h ILE 140 Ca 0.15 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 3mk4 h ILE 140 Cb 0.34 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3mk4 h ILE 140 CO 0.00 0.17 -0.27 0.22 0.00 0.00 0.00 178.15 178.28 3mk4 h TYR 141 N 0.95 0.50 0.22 1.37 3.20 -0.49 -3.26 116.97 119.47 3mk4 h TYR 141 Ca 0.32 -0.11 -0.33 0.00 3.14 0.00 0.00 58.73 61.76 3mk4 h TYR 141 Cb 0.09 -0.12 0.04 0.00 1.54 0.00 0.00 36.73 38.27 3mk4 h TYR 141 CO -0.00 0.68 -1.41 -0.07 -1.64 0.00 0.00 178.16 175.72 3mk4 h LEU 142 N 0.40 0.84 -0.22 2.82 3.38 -0.71 -3.15 115.31 118.66 3mk4 h LEU 142 Ca 0.06 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.16 3mk4 h LEU 142 Cb 0.68 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3mk4 h LEU 142 CO 0.05 1.67 0.21 0.47 0.09 0.00 0.00 178.44 180.93 3mk4 n ASP 143 N -3.73 0.09 -4.25 -0.43 8.00 -0.55 -2.87 116.55 112.80 3mk4 n ASP 143 Ca -0.16 0.38 -0.44 0.00 0.71 0.00 0.00 54.79 55.28 3mk4 n ASP 143 Cb 1.07 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 3mk4 n ASP 143 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mk4 n ASN 144 N -1.50 5.34 0.00 -2.24 3.02 -1.19 -5.02 115.26 113.67 3mk4 n ASN 144 Ca -0.00 -3.06 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 3mk4 n ASN 144 Cb 0.21 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 37.89 3mk4 n ASN 144 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mk4 n ALA 145 N 4.37 1.08 -0.02 5.41 0.00 -1.14 -5.06 120.51 125.15 3mk4 n ALA 145 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.57 3mk4 n ALA 145 Cb 0.40 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 3mk4 n ALA 145 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3mk4 h THR 152 N 0.00 0.73 -3.58 0.00 1.35 -2.04 -3.54 112.91 105.83 3mk4 h THR 152 Ca 0.00 -2.30 -0.62 0.00 -0.55 0.00 0.00 66.41 62.94 3mk4 h THR 152 Cb 0.00 2.44 -0.12 0.00 -1.73 0.00 0.00 68.15 68.74 3mk4 h THR 152 CO 0.00 0.72 0.39 0.42 -0.25 0.00 0.00 175.52 176.80 3mk4 s THR 153 N -2.50 4.67 0.00 6.82 -4.23 -1.26 -5.02 115.64 114.12 3mk4 s THR 153 Ca -0.24 0.69 -0.30 0.00 -1.18 0.00 0.00 61.69 60.65 3mk4 s THR 153 Cb 0.06 -4.28 -0.05 0.00 1.34 0.00 0.00 72.50 69.57 3mk4 s THR 153 CO 0.72 -0.60 1.30 -0.63 -0.54 0.00 0.00 174.62 174.88 3mk4 s ILE 154 N 3.26 3.90 -0.10 2.99 -1.09 -1.26 -4.96 121.20 123.94 3mk4 s ILE 154 Ca 0.31 1.29 -0.25 0.00 -2.23 0.00 0.00 60.65 59.78 3mk4 s ILE 154 Cb -0.12 -3.83 -0.21 0.00 -1.58 0.00 0.00 42.46 36.71 3mk4 s ILE 154 CO 0.20 0.02 0.83 -0.07 -1.23 0.00 0.00 174.94 174.69 3mk4 h LEU 155 N 7.89 -0.03 -6.59 2.97 3.38 -1.95 -3.41 115.31 117.57 3mk4 h LEU 155 Ca -0.38 -0.72 -0.63 0.00 0.09 0.00 0.00 57.88 56.24 3mk4 h LEU 155 Cb 1.18 0.01 -0.41 0.00 0.09 0.00 0.00 40.66 41.53 3mk4 h LEU 155 CO 0.88 0.77 -0.45 0.00 0.09 0.00 0.00 178.44 179.72 3mk4 n ALA 156 N -2.56 3.94 -1.48 1.53 0.00 -1.26 -4.98 120.51 115.70 3mk4 n ALA 156 Ca -0.09 -4.70 -0.29 0.00 0.00 0.00 0.00 53.44 48.36 3mk4 n ALA 156 Cb 0.36 -1.10 0.12 0.00 0.00 0.00 0.00 19.45 18.83 3mk4 n ALA 156 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mk4 s PRO 157 N -2.13 1.56 0.42 0.00 0.04 -1.26 -4.66 135.00 128.97 3mk4 s PRO 157 Ca 0.34 0.54 0.24 0.00 0.04 0.00 0.00 61.00 62.15 3mk4 s PRO 157 Cb 0.07 -1.87 1.24 0.00 0.04 0.00 0.00 34.50 33.99 3mk4 s PRO 157 CO -0.06 -1.96 1.72 -1.35 0.04 0.00 0.00 177.00 175.39 3mk4 h PRO 158 N -1.33 0.25 -0.01 0.56 0.11 -1.98 0.07 132.00 129.66 3mk4 h PRO 158 Ca -0.49 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.42 3mk4 h PRO 158 Cb 1.30 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3mk4 h PRO 158 CO 0.59 0.17 -0.82 0.38 -0.21 0.00 0.00 178.00 178.11 3mk4 h ASP 159 N 0.26 0.24 -0.29 -2.05 -0.00 -1.99 -1.74 116.42 110.85 3mk4 h ASP 159 Ca 0.67 -0.18 -0.18 0.00 -0.00 0.00 0.00 57.03 57.34 3mk4 h ASP 159 Cb 1.92 -0.07 0.00 0.00 -0.00 0.00 0.00 39.33 41.18 3mk4 h ASP 159 CO -0.32 0.96 -0.51 0.58 -0.00 0.00 0.00 179.24 179.95 3mk4 h VAL 160 N 0.11 1.28 -0.82 4.15 2.07 -1.35 -1.95 116.25 119.75 3mk4 h VAL 160 Ca -0.03 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 65.83 3mk4 h VAL 160 Cb 1.42 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 3mk4 h VAL 160 CO 0.12 0.55 0.52 1.56 0.02 0.00 0.00 177.57 180.35 3mk4 h GLN 161 N 0.63 0.97 0.03 1.57 4.20 -1.30 -0.82 115.11 120.38 3mk4 h GLN 161 Ca 0.02 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3mk4 h GLN 161 Cb 1.11 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3mk4 h GLN 161 CO 0.11 0.64 -0.01 1.96 -0.67 0.00 0.00 178.83 180.86 3mk4 h GLN 162 N 1.00 -0.03 -0.13 1.46 7.50 -1.27 -1.97 115.11 121.67 3mk4 h GLN 162 Ca 0.33 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.42 3mk4 h GLN 162 Cb 0.04 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 3mk4 h GLN 162 CO -0.13 0.40 -0.21 0.37 -1.50 0.00 0.00 178.83 177.76 3mk4 h GLN 163 N -0.47 0.22 -0.06 1.46 4.15 -1.26 -1.30 115.11 117.86 3mk4 h GLN 163 Ca -0.00 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 3mk4 h GLN 163 Cb 0.44 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.11 3mk4 h GLN 163 CO 0.01 0.43 -0.14 -0.92 -1.93 0.00 0.00 178.83 176.28 3mk4 h TYR 164 N 0.20 0.24 0.00 3.99 3.20 -1.17 -3.26 116.97 120.19 3mk4 h TYR 164 Ca 0.04 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 3mk4 h TYR 164 Cb 0.49 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3mk4 h TYR 164 CO 0.01 0.74 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.97 3mk4 h LEU 165 N -0.32 0.00 -0.72 2.82 3.38 -1.20 -2.36 115.31 116.91 3mk4 h LEU 165 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mk4 h LEU 165 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3mk4 h LEU 165 CO 0.03 0.23 0.00 -1.54 0.09 0.00 0.00 178.44 177.25 3mk4 n SER 166 N -4.07 0.50 0.18 -0.43 3.41 -0.50 -2.37 113.62 110.34 3mk4 n SER 166 Ca -0.02 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.37 3mk4 n SER 166 Cb 0.30 -0.75 0.65 0.00 -0.26 0.00 0.00 64.21 64.15 3mk4 n SER 166 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3mk4 h SER 167 N 0.00 0.00 -0.38 4.04 4.64 -1.52 -2.50 113.55 117.83 3mk4 h SER 167 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 3mk4 h SER 167 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3mk4 h SER 167 CO 0.00 0.00 0.28 -0.29 -0.87 0.00 0.00 176.83 175.95 3mk4 h ILE 168 N 0.00 0.76 -0.53 0.95 6.09 -1.70 -2.56 117.51 120.52 3mk4 h ILE 168 Ca 0.00 0.00 0.14 0.00 -1.37 0.00 0.00 64.86 63.63 3mk4 h ILE 168 Cb 0.09 0.80 -0.10 0.00 0.47 0.00 0.00 36.82 38.08 3mk4 h ILE 168 CO 0.00 0.00 -0.03 1.67 -3.07 0.00 0.00 178.15 176.72 3mk4 n GLN 169 N -4.34 -0.04 -0.16 2.19 0.00 -0.94 -2.21 117.38 111.87 3mk4 n GLN 169 Ca 0.06 0.80 -0.09 0.00 -0.00 0.00 0.00 57.00 57.77 3mk4 n GLN 169 Cb 0.47 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.46 3mk4 n GLN 169 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3mk4 h HIS 170 N 0.00 0.78 -0.45 3.69 2.76 -1.72 0.09 115.15 120.30 3mk4 h HIS 170 Ca 0.30 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.36 3mk4 h HIS 170 Cb 0.59 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 3mk4 h HIS 170 CO -0.31 0.70 0.17 1.25 -1.30 0.00 0.00 177.93 178.44 3mk4 h LEU 171 N 0.63 0.59 -0.74 0.26 5.85 -1.59 0.11 115.31 120.42 3mk4 h LEU 171 Ca 0.15 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3mk4 h LEU 171 Cb 0.30 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3mk4 h LEU 171 CO -0.00 0.55 -0.12 0.18 -0.34 0.00 0.00 178.44 178.71 3mk4 n LEU 172 N -4.35 1.26 0.00 2.25 4.77 -1.02 -2.87 117.00 117.04 3mk4 n LEU 172 Ca 0.03 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3mk4 n LEU 172 Cb 0.16 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3mk4 n LEU 172 CO 0.38 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3mk4 n GLY 173 N 1.25 1.64 0.31 -0.72 0.00 -0.01 -4.79 105.19 102.86 3mk4 n GLY 173 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.19 3mk4 n GLY 173 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mk4 h ASP 174 N 0.00 0.55 -0.44 1.61 3.32 -1.76 -2.39 116.42 117.31 3mk4 h ASP 174 Ca 0.00 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3mk4 h ASP 174 Cb 0.00 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3mk4 h ASP 174 CO 0.00 0.44 0.22 1.23 -1.72 0.00 0.00 179.24 179.41 3mk4 h GLY 175 N 0.70 0.68 1.00 2.75 0.00 -1.06 -1.91 103.07 105.23 3mk4 h GLY 175 Ca 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3mk4 h GLY 175 CO -0.03 0.31 0.41 -2.00 0.00 0.00 0.00 176.54 175.23 3mk4 h LEU 176 N 0.57 0.86 -0.35 3.11 5.85 -1.29 0.10 115.31 124.17 3mk4 h LEU 176 Ca 0.15 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3mk4 h LEU 176 Cb 0.11 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3mk4 h LEU 176 CO -0.02 0.69 0.06 0.74 -0.34 0.00 0.00 178.44 179.57 3mk4 h THR 177 N 0.97 1.23 -0.90 1.05 2.02 -1.38 0.23 112.91 116.13 3mk4 h THR 177 Ca 0.25 -0.82 0.04 0.00 0.77 0.00 0.00 66.41 66.65 3mk4 h THR 177 Cb 0.00 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 3mk4 h THR 177 CO -0.04 0.27 0.58 -0.33 0.37 0.00 0.00 175.52 176.37 3mk4 h GLU 178 N 0.41 1.09 -0.55 6.66 5.08 -1.10 -0.66 114.58 125.51 3mk4 h GLU 178 Ca 0.11 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3mk4 h GLU 178 Cb 0.34 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3mk4 h GLU 178 CO 0.01 0.72 0.14 1.25 -1.00 0.00 0.00 179.01 180.13 3mk4 h LEU 179 N 1.12 0.83 -0.08 1.33 5.85 -0.36 -2.25 115.31 121.74 3mk4 h LEU 179 Ca 0.36 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3mk4 h LEU 179 Cb 0.01 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 3mk4 h LEU 179 CO -0.12 0.84 0.04 0.40 -0.34 0.00 0.00 178.44 179.26 3mk4 h ILE 180 N 0.78 1.09 -0.86 4.05 2.04 -0.19 -1.50 117.51 122.91 3mk4 h ILE 180 Ca 0.17 -0.24 0.14 0.00 1.00 0.00 0.00 64.86 65.94 3mk4 h ILE 180 Cb 0.32 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.41 3mk4 h ILE 180 CO -0.00 0.07 0.46 0.74 0.00 0.00 0.00 178.15 179.42 3mk4 h THR 181 N 0.04 0.75 -0.03 -0.27 2.02 -0.98 0.10 112.91 114.55 3mk4 h THR 181 Ca 0.03 -0.23 -0.19 0.00 0.77 0.00 0.00 66.41 66.79 3mk4 h THR 181 Cb 0.08 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.53 3mk4 h THR 181 CO -0.00 0.12 -0.73 0.58 0.37 0.00 0.00 175.52 175.86 3mk4 h VAL 182 N 0.67 1.36 -0.32 3.16 2.07 -1.13 -2.60 116.25 119.45 3mk4 h VAL 182 Ca 0.47 -2.08 -0.10 0.00 0.82 0.00 0.00 66.70 65.80 3mk4 h VAL 182 Cb 0.63 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 3mk4 h VAL 182 CO -0.35 0.62 -0.22 0.40 0.02 0.00 0.00 177.57 178.05 3mk4 h ILE 183 N 0.12 1.27 -0.52 4.57 2.04 -1.02 -2.56 117.51 121.40 3mk4 h ILE 183 Ca -0.08 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.47 3mk4 h ILE 183 Cb 1.41 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 3mk4 h ILE 183 CO 0.15 0.41 0.20 0.50 0.00 0.00 0.00 178.15 179.41 3mk4 h LYS 184 N 0.55 0.79 -0.80 2.37 3.64 -0.77 0.41 116.57 122.76 3mk4 h LYS 184 Ca 0.08 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3mk4 h LYS 184 Cb 0.67 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 3mk4 h LYS 184 CO 0.05 0.70 0.52 1.96 -2.27 0.00 0.00 179.45 180.41 3mk4 h GLN 185 N 0.71 0.98 -0.32 1.90 4.20 -1.44 -0.52 115.11 120.61 3mk4 h GLN 185 Ca 0.17 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.65 3mk4 h GLN 185 Cb 0.22 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3mk4 h GLN 185 CO -0.01 0.65 -0.48 0.00 -0.67 0.00 0.00 178.83 178.31 3mk4 h ALA 186 N 1.33 0.52 -0.36 3.87 0.00 -0.97 -1.31 119.26 122.34 3mk4 h ALA 186 Ca 0.32 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3mk4 h ALA 186 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3mk4 h ALA 186 CO -0.11 0.68 -0.16 0.28 0.00 0.00 0.00 179.25 179.94 3mk4 h VAL 187 N 0.70 1.26 -0.61 0.00 2.07 -0.84 -2.16 116.25 116.67 3mk4 h VAL 187 Ca 0.03 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 3mk4 h VAL 187 Cb 1.09 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3mk4 h VAL 187 CO 0.11 0.40 0.11 -0.61 0.02 0.00 0.00 177.57 177.60 3mk4 h GLN 188 N 0.60 0.98 -0.24 1.57 5.75 -0.81 0.26 115.11 123.22 3mk4 h GLN 188 Ca 0.10 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.23 3mk4 h GLN 188 Cb 0.61 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 3mk4 h GLN 188 CO 0.04 0.90 -0.37 0.87 -2.65 0.00 0.00 178.83 177.62 3mk4 h LYS 189 N 0.93 0.53 0.14 1.69 1.57 -1.02 -0.08 116.57 120.33 3mk4 h LYS 189 Ca 0.19 -0.25 -0.30 0.00 -1.87 0.00 0.00 60.65 58.42 3mk4 h LYS 189 Cb 0.39 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3mk4 h LYS 189 CO 0.01 0.82 -1.49 0.28 -0.57 0.00 0.00 179.45 178.50 3mk4 h VAL 190 N 0.45 1.02 -0.13 0.50 2.07 -1.04 -3.38 116.25 115.73 3mk4 h VAL 190 Ca 0.04 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.13 3mk4 h VAL 190 Cb 0.85 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3mk4 h VAL 190 CO 0.07 0.75 0.00 0.18 0.02 0.00 0.00 177.57 178.59 3mk4 n LEU 191 N -3.83 2.53 0.16 2.57 4.77 0.89 -4.73 117.00 119.36 3mk4 n LEU 191 Ca -0.24 -1.25 -0.14 0.00 -0.03 0.00 0.00 56.01 54.34 3mk4 n LEU 191 Cb 0.95 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.88 3mk4 n LEU 191 CO 0.44 0.51 0.75 1.23 -1.33 0.00 0.00 177.39 179.00 3mk4 h GLY 192 N 2.96 -0.36 0.02 -0.72 0.00 -1.08 -2.92 103.07 100.97 3mk4 h GLY 192 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3mk4 h GLY 192 CO 0.00 -0.13 0.00 1.44 0.00 0.00 0.00 176.54 177.85 3mk4 n SER 193 N -5.21 0.57 -4.72 0.19 7.64 -1.26 -4.88 113.62 105.94 3mk4 n SER 193 Ca -0.10 -1.60 -0.38 0.00 1.01 0.00 0.00 58.87 57.81 3mk4 n SER 193 Cb 0.18 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 3mk4 n SER 193 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mk4 s VAL 194 N -1.92 5.19 0.58 0.44 1.01 -1.10 -5.05 120.40 119.55 3mk4 s VAL 194 Ca 0.26 0.95 -0.17 0.00 0.00 0.00 0.00 61.98 63.02 3mk4 s VAL 194 Cb 0.13 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3mk4 s VAL 194 CO 0.20 0.32 1.08 -0.55 0.00 0.00 0.00 175.10 176.15 3mk4 s SER 195 N 0.64 5.72 0.43 3.32 0.15 -1.26 -4.95 113.70 117.74 3mk4 s SER 195 Ca 0.26 1.94 0.29 0.00 0.70 0.00 0.00 55.95 59.14 3mk4 s SER 195 Cb -0.15 -2.55 1.14 0.00 -1.71 0.00 0.00 66.02 62.74 3mk4 s SER 195 CO 0.10 -1.21 1.86 -0.07 1.20 0.00 0.00 173.24 175.12 3mk4 h LEU 196 N 0.68 0.00 0.00 3.45 3.38 -1.96 -2.82 115.31 118.04 3mk4 h LEU 196 Ca -0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3mk4 h LEU 196 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 3mk4 h LEU 196 CO 0.57 0.00 -0.71 0.11 0.09 0.00 0.00 178.44 178.50 3mk4 h LYS 197 N 0.00 0.00 -6.20 1.13 1.57 -1.94 -1.10 116.57 110.03 3mk4 h LYS 197 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3mk4 h LYS 197 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.83 3mk4 h LYS 197 CO 0.00 0.01 1.04 1.58 -0.57 0.00 0.00 179.45 181.51 3mk4 n HIS 198 N -2.81 2.19 -3.00 -1.35 -0.00 -1.07 -4.53 115.22 104.65 3mk4 n HIS 198 Ca 0.01 0.23 -0.40 0.00 0.46 0.00 0.00 57.72 58.02 3mk4 n HIS 198 Cb 0.55 -2.58 -0.05 0.00 -0.12 0.00 0.00 29.99 27.80 3mk4 n HIS 198 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 3mk4 s SER 199 N 4.06 6.97 -0.07 0.26 1.04 -1.26 -0.55 113.70 124.15 3mk4 s SER 199 Ca 0.96 1.17 0.05 0.00 0.48 0.00 0.00 55.95 58.61 3mk4 s SER 199 Cb -0.86 -2.42 -0.01 0.00 0.10 0.00 0.00 66.02 62.83 3mk4 s SER 199 CO 0.58 -0.20 -0.21 -0.76 0.98 0.00 0.00 173.24 173.63 3mk4 s LEU 200 N 1.20 2.30 0.76 2.42 1.43 0.12 -4.82 118.68 122.08 3mk4 s LEU 200 Ca 0.38 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 3mk4 s LEU 200 Cb -0.17 -1.45 0.07 0.00 0.03 0.00 0.00 46.19 44.67 3mk4 s LEU 200 CO 0.17 0.25 1.10 -0.94 0.23 0.00 0.00 176.35 177.15 3mk4 s SER 201 N -0.15 4.63 0.36 2.29 1.04 -1.26 -0.92 113.70 119.69 3mk4 s SER 201 Ca -0.03 0.62 0.03 0.00 0.48 0.00 0.00 55.95 57.05 3mk4 s SER 201 Cb -0.14 -1.18 0.67 0.00 0.10 0.00 0.00 66.02 65.47 3mk4 s SER 201 CO 0.04 -1.77 2.02 0.25 0.98 0.00 0.00 173.24 174.75 3mk4 h LEU 202 N -0.85 0.70 -0.55 2.42 5.85 -1.98 -1.34 115.31 119.55 3mk4 h LEU 202 Ca -0.45 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.12 3mk4 h LEU 202 Cb 1.32 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3mk4 h LEU 202 CO 0.63 0.50 -0.25 0.25 -0.34 0.00 0.00 178.44 179.23 3mk4 h LEU 203 N 0.82 0.93 0.00 2.25 5.85 -1.94 -1.55 115.31 121.68 3mk4 h LEU 203 Ca 0.23 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3mk4 h LEU 203 Cb -0.08 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.69 3mk4 h LEU 203 CO -0.05 1.12 -0.00 0.44 -0.34 0.00 0.00 178.44 179.61 3mk4 h ASP 204 N 0.77 -0.00 -0.98 1.25 3.32 -1.74 -1.68 116.42 117.36 3mk4 h ASP 204 Ca 0.10 -0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.11 3mk4 h ASP 204 Cb 0.81 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.29 3mk4 h ASP 204 CO 0.07 0.10 0.63 0.25 -1.72 0.00 0.00 179.24 178.57 3mk4 h LEU 205 N -0.10 1.01 -0.96 1.55 5.85 -1.21 0.94 115.31 122.38 3mk4 h LEU 205 Ca -0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3mk4 h LEU 205 Cb 0.10 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 3mk4 h LEU 205 CO 0.00 0.65 0.59 -0.08 -0.34 0.00 0.00 178.44 179.25 3mk4 h GLU 206 N 1.15 1.30 -0.41 1.25 4.81 -1.14 -1.97 114.58 119.57 3mk4 h GLU 206 Ca 0.43 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.41 3mk4 h GLU 206 Cb 0.17 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3mk4 h GLU 206 CO -0.17 0.90 -0.26 0.37 -0.73 0.00 0.00 179.01 179.12 3mk4 h GLN 207 N 1.32 0.86 -0.75 1.92 5.75 -0.08 -1.04 115.11 123.09 3mk4 h GLN 207 Ca 0.34 -0.38 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3mk4 h GLN 207 Cb -0.07 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 3mk4 h GLN 207 CO -0.07 1.02 0.41 0.87 -2.65 0.00 0.00 178.83 178.41 3mk4 h LYS 208 N 0.74 1.05 -0.35 1.69 1.79 -0.75 -1.83 116.57 118.92 3mk4 h LYS 208 Ca 0.09 -0.13 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 3mk4 h LYS 208 Cb 0.81 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 3mk4 h LYS 208 CO 0.07 0.79 -0.05 -0.07 -1.08 0.00 0.00 179.45 179.11 3mk4 h LEU 209 N 1.04 0.54 -0.43 2.94 3.38 -1.05 -0.72 115.31 121.01 3mk4 h LEU 209 Ca 0.26 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3mk4 h LEU 209 Cb 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3mk4 h LEU 209 CO -0.04 0.65 -0.11 0.50 0.09 0.00 0.00 178.44 179.52 3mk4 h LYS 210 N 0.54 0.83 -0.68 1.13 3.64 -0.90 -1.17 116.57 119.97 3mk4 h LYS 210 Ca 0.11 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 3mk4 h LYS 210 Cb 0.42 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3mk4 h LYS 210 CO 0.02 0.95 0.32 0.93 -2.27 0.00 0.00 179.45 179.40 3mk4 h GLU 211 N 0.66 0.98 -0.31 1.90 5.08 -0.97 -0.33 114.58 121.59 3mk4 h GLU 211 Ca 0.11 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3mk4 h GLU 211 Cb 0.65 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3mk4 h GLU 211 CO 0.04 0.78 0.14 0.82 -1.00 0.00 0.00 179.01 179.80 3mk4 h ILE 212 N 0.94 1.16 -0.79 3.13 2.04 -1.06 -2.69 117.51 120.24 3mk4 h ILE 212 Ca 0.23 -0.46 0.05 0.00 1.00 0.00 0.00 64.86 65.68 3mk4 h ILE 212 Cb 0.13 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 3mk4 h ILE 212 CO -0.03 0.16 0.49 0.03 0.00 0.00 0.00 178.15 178.80 3mk4 h ARG 213 N 0.36 0.89 -0.04 2.37 3.08 -0.68 -2.29 114.38 118.07 3mk4 h ARG 213 Ca 0.11 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 3mk4 h ARG 213 Cb 0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3mk4 h ARG 213 CO -0.01 0.59 -0.53 -0.91 -1.07 0.00 0.00 179.97 178.04 3mk4 h ASN 214 N 0.91 0.10 -0.22 7.04 4.21 -0.96 0.28 115.58 126.94 3mk4 h ASN 214 Ca 0.33 -0.05 -0.17 0.00 1.21 0.00 0.00 56.30 57.62 3mk4 h ASN 214 Cb 0.10 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.27 3mk4 h ASN 214 CO -0.15 0.61 -0.49 -0.07 -1.29 0.00 0.00 177.43 176.05 3mk4 h LEU 215 N 0.08 0.87 0.12 1.61 3.38 -1.24 -2.83 115.31 117.28 3mk4 h LEU 215 Ca -0.00 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3mk4 h LEU 215 Cb 0.95 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3mk4 h LEU 215 CO 0.07 1.20 -0.06 0.58 0.09 0.00 0.00 178.44 180.33 3mk4 h VAL 216 N 0.62 1.08 -0.00 1.22 2.07 -1.05 -3.27 116.25 116.93 3mk4 h VAL 216 Ca 0.03 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3mk4 h VAL 216 Cb 1.07 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3mk4 h VAL 216 CO 0.11 0.24 -0.02 -0.62 0.02 0.00 0.00 177.57 177.30 3mk4 n GLU 217 N -4.93 0.48 -3.35 1.57 1.02 0.05 -3.27 120.64 112.21 3mk4 n GLU 217 Ca -0.08 -0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.77 3mk4 n GLU 217 Cb 0.26 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 3mk4 n GLU 217 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3mk4 n GLN 218 N -1.24 1.91 -0.02 3.49 6.02 -1.07 -4.96 117.38 121.51 3mk4 n GLN 218 Ca 0.15 -4.18 -0.02 0.00 -0.01 0.00 0.00 57.00 52.93 3mk4 n GLN 218 Cb 0.24 -1.90 -0.02 0.00 1.02 0.00 0.00 30.24 29.58 3mk4 n GLN 218 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 3mk4 n HIS 219 N 1.05 0.00 -0.85 1.08 -0.00 -1.20 -4.80 115.22 110.49 3mk4 n HIS 219 Ca 0.27 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.45 3mk4 n HIS 219 Cb 0.45 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.18 3mk4 n HIS 219 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 3mk4 n LEU 233 N -2.56 0.00 0.07 0.27 0.00 -1.26 -5.11 117.00 108.41 3mk4 n LEU 233 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.06 3mk4 n LEU 233 Cb 0.57 0.00 0.45 0.00 0.00 0.00 0.00 43.42 44.44 3mk4 n LEU 233 CO 0.04 -0.45 0.85 0.18 0.00 0.00 0.00 177.39 178.01 3mk4 n LEU 234 N 0.00 0.41 0.29 -1.96 4.77 -1.26 -3.68 117.00 115.56 3mk4 n LEU 234 Ca 0.00 0.57 0.16 0.00 -0.03 0.00 0.00 56.01 56.71 3mk4 n LEU 234 Cb 0.00 -0.48 0.85 0.00 -2.33 0.00 0.00 43.42 41.46 3mk4 n LEU 234 CO 0.00 -0.28 1.04 0.77 -1.33 0.00 0.00 177.39 177.59 3mk4 h SER 235 N 0.00 0.00 -0.33 -1.43 4.64 -1.99 -2.24 113.55 112.20 3mk4 h SER 235 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3mk4 h SER 235 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 3mk4 h SER 235 CO 0.00 0.06 0.23 -0.74 -0.87 0.00 0.00 176.83 175.51 3mk4 h HIS 236 N 0.00 0.24 -0.00 4.77 -0.00 -1.84 -2.40 115.15 115.93 3mk4 h HIS 236 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3mk4 h HIS 236 Cb 0.25 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3mk4 h HIS 236 CO 0.00 0.14 -0.12 0.66 -0.00 0.00 0.00 177.93 178.60 3mk4 n TYR 237 N -4.48 0.00 -0.05 5.26 4.01 -0.84 -4.11 117.16 116.95 3mk4 n TYR 237 Ca 0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.75 3mk4 n TYR 237 Cb 0.23 -0.37 -0.11 0.00 -0.31 0.00 0.00 39.34 38.78 3mk4 n TYR 237 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3mk4 n MET 238 N -1.38 1.39 -4.26 -0.72 2.81 -0.92 -4.29 117.12 109.75 3mk4 n MET 238 Ca 0.09 -0.04 -0.21 0.00 -1.81 0.00 0.00 57.70 55.73 3mk4 n MET 238 Cb 0.32 -1.36 -0.12 0.00 -0.71 0.00 0.00 33.22 31.35 3mk4 n MET 238 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 3mk4 s MET 239 N -2.52 0.97 0.61 0.03 -1.94 -1.11 -4.11 119.30 111.23 3mk4 s MET 239 Ca -0.06 -1.00 -0.17 0.00 -1.71 0.00 0.00 55.69 52.74 3mk4 s MET 239 Cb 0.06 -1.07 -0.02 0.00 2.01 0.00 0.00 34.83 35.80 3mk4 s MET 239 CO 0.58 0.25 1.12 -1.25 -0.01 0.00 0.00 175.02 175.71 3mk4 s PRO 240 N -1.70 3.01 0.59 2.03 0.04 -1.26 -4.69 135.00 133.02 3mk4 s PRO 240 Ca 0.02 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 3mk4 s PRO 240 Cb -0.10 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 3mk4 s PRO 240 CO 0.03 -1.10 0.82 -0.25 0.04 0.00 0.00 177.00 176.54 3mk4 n ASP 241 N -1.99 0.18 -4.74 6.66 9.92 -1.26 -4.96 116.55 120.36 3mk4 n ASP 241 Ca 0.11 0.78 -0.41 0.00 -0.53 0.00 0.00 54.79 54.74 3mk4 n ASP 241 Cb 0.52 -1.32 -0.04 0.00 -0.64 0.00 0.00 41.12 39.64 3mk4 n ASP 241 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3mk4 s GLU 242 N -2.56 4.59 0.29 -1.24 2.12 -1.26 -5.05 118.70 115.59 3mk4 s GLU 242 Ca 0.74 1.69 -0.13 0.00 0.36 0.00 0.00 54.97 57.63 3mk4 s GLU 242 Cb -0.42 -3.29 -0.08 0.00 0.26 0.00 0.00 34.13 30.59 3mk4 s GLU 242 CO 0.49 0.07 0.67 -2.00 -0.54 0.00 0.00 175.26 173.94 3mk4 s GLU 243 N -0.23 3.93 0.00 4.30 2.56 -1.26 -5.27 118.70 122.73 3mk4 s GLU 243 Ca 0.50 0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.99 3mk4 s GLU 243 Cb -0.29 -2.52 0.00 0.00 2.00 0.00 0.00 34.13 33.33 3mk4 s GLU 243 CO 0.34 0.22 0.00 2.41 -0.56 0.00 0.00 175.26 177.67 3mk4 n THR 244 N -0.27 0.00 0.00 -1.70 -1.04 -1.26 -5.26 114.28 104.75 3mk4 n THR 244 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3mk4 n THR 244 Cb 0.53 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 3mk4 n THR 244 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3mk4 n LEU 253 N 1.54 0.00 -4.77 -4.42 7.99 -1.26 -5.35 117.00 110.73 3mk4 n LEU 253 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 56.01 55.61 3mk4 n LEU 253 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3mk4 n LEU 253 CO 0.00 0.00 0.99 -0.55 -1.51 0.00 0.00 177.39 176.32 3mk4 s SER 254 N -4.00 6.18 0.49 -1.43 0.15 -1.26 -4.88 113.70 108.95 3mk4 s SER 254 Ca 0.00 2.72 0.24 0.00 0.70 0.00 0.00 55.95 59.61 3mk4 s SER 254 Cb 0.00 -2.64 1.28 0.00 -1.71 0.00 0.00 66.02 62.95 3mk4 s SER 254 CO 0.00 -0.95 2.02 1.55 1.20 0.00 0.00 173.24 177.06 3mk4 h PRO 255 N 2.55 0.00 -0.01 5.44 0.13 -2.06 0.57 132.00 138.62 3mk4 h PRO 255 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3mk4 h PRO 255 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3mk4 h PRO 255 CO 0.62 0.16 -0.62 0.54 -0.23 0.00 0.00 178.00 178.48 3mk4 n ARG 256 N -3.74 1.14 0.12 0.86 1.74 -1.26 -3.84 116.66 111.69 3mk4 n ARG 256 Ca -0.02 -0.55 -0.01 0.00 -0.77 0.00 0.00 57.85 56.51 3mk4 n ARG 256 Cb 0.27 -1.40 0.07 0.00 -1.02 0.00 0.00 32.46 30.39 3mk4 n ARG 256 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3mk4 h ASP 257 N 1.29 0.00 0.29 0.55 5.19 -1.33 -2.85 116.42 119.56 3mk4 h ASP 257 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3mk4 h ASP 257 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 3mk4 h ASP 257 CO 0.00 0.66 -0.14 0.40 -3.12 0.00 0.00 179.24 177.04 3mk4 h ILE 258 N 0.00 0.73 -0.38 0.35 2.04 -1.24 -1.83 117.51 117.17 3mk4 h ILE 258 Ca -0.01 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 3mk4 h ILE 258 Cb 1.35 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3mk4 h ILE 258 CO 0.09 0.02 0.12 0.74 0.00 0.00 0.00 178.15 179.11 3mk4 h THR 259 N -0.43 1.17 -0.44 -0.27 2.02 -1.68 -1.85 112.91 111.43 3mk4 h THR 259 Ca -0.04 -0.56 -0.09 0.00 0.77 0.00 0.00 66.41 66.49 3mk4 h THR 259 Cb 0.33 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3mk4 h THR 259 CO 0.07 0.21 -0.10 0.74 0.37 0.00 0.00 175.52 176.80 3mk4 h THR 260 N 0.55 1.26 -0.49 3.16 2.02 -1.32 -1.67 112.91 116.41 3mk4 h THR 260 Ca 0.13 -1.15 -0.13 0.00 0.77 0.00 0.00 66.41 66.03 3mk4 h THR 260 Cb 0.17 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3mk4 h THR 260 CO -0.01 0.39 -0.20 0.40 0.37 0.00 0.00 175.52 176.47 3mk4 h ILE 261 N 0.71 1.27 -0.97 3.11 2.04 -0.91 -1.67 117.51 121.09 3mk4 h ILE 261 Ca 0.12 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.62 3mk4 h ILE 261 Cb 0.57 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 3mk4 h ILE 261 CO 0.04 0.47 0.62 0.50 0.00 0.00 0.00 178.15 179.78 3mk4 h LYS 262 N 0.86 1.28 -0.42 2.37 3.64 -1.05 -1.44 116.57 121.81 3mk4 h LYS 262 Ca 0.11 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3mk4 h LYS 262 Cb 0.78 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3mk4 h LYS 262 CO 0.06 0.86 -0.04 -0.07 -2.27 0.00 0.00 179.45 178.00 3mk4 h LEU 263 N 1.32 0.77 -0.80 5.20 3.38 -1.12 -2.25 115.31 121.81 3mk4 h LEU 263 Ca 0.35 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3mk4 h LEU 263 Cb -0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3mk4 h LEU 263 CO -0.07 0.92 -0.35 -0.07 0.09 0.00 0.00 178.44 178.96 3mk4 h LEU 264 N 0.61 0.50 -0.58 1.67 3.38 -1.12 -1.41 115.31 118.37 3mk4 h LEU 264 Ca 0.11 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3mk4 h LEU 264 Cb 0.55 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3mk4 h LEU 264 CO 0.03 0.82 0.15 0.78 0.09 0.00 0.00 178.44 180.31 3mk4 h ASN 265 N 0.41 0.87 -0.68 -0.43 2.35 -1.25 -0.39 115.58 116.46 3mk4 h ASN 265 Ca 0.05 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.49 3mk4 h ASN 265 Cb 0.81 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 3mk4 h ASN 265 CO 0.07 0.87 0.11 -0.33 -1.65 0.00 0.00 177.43 176.50 3mk4 h GLU 266 N 0.82 1.13 -0.32 0.81 5.08 -1.17 -0.99 114.58 119.94 3mk4 h GLU 266 Ca 0.18 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3mk4 h GLU 266 Cb 0.33 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3mk4 h GLU 266 CO 0.00 1.03 0.18 1.15 -1.00 0.00 0.00 179.01 180.37 3mk4 h THR 267 N 1.06 1.02 -0.50 1.13 2.02 -1.15 -0.77 112.91 115.71 3mk4 h THR 267 Ca 0.21 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.27 3mk4 h THR 267 Cb 0.44 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3mk4 h THR 267 CO 0.01 0.07 0.32 0.03 0.37 0.00 0.00 175.52 176.32 3mk4 h ARG 268 N 0.37 0.63 -0.64 6.66 3.08 -0.66 0.45 114.38 124.28 3mk4 h ARG 268 Ca 0.13 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3mk4 h ARG 268 Cb 0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3mk4 h ARG 268 CO -0.07 0.42 0.38 -0.44 -1.07 0.00 0.00 179.97 179.19 3mk4 h ASP 269 N 0.65 0.78 -0.12 7.04 3.32 -1.05 -2.11 116.42 124.93 3mk4 h ASP 269 Ca 0.19 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.19 3mk4 h ASP 269 Cb -0.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3mk4 h ASP 269 CO -0.06 0.61 0.04 -0.03 -1.72 0.00 0.00 179.24 178.09 3mk4 h MET 270 N 0.87 0.10 0.00 3.56 4.05 -0.62 -1.52 114.93 121.37 3mk4 h MET 270 Ca 0.23 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 3mk4 h MET 270 Cb -0.01 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 3mk4 h MET 270 CO -0.04 0.06 0.02 -0.07 0.23 0.00 0.00 176.91 177.11 3mk4 h LEU 271 N 0.10 0.00 -2.13 3.39 3.38 -0.54 0.16 115.31 119.67 3mk4 h LEU 271 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3mk4 h LEU 271 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3mk4 h LEU 271 CO -0.05 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.86 3mk4 n GLU 272 N -2.87 2.43 -2.58 1.13 1.02 -0.66 -4.71 120.64 114.40 3mk4 n GLU 272 Ca -0.03 -2.11 -0.34 0.00 -0.02 0.00 0.00 57.16 54.66 3mk4 n GLU 272 Cb 0.08 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 3mk4 n GLU 272 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3mk4 s SER 273 N -1.76 6.53 0.26 1.62 1.04 0.04 -4.95 113.70 116.48 3mk4 s SER 273 Ca 0.33 1.92 -0.04 0.00 0.48 0.00 0.00 55.95 58.65 3mk4 s SER 273 Cb 0.21 -2.56 0.31 0.00 0.10 0.00 0.00 66.02 64.08 3mk4 s SER 273 CO 0.31 -0.65 1.82 1.55 0.98 0.00 0.00 173.24 177.24 3mk4 h PRO 274 N 1.84 0.99 -0.78 4.02 0.13 -1.93 -1.57 132.00 134.70 3mk4 h PRO 274 Ca -0.49 -0.18 0.02 0.00 -0.87 0.00 0.00 66.00 64.47 3mk4 h PRO 274 Cb 1.21 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 3mk4 h PRO 274 CO 0.60 0.83 0.51 -0.44 -0.23 0.00 0.00 178.00 179.27 3mk4 h ASP 275 N 0.96 0.87 -0.49 1.44 3.32 -1.93 0.15 116.42 120.73 3mk4 h ASP 275 Ca 0.22 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 3mk4 h ASP 275 Cb 0.24 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3mk4 h ASP 275 CO -0.01 0.61 -0.13 0.15 -1.72 0.00 0.00 179.24 178.14 3mk4 h PHE 276 N 1.02 1.09 -0.35 4.55 3.57 -1.70 -2.42 116.94 122.70 3mk4 h PHE 276 Ca 0.30 -0.23 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 3mk4 h PHE 276 Cb -0.07 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 3mk4 h PHE 276 CO -0.02 1.03 -0.15 1.03 -2.23 0.00 0.00 178.31 177.96 3mk4 h SER 277 N 0.87 0.62 -0.31 0.41 0.87 -0.75 -1.25 113.55 114.01 3mk4 h SER 277 Ca 0.13 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3mk4 h SER 277 Cb 0.68 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 3mk4 h SER 277 CO 0.05 0.79 0.16 0.74 -0.53 0.00 0.00 176.83 178.04 3mk4 h THR 278 N 0.57 1.15 -0.03 2.23 2.02 -0.57 -1.30 112.91 116.98 3mk4 h THR 278 Ca 0.09 -0.42 -0.16 0.00 0.77 0.00 0.00 66.41 66.70 3mk4 h THR 278 Cb 0.59 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3mk4 h THR 278 CO 0.04 0.15 -0.70 0.58 0.37 0.00 0.00 175.52 175.96 3mk4 h VAL 279 N 0.38 1.45 -0.32 3.16 2.07 -1.19 -1.49 116.25 120.30 3mk4 h VAL 279 Ca 0.11 -2.27 -0.17 0.00 0.82 0.00 0.00 66.70 65.19 3mk4 h VAL 279 Cb 0.10 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3mk4 h VAL 279 CO -0.01 0.66 -0.48 0.25 0.02 0.00 0.00 177.57 178.01 3mk4 h LEU 280 N 0.10 0.95 -0.50 2.57 5.85 -1.16 -2.35 115.31 120.77 3mk4 h LEU 280 Ca -0.02 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.24 3mk4 h LEU 280 Cb 1.25 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3mk4 h LEU 280 CO 0.10 1.27 0.32 0.78 -0.34 0.00 0.00 178.44 180.57 3mk4 h ASN 281 N 0.69 0.55 -0.34 1.25 4.21 -1.05 -0.16 115.58 120.73 3mk4 h ASN 281 Ca 0.03 -0.01 0.07 0.00 1.21 0.00 0.00 56.30 57.60 3mk4 h ASN 281 Cb 1.07 -0.13 -0.06 0.00 -1.12 0.00 0.00 38.32 38.08 3mk4 h ASN 281 CO 0.11 0.40 -0.05 0.74 -1.29 0.00 0.00 177.43 177.34 3mk4 h THR 282 N 0.66 0.70 -0.30 2.81 2.02 -1.21 0.22 112.91 117.81 3mk4 h THR 282 Ca 0.19 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 3mk4 h THR 282 Cb -0.06 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3mk4 h THR 282 CO -0.05 0.01 0.10 0.00 0.37 0.00 0.00 175.52 175.94 3mk4 h LEU 284 N 0.33 -0.12 -0.35 0.00 3.38 -0.83 0.25 115.31 117.98 3mk4 h LEU 284 Ca 0.10 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.18 3mk4 h LEU 284 Cb 0.24 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 3mk4 h LEU 284 CO -0.00 -0.03 -0.13 0.78 0.09 0.00 0.00 178.44 179.14 3mk4 h ASN 285 N 0.03 -0.44 0.55 -0.43 2.35 -0.78 -0.98 115.58 115.86 3mk4 h ASN 285 Ca 0.08 0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.88 3mk4 h ASN 285 Cb 0.11 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3mk4 h ASN 285 CO -0.16 -0.16 -0.36 0.03 -1.65 0.00 0.00 177.43 175.14 3mk4 h ARG 286 N -0.06 0.00 -0.09 0.81 3.08 -0.70 -1.88 114.38 115.54 3mk4 h ARG 286 Ca 0.17 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.04 3mk4 h ARG 286 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 3mk4 h ARG 286 CO -0.39 0.36 -0.72 0.78 -1.07 0.00 0.00 179.97 178.93 3mk4 h GLY 287 N 1.45 0.49 1.63 0.04 0.00 0.53 -2.67 103.07 104.53 3mk4 h GLY 287 Ca -0.00 -0.68 -0.27 0.00 0.00 0.00 0.00 47.33 46.38 3mk4 h GLY 287 CO 0.05 0.60 -1.25 0.74 0.00 0.00 0.00 176.54 176.68 3mk4 h PHE 288 N 0.30 0.35 -0.74 5.60 0.04 -1.03 -1.94 116.94 119.53 3mk4 h PHE 288 Ca -0.03 -0.26 0.02 0.00 2.80 0.00 0.00 57.97 60.50 3mk4 h PHE 288 Cb 1.30 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.39 3mk4 h PHE 288 CO 0.05 1.22 0.48 0.77 -0.60 0.00 0.00 178.31 180.23 3mk4 h SER 289 N 0.05 0.82 -0.55 2.17 0.02 -1.42 -1.85 113.55 112.79 3mk4 h SER 289 Ca -0.13 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.75 3mk4 h SER 289 Cb 1.93 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 64.26 3mk4 h SER 289 CO 0.17 0.58 0.13 -0.09 -1.14 0.00 0.00 176.83 176.49 3mk4 h ARG 290 N 0.96 0.88 -0.68 3.45 9.65 -1.48 0.33 114.38 127.50 3mk4 h ARG 290 Ca 0.28 -0.21 0.10 0.00 -1.10 0.00 0.00 59.98 59.05 3mk4 h ARG 290 Cb -0.06 -0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 28.33 3mk4 h ARG 290 CO -0.08 0.83 0.31 1.25 2.80 0.00 0.00 179.97 185.08 3mk4 h LEU 291 N 0.78 0.37 -0.24 3.80 5.85 -1.12 0.03 115.31 124.77 3mk4 h LEU 291 Ca 0.17 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 3mk4 h LEU 291 Cb 0.34 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3mk4 h LEU 291 CO 0.00 0.21 -0.29 0.25 -0.34 0.00 0.00 178.44 178.26 3mk4 h LEU 292 N 0.52 0.68 -0.69 2.25 5.85 -0.80 -2.86 115.31 120.26 3mk4 h LEU 292 Ca 0.34 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3mk4 h LEU 292 Cb 0.40 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3mk4 h LEU 292 CO -0.29 1.04 0.45 0.44 -0.34 0.00 0.00 178.44 179.73 3mk4 h ASP 293 N 0.34 0.76 -0.71 1.25 3.32 -0.07 -1.03 116.42 120.27 3mk4 h ASP 293 Ca 0.03 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.12 3mk4 h ASP 293 Cb 0.87 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3mk4 h ASP 293 CO 0.07 0.54 0.47 0.78 -1.72 0.00 0.00 179.24 179.38 3mk4 h ASN 294 N 0.90 0.68 1.22 6.45 2.35 -0.95 -2.77 115.58 123.45 3mk4 h ASN 294 Ca 0.26 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 3mk4 h ASN 294 Cb -0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3mk4 h ASN 294 CO -0.07 0.45 -0.80 0.24 -1.65 0.00 0.00 177.43 175.59 3mk4 h MET 295 N 0.78 0.00 -0.96 0.81 2.86 -1.19 -3.34 114.93 113.88 3mk4 h MET 295 Ca 0.30 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 58.18 3mk4 h MET 295 Cb 0.19 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.78 3mk4 h MET 295 CO -0.09 0.10 0.65 0.00 1.06 0.00 0.00 176.91 178.62 3mk4 h ALA 296 N 1.85 2.43 0.00 6.32 0.00 -0.90 -1.23 119.26 127.74 3mk4 h ALA 296 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3mk4 h ALA 296 Cb 1.14 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3mk4 h ALA 296 CO 0.01 -0.74 -0.03 1.49 0.00 0.00 0.00 179.25 179.98 3mk4 h GLU 297 N 0.28 0.00 0.00 0.00 4.81 -1.71 -1.81 114.58 116.15 3mk4 h GLU 297 Ca 0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 3mk4 h GLU 297 Cb 1.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.85 3mk4 h GLU 297 CO -0.16 0.03 -0.45 1.19 -0.73 0.00 0.00 179.01 178.90 3mk4 n PHE 298 N -3.32 0.12 -3.13 0.92 3.72 -0.46 -4.38 117.46 110.93 3mk4 n PHE 298 Ca -0.02 0.03 -0.43 0.00 -0.05 0.00 0.00 57.45 56.98 3mk4 n PHE 298 Cb 0.17 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 3mk4 n PHE 298 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3mk4 n PHE 299 N -1.63 3.25 -3.41 1.38 3.72 -0.68 -5.04 117.46 115.05 3mk4 n PHE 299 Ca 0.05 -3.06 -0.26 0.00 -0.05 0.00 0.00 57.45 54.13 3mk4 n PHE 299 Cb 0.36 -1.37 -0.09 0.00 -0.94 0.00 0.00 39.48 37.43 3mk4 n PHE 299 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3mk4 n ARG 300 N 1.74 0.75 0.00 -1.08 1.74 -1.26 -5.03 116.66 113.52 3mk4 n ARG 300 Ca 0.25 -3.49 0.00 0.00 -0.77 0.00 0.00 57.85 53.84 3mk4 n ARG 300 Cb 0.35 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3mk4 n ARG 300 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3mk4 n VAL 318 N 2.15 0.00 -4.30 1.55 3.14 -1.26 -5.24 118.33 114.37 3mk4 n VAL 318 Ca 0.26 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.41 3mk4 n VAL 318 Cb 0.47 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.13 3mk4 n VAL 318 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3mk4 s SER 319 N 0.00 2.58 0.09 6.55 1.04 -1.26 -4.18 113.70 118.52 3mk4 s SER 319 Ca 0.00 -0.77 0.09 0.00 0.48 0.00 0.00 55.95 55.75 3mk4 s SER 319 Cb 0.00 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 3mk4 s SER 319 CO 0.00 0.01 -0.22 -0.76 0.98 0.00 0.00 173.24 173.25 3mk4 s LEU 320 N -2.27 2.47 0.34 2.42 1.43 -0.10 -4.79 118.68 118.20 3mk4 s LEU 320 Ca 0.11 -0.59 -0.28 0.00 -1.03 0.00 0.00 54.13 52.33 3mk4 s LEU 320 Cb -0.08 -1.40 -0.12 0.00 0.03 0.00 0.00 46.19 44.62 3mk4 s LEU 320 CO 0.05 0.21 1.41 -2.65 0.23 0.00 0.00 176.35 175.61 3mk4 n PRO 321 N 1.19 2.41 -0.18 1.29 -0.02 -1.26 0.12 135.00 138.54 3mk4 n PRO 321 Ca -0.17 0.85 0.19 0.00 -2.02 0.00 0.00 63.50 62.35 3mk4 n PRO 321 Cb 0.52 -2.51 0.56 0.00 -0.02 0.00 0.00 33.50 32.05 3mk4 n PRO 321 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3mk4 h LEU 322 N 3.06 0.31 -1.58 2.45 5.85 -0.70 0.61 115.31 125.30 3mk4 h LEU 322 Ca -0.48 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 3mk4 h LEU 322 Cb 1.26 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3mk4 h LEU 322 CO 0.66 0.14 0.03 0.00 -0.34 0.00 0.00 178.44 178.92 3mk4 h ALA 323 N 1.63 1.67 0.00 1.25 0.00 -1.49 -1.14 119.26 121.17 3mk4 h ALA 323 Ca 0.41 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3mk4 h ALA 323 Cb 1.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3mk4 h ALA 323 CO -0.12 0.26 -0.23 0.87 0.00 0.00 0.00 179.25 180.02 3mk4 h LYS 324 N 0.29 0.00 0.07 0.00 1.79 -0.08 -3.28 116.57 115.36 3mk4 h LYS 324 Ca 0.07 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.29 3mk4 h LYS 324 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3mk4 h LYS 324 CO 0.00 0.23 -1.09 0.82 -1.08 0.00 0.00 179.45 178.34 3mk4 h ILE 325 N 0.00 1.45 -0.51 1.86 2.04 -0.56 -3.35 117.51 118.45 3mk4 h ILE 325 Ca -0.00 -2.75 0.09 0.00 1.00 0.00 0.00 64.86 63.19 3mk4 h ILE 325 Cb 1.15 2.68 -0.10 0.00 -0.74 0.00 0.00 36.82 39.81 3mk4 h ILE 325 CO 0.03 0.81 -0.36 0.40 0.00 0.00 0.00 178.15 179.04 3mk4 h ILE 326 N 0.15 0.17 0.00 -0.67 2.04 -1.30 0.23 117.51 118.13 3mk4 h ILE 326 Ca -0.11 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 3mk4 h ILE 326 Cb 1.77 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3mk4 h ILE 326 CO 0.18 0.00 -0.12 1.55 0.00 0.00 0.00 178.15 179.77 3mk4 h PRO 327 N -0.22 0.00 -0.04 2.37 0.13 -1.75 0.50 132.00 132.99 3mk4 h PRO 327 Ca 0.20 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.30 3mk4 h PRO 327 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 3mk4 h PRO 327 CO -0.62 0.12 -0.08 0.82 -0.23 0.00 0.00 178.00 178.00 3mk4 h ILE 328 N 0.00 1.43 -0.50 -3.56 2.04 -1.40 -3.12 117.51 112.39 3mk4 h ILE 328 Ca -0.00 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 3mk4 h ILE 328 Cb 0.54 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 3mk4 h ILE 328 CO 0.02 0.38 0.19 0.58 0.00 0.00 0.00 178.15 179.31 3mk4 h VAL 329 N -0.39 1.22 -0.74 1.67 2.07 -0.68 -3.11 116.25 116.29 3mk4 h VAL 329 Ca 0.00 -0.69 0.14 0.00 0.82 0.00 0.00 66.70 66.97 3mk4 h VAL 329 Cb 0.65 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3mk4 h VAL 329 CO 0.02 0.26 0.49 -1.13 0.02 0.00 0.00 177.57 177.23 3mk4 h ASN 330 N 0.67 0.42 0.87 0.57 -1.24 -0.07 -2.36 115.58 114.44 3mk4 h ASN 330 Ca 0.16 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.20 3mk4 h ASN 330 Cb 0.22 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.21 3mk4 h ASN 330 CO -0.01 0.22 -0.21 0.61 -1.29 0.00 0.00 177.43 176.76 3mk4 n GLY 331 N -1.51 -1.43 0.25 1.57 0.00 -1.17 -4.13 105.19 98.76 3mk4 n GLY 331 Ca 0.14 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.05 3mk4 n GLY 331 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3mk4 h GLN 332 N 0.00 0.00 -0.74 1.61 1.08 -1.48 -2.73 115.11 112.85 3mk4 h GLN 332 Ca 0.00 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.34 3mk4 h GLN 332 Cb 0.54 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.92 3mk4 h GLN 332 CO 0.00 0.10 0.49 0.97 -0.95 0.00 0.00 178.83 179.45 3mk4 h ILE 333 N 0.00 0.82 0.00 2.54 2.10 -1.78 0.13 117.51 121.32 3mk4 h ILE 333 Ca -0.00 -0.15 -0.05 0.00 1.08 0.00 0.00 64.86 65.73 3mk4 h ILE 333 Cb 0.20 0.34 -0.01 0.00 -1.09 0.00 0.00 36.82 36.26 3mk4 h ILE 333 CO 0.01 0.08 -0.26 0.45 -1.08 0.00 0.00 178.15 177.36 3mk4 h HIS 334 N 0.45 0.00 0.02 2.19 3.86 -1.80 -1.03 115.15 118.83 3mk4 h HIS 334 Ca 0.36 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 59.18 3mk4 h HIS 334 Cb 0.77 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.18 3mk4 h HIS 334 CO -0.00 0.26 -2.41 -1.13 0.86 0.00 0.00 177.93 175.51 3mk4 n SER 335 N -3.72 2.00 0.23 2.45 3.41 -0.72 -3.62 113.62 113.65 3mk4 n SER 335 Ca -0.01 -0.07 0.06 0.00 -0.26 0.00 0.00 58.87 58.59 3mk4 n SER 335 Cb 0.36 -0.50 0.55 0.00 -0.26 0.00 0.00 64.21 64.37 3mk4 n SER 335 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3mk4 h VAL 336 N -0.04 1.08 -0.85 -3.33 2.07 -0.76 -2.87 116.25 111.56 3mk4 h VAL 336 Ca -0.56 -0.36 -0.59 0.00 0.82 0.00 0.00 66.70 66.01 3mk4 h VAL 336 Cb 1.90 1.17 -0.38 0.00 -1.52 0.00 0.00 31.29 32.46 3mk4 h VAL 336 CO -0.08 0.10 -0.27 0.00 0.02 0.00 0.00 177.57 177.35 3mk4 s SER 338 N -3.02 6.81 0.28 0.00 0.15 -1.08 -4.81 113.70 112.03 3mk4 s SER 338 Ca 0.55 1.01 0.15 0.00 0.70 0.00 0.00 55.95 58.36 3mk4 s SER 338 Cb 0.44 -2.26 0.08 0.00 -1.71 0.00 0.00 66.02 62.57 3mk4 s SER 338 CO 0.02 0.18 1.45 -0.33 1.20 0.00 0.00 173.24 175.76 3mk4 h GLU 339 N 3.93 0.00 -6.49 5.44 3.07 -1.91 -3.41 114.58 115.21 3mk4 h GLU 339 Ca -0.49 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 57.78 3mk4 h GLU 339 Cb 1.20 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 29.26 3mk4 h GLU 339 CO 0.65 0.49 -0.23 2.41 -1.40 0.00 0.00 179.01 180.93 3mk4 n THR 340 N -3.23 2.21 -1.53 1.13 -1.04 -1.26 -4.85 114.28 105.71 3mk4 n THR 340 Ca 0.02 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.19 3mk4 n THR 340 Cb 0.73 -0.77 0.08 0.00 -1.82 0.00 0.00 70.33 68.55 3mk4 n THR 340 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3mk4 s PRO 341 N -1.91 2.36 0.00 -2.82 0.04 -1.26 -3.19 135.00 128.21 3mk4 s PRO 341 Ca 0.66 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.30 3mk4 s PRO 341 Cb -0.53 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3mk4 s PRO 341 CO 0.56 -1.63 0.00 0.43 0.04 0.00 0.00 177.00 176.40 3mk4 n SER 342 N -2.66 -0.08 -4.66 6.66 7.64 -1.26 -5.01 113.62 114.25 3mk4 n SER 342 Ca 0.12 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.76 3mk4 n SER 342 Cb 0.51 -1.18 0.11 0.00 -1.01 0.00 0.00 64.21 62.64 3mk4 n SER 342 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3mk4 s HIS 343 N -2.59 1.77 0.18 1.43 3.76 -1.19 -4.90 115.29 113.75 3mk4 s HIS 343 Ca 0.00 -0.15 -0.11 0.00 -0.15 0.00 0.00 55.06 54.64 3mk4 s HIS 343 Cb 0.00 -3.09 0.09 0.00 1.11 0.00 0.00 32.58 30.68 3mk4 s HIS 343 CO 0.00 -1.72 1.73 0.35 -0.85 0.00 0.00 174.74 174.25 3mk4 h PHE 344 N -0.59 0.96 -0.61 1.40 3.57 -1.84 -2.47 116.94 117.35 3mk4 h PHE 344 Ca -0.38 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 3mk4 h PHE 344 Cb 1.27 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 3mk4 h PHE 344 CO -0.21 0.77 0.30 0.28 -2.23 0.00 0.00 178.31 177.22 3mk4 h VAL 345 N 0.88 1.21 -0.32 1.41 2.07 -1.79 -2.01 116.25 117.70 3mk4 h VAL 345 Ca 0.21 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3mk4 h VAL 345 Cb 0.22 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3mk4 h VAL 345 CO -0.02 0.24 -0.06 1.56 0.02 0.00 0.00 177.57 179.31 3mk4 h GLN 346 N 0.83 0.52 -0.13 1.57 1.08 -1.79 -1.51 115.11 115.68 3mk4 h GLN 346 Ca 0.21 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 3mk4 h GLN 346 Cb 0.10 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3mk4 h GLN 346 CO -0.03 0.59 -0.17 -0.44 -0.95 0.00 0.00 178.83 177.83 3mk4 h ASP 347 N 0.49 0.20 0.04 1.46 3.32 -1.05 -1.01 116.42 119.87 3mk4 h ASP 347 Ca 0.10 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 3mk4 h ASP 347 Cb 0.41 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3mk4 h ASP 347 CO 0.02 0.40 -0.58 -0.07 -1.72 0.00 0.00 179.24 177.29 3mk4 h LEU 348 N 0.20 0.62 -0.79 1.55 3.38 -0.74 -2.41 115.31 117.13 3mk4 h LEU 348 Ca 0.04 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 3mk4 h LEU 348 Cb 0.43 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3mk4 h LEU 348 CO 0.03 1.06 -0.38 -0.07 0.09 0.00 0.00 178.44 179.17 3mk4 h LEU 349 N 0.42 0.00 -2.93 1.67 3.38 -0.72 -2.91 115.31 114.22 3mk4 h LEU 349 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mk4 h LEU 349 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3mk4 h LEU 349 CO 0.11 0.38 0.00 0.35 0.09 0.00 0.00 178.44 179.36 3mk4 n THR 350 N -3.45 1.26 -2.64 0.22 -2.24 -0.44 -4.94 114.28 102.07 3mk4 n THR 350 Ca 0.00 -1.12 -0.43 0.00 -2.27 0.00 0.00 64.05 60.23 3mk4 n THR 350 Cb 0.54 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 3mk4 n THR 350 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3mk4 s MET 351 N -1.32 4.09 0.50 -0.78 0.00 -0.91 -4.91 119.30 115.97 3mk4 s MET 351 Ca 0.37 1.11 0.21 0.00 0.00 0.00 0.00 55.69 57.39 3mk4 s MET 351 Cb 0.21 -3.73 1.28 0.00 0.00 0.00 0.00 34.83 32.60 3mk4 s MET 351 CO 0.22 -0.87 2.06 1.49 0.00 0.00 0.00 175.02 177.91 3mk4 h GLU 352 N 8.04 0.00 -0.38 4.11 4.81 -1.90 -2.12 114.58 127.14 3mk4 h GLU 352 Ca -0.20 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 3mk4 h GLU 352 Cb 1.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3mk4 h GLU 352 CO 1.03 0.13 -0.04 1.96 -0.73 0.00 0.00 179.01 181.36 3mk4 h GLN 353 N 0.00 0.63 0.02 1.92 7.50 -1.96 -0.32 115.11 122.90 3mk4 h GLN 353 Ca -0.00 -0.16 -0.23 0.00 0.50 0.00 0.00 58.65 58.76 3mk4 h GLN 353 Cb 0.28 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.73 3mk4 h GLN 353 CO 0.02 0.68 -0.98 0.28 -1.50 0.00 0.00 178.83 177.33 3mk4 h VAL 354 N 0.59 1.42 -0.81 -0.54 2.07 -1.71 -2.76 116.25 114.51 3mk4 h VAL 354 Ca 0.12 -2.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.09 3mk4 h VAL 354 Cb 0.43 2.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 3mk4 h VAL 354 CO 0.02 0.76 0.50 0.50 0.02 0.00 0.00 177.57 179.36 3mk4 h LYS 355 N 0.20 1.10 -0.56 1.57 3.11 -1.27 -0.21 116.57 120.51 3mk4 h LYS 355 Ca -0.08 -0.10 -0.04 0.00 -2.81 0.00 0.00 60.65 57.62 3mk4 h LYS 355 Cb 1.62 -0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 32.60 3mk4 h LYS 355 CO 0.17 0.77 0.19 -0.44 -2.81 0.00 0.00 179.45 177.32 3mk4 h ASP 356 N 1.12 0.81 -0.12 4.20 3.32 -1.02 0.42 116.42 125.14 3mk4 h ASP 356 Ca 0.29 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3mk4 h ASP 356 Cb -0.05 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3mk4 h ASP 356 CO -0.06 0.79 0.05 0.15 -1.72 0.00 0.00 179.24 178.45 3mk4 h PHE 357 N 0.78 0.18 -0.73 4.55 3.57 -1.34 -2.06 116.94 121.88 3mk4 h PHE 357 Ca 0.18 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3mk4 h PHE 357 Cb 0.26 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3mk4 h PHE 357 CO 0.02 0.28 0.49 0.00 -2.23 0.00 0.00 178.31 176.86 3mk4 h ALA 358 N 0.88 1.50 -0.54 2.41 0.00 -0.88 -1.77 119.26 120.86 3mk4 h ALA 358 Ca 0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3mk4 h ALA 358 Cb 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3mk4 h ALA 358 CO -0.00 0.45 -0.12 0.00 0.00 0.00 0.00 179.25 179.58 3mk4 h ALA 359 N 1.55 0.75 -0.58 0.00 0.00 -0.74 -1.80 119.26 118.44 3mk4 h ALA 359 Ca 0.27 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3mk4 h ALA 359 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3mk4 h ALA 359 CO -0.06 0.67 0.05 -0.91 0.00 0.00 0.00 179.25 179.00 3mk4 h ASN 360 N 0.92 0.93 -0.01 0.00 4.21 -1.00 -1.93 115.58 118.70 3mk4 h ASN 360 Ca 0.14 -0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.43 3mk4 h ASN 360 Cb 0.69 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 37.64 3mk4 h ASN 360 CO 0.05 0.95 -0.01 0.58 -1.29 0.00 0.00 177.43 177.71 3mk4 h VAL 361 N 0.90 0.97 -0.99 2.81 2.07 -1.15 -2.06 116.25 118.80 3mk4 h VAL 361 Ca 0.18 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.73 3mk4 h VAL 361 Cb 0.45 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3mk4 h VAL 361 CO 0.02 0.00 0.65 0.22 0.02 0.00 0.00 177.57 178.48 3mk4 h TYR 362 N -0.02 1.22 -0.22 1.57 3.20 -1.24 -1.99 116.97 119.50 3mk4 h TYR 362 Ca 0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3mk4 h TYR 362 Cb 0.03 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 37.88 3mk4 h TYR 362 CO -0.09 0.72 -0.04 1.49 -1.64 0.00 0.00 178.16 178.60 3mk4 h GLU 363 N 1.27 0.41 -0.75 1.82 4.81 -1.26 -0.39 114.58 120.49 3mk4 h GLU 363 Ca 0.39 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3mk4 h GLU 363 Cb -0.03 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.27 3mk4 h GLU 363 CO -0.11 0.64 0.48 0.00 -0.73 0.00 0.00 179.01 179.29 3mk4 h ALA 364 N 0.76 0.99 -0.00 2.92 0.00 -1.12 -2.72 119.26 120.09 3mk4 h ALA 364 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mk4 h ALA 364 Cb 0.48 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3mk4 h ALA 364 CO 0.02 0.28 -0.21 1.19 0.00 0.00 0.00 179.25 180.52 3mk4 n PHE 365 N -4.62 0.00 0.83 0.00 3.72 -0.77 -3.70 117.46 112.92 3mk4 n PHE 365 Ca 0.09 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.58 3mk4 n PHE 365 Cb 0.08 -0.27 0.05 0.00 -0.94 0.00 0.00 39.48 38.40 3mk4 n PHE 365 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3mk4 n SER 366 N -1.22 2.32 -4.77 4.37 3.41 -0.16 -3.29 113.62 114.28 3mk4 n SER 366 Ca 0.10 -1.66 -0.36 0.00 -0.26 0.00 0.00 58.87 56.69 3mk4 n SER 366 Cb 0.32 0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 3mk4 n SER 366 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mk4 s THR 367 N -1.83 5.39 -2.00 6.66 -4.23 -1.05 -4.66 115.64 113.91 3mk4 s THR 367 Ca 0.20 0.18 0.04 0.00 -1.18 0.00 0.00 61.69 60.92 3mk4 s THR 367 Cb 0.16 -3.42 0.10 0.00 1.34 0.00 0.00 72.50 70.68 3mk4 s THR 367 CO 0.33 0.50 0.69 -0.81 -0.54 0.00 0.00 174.62 174.79