#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4u s SER 2 N 0.00 4.71 0.44 6.12 0.01 -1.05 -4.86 113.70 119.07 3m4u s SER 2 Ca 0.00 1.92 0.03 0.00 1.31 0.00 0.00 55.95 59.21 3m4u s SER 2 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 3m4u s SER 2 CO 0.00 -1.90 0.10 0.42 0.41 0.00 0.00 173.24 172.27 3m4u s THR 3 N -2.64 0.73 0.60 1.44 -4.23 -1.26 -5.01 115.64 105.26 3m4u s THR 3 Ca 0.64 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.45 3m4u s THR 3 Cb -0.19 -2.28 0.36 0.00 1.34 0.00 0.00 72.50 71.73 3m4u s THR 3 CO 0.50 0.00 2.19 0.00 -0.54 0.00 0.00 174.62 176.77 3m4u h ALA 4 N 1.66 1.61 0.00 3.99 0.00 -1.92 0.14 119.26 124.75 3m4u h ALA 4 Ca -0.37 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3m4u h ALA 4 Cb 1.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3m4u h ALA 4 CO 0.61 -0.13 -0.01 0.87 0.00 0.00 0.00 179.25 180.59 3m4u h LYS 5 N 0.00 0.00 -0.39 0.00 1.79 -1.98 0.14 116.57 116.13 3m4u h LYS 5 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3m4u h LYS 5 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3m4u h LYS 5 CO -0.00 0.01 0.00 0.43 -1.08 0.00 0.00 179.45 178.81 3m4u n SER 6 N -3.61 2.67 -3.27 0.86 7.64 0.50 -4.72 113.62 113.69 3m4u n SER 6 Ca -0.03 -1.92 -0.24 0.00 1.01 0.00 0.00 58.87 57.69 3m4u n SER 6 Cb 0.09 -0.25 -0.08 0.00 -1.01 0.00 0.00 64.21 62.96 3m4u n SER 6 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3m4u n PHE 7 N 0.96 -0.94 -0.39 1.43 7.35 0.04 -3.52 117.46 122.40 3m4u n PHE 7 Ca 0.18 -3.26 0.36 0.00 -0.76 0.00 0.00 57.45 53.96 3m4u n PHE 7 Cb 0.46 0.14 0.72 0.00 0.35 0.00 0.00 39.48 41.14 3m4u n PHE 7 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 3m4u h PRO 8 N 4.98 0.07 -0.55 -7.13 0.11 -1.85 0.56 132.00 128.19 3m4u h PRO 8 Ca 0.18 -0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.44 3m4u h PRO 8 Cb 0.91 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 3m4u h PRO 8 CO 0.38 0.04 0.50 1.98 -0.21 0.00 0.00 178.00 180.70 3m4u h MET 9 N 0.07 0.00 0.00 1.05 1.85 -1.92 -1.25 114.93 114.72 3m4u h MET 9 Ca 0.64 0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 59.67 3m4u h MET 9 Cb 2.38 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 34.41 3m4u h MET 9 CO -0.09 0.00 -0.27 0.00 -0.40 0.00 0.00 176.91 176.15 3m4u h ALA 10 N 1.52 1.41 -0.43 0.39 0.00 -0.18 -3.08 119.26 118.90 3m4u h ALA 10 Ca 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3m4u h ALA 10 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3m4u h ALA 10 CO -0.00 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3m4u n GLN 11 N -4.02 2.52 -2.99 0.00 0.00 -0.47 -4.98 117.38 107.43 3m4u n GLN 11 Ca -0.02 -2.32 -0.34 0.00 0.00 0.00 0.00 57.00 54.32 3m4u n GLN 11 Cb 0.34 -1.51 -0.06 0.00 0.00 0.00 0.00 30.24 29.01 3m4u n GLN 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3m4u s LEU 12 N -1.39 4.15 0.67 2.61 1.02 -1.17 -5.05 118.68 119.52 3m4u s LEU 12 Ca 0.39 1.51 -0.17 0.00 0.02 0.00 0.00 54.13 55.88 3m4u s LEU 12 Cb 0.23 -4.07 -0.02 0.00 0.02 0.00 0.00 46.19 42.34 3m4u s LEU 12 CO 0.31 -0.16 0.89 -1.54 0.02 0.00 0.00 176.35 175.86 3m4u n SER 13 N -0.02 0.29 -0.35 2.29 3.41 -1.26 -4.74 113.62 113.25 3m4u n SER 13 Ca 0.03 0.71 0.08 0.00 -0.26 0.00 0.00 58.87 59.43 3m4u n SER 13 Cb 0.52 -1.36 0.25 0.00 -0.26 0.00 0.00 64.21 63.36 3m4u n SER 13 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3m4u h THR 14 N 0.03 0.84 -0.29 6.66 2.02 -1.97 0.57 112.91 120.76 3m4u h THR 14 Ca -0.48 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.30 3m4u h THR 14 Cb 1.35 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3m4u h THR 14 CO 0.48 0.16 -0.24 -0.09 0.37 0.00 0.00 175.52 176.19 3m4u h ARG 15 N 0.87 0.57 -0.13 6.66 2.43 -2.00 -2.10 114.38 120.68 3m4u h ARG 15 Ca 0.51 -0.22 -0.19 0.00 -0.81 0.00 0.00 59.98 59.27 3m4u h ARG 15 Cb 0.61 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3m4u h ARG 15 CO -0.31 0.77 -0.70 0.00 -1.51 0.00 0.00 179.97 178.22 3m4u h ALA 16 N 1.24 0.53 -0.05 2.80 0.00 -1.61 -1.67 119.26 120.49 3m4u h ALA 16 Ca 0.07 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3m4u h ALA 16 Cb 0.69 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3m4u h ALA 16 CO 0.05 0.72 0.03 1.96 0.00 0.00 0.00 179.25 182.02 3m4u h GLN 17 N 0.40 0.07 -0.59 0.00 4.20 -0.74 0.09 115.11 118.54 3m4u h GLN 17 Ca -0.03 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3m4u h GLN 17 Cb 1.29 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 3m4u h GLN 17 CO 0.13 0.09 0.16 -0.92 -0.67 0.00 0.00 178.83 177.62 3m4u h TYR 18 N 0.03 0.98 -0.44 2.96 3.20 -1.43 -0.54 116.97 121.74 3m4u h TYR 18 Ca 0.02 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 3m4u h TYR 18 Cb 0.04 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 3m4u h TYR 18 CO -0.06 0.83 0.15 1.03 -1.64 0.00 0.00 178.16 178.47 3m4u h SER 19 N 0.85 0.64 -0.10 -2.11 0.87 -1.08 0.11 113.55 112.74 3m4u h SER 19 Ca 0.19 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3m4u h SER 19 Cb 0.33 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 3m4u h SER 19 CO -0.00 0.67 0.05 -0.09 -0.53 0.00 0.00 176.83 176.93 3m4u h ARG 20 N 0.58 0.13 -0.89 2.24 2.43 -0.82 -1.83 114.38 116.22 3m4u h ARG 20 Ca 0.14 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 3m4u h ARG 20 Cb 0.25 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 3m4u h ARG 20 CO -0.01 0.16 0.57 0.52 -1.51 0.00 0.00 179.97 179.71 3m4u h MET 21 N 0.07 1.08 -0.44 0.20 2.86 -0.83 -0.10 114.93 117.77 3m4u h MET 21 Ca 0.03 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3m4u h MET 21 Cb 0.06 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3m4u h MET 21 CO -0.01 0.72 -0.01 -0.56 1.06 0.00 0.00 176.91 178.11 3m4u h GLN 22 N 1.11 0.78 -0.42 1.72 -0.00 -0.58 -1.15 115.11 116.58 3m4u h GLN 22 Ca 0.35 -0.26 -0.01 0.00 -0.00 0.00 0.00 58.65 58.74 3m4u h GLN 22 Cb 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.48 27.40 3m4u h GLN 22 CO -0.12 0.86 0.22 0.00 -0.00 0.00 0.00 178.83 179.78 3m4u h ARG 23 N 0.63 0.60 -0.52 0.06 2.47 -1.08 -2.44 114.38 114.08 3m4u h ARG 23 Ca 0.12 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3m4u h ARG 23 Cb 0.51 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 3m4u h ARG 23 CO 0.02 0.50 0.30 0.93 0.56 0.00 0.00 179.97 182.29 3m4u h GLU 24 N 0.54 0.71 -0.36 0.04 5.08 -0.79 -2.42 114.58 117.39 3m4u h GLU 24 Ca 0.15 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 3m4u h GLU 24 Cb 0.09 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3m4u h GLU 24 CO -0.02 0.53 -0.33 0.35 -1.00 0.00 0.00 179.01 178.54 3m4u h PHE 25 N 0.70 0.93 -0.56 4.33 3.57 -1.14 0.67 116.94 125.43 3m4u h PHE 25 Ca 0.19 -0.25 0.04 0.00 3.53 0.00 0.00 57.97 61.47 3m4u h PHE 25 Cb 0.01 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 3m4u h PHE 25 CO -0.02 1.01 0.32 0.28 -2.23 0.00 0.00 178.31 177.67 3m4u h VAL 26 N 0.66 1.02 -0.59 1.41 2.07 -1.33 0.35 116.25 119.84 3m4u h VAL 26 Ca 0.07 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3m4u h VAL 26 Cb 0.87 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3m4u h VAL 26 CO 0.08 0.11 0.36 -0.61 0.02 0.00 0.00 177.57 177.53 3m4u h GLN 27 N 0.63 0.80 -0.28 1.57 4.15 -0.88 -2.61 115.11 118.49 3m4u h GLN 27 Ca 0.24 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.50 3m4u h GLN 27 Cb 0.08 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3m4u h GLN 27 CO -0.13 0.57 -0.21 -0.07 -1.93 0.00 0.00 178.83 177.07 3m4u h LEU 28 N 0.80 0.50 -1.81 -2.39 3.38 0.03 -2.20 115.31 113.62 3m4u h LEU 28 Ca 0.21 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3m4u h LEU 28 Cb -0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3m4u h LEU 28 CO -0.04 0.72 -0.15 1.56 0.09 0.00 0.00 178.44 180.62 3m4u h GLN 29 N 0.45 0.00 -0.29 1.13 1.08 0.04 -2.47 115.11 115.05 3m4u h GLN 29 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3m4u h GLN 29 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 3m4u h GLN 29 CO 0.04 0.15 0.00 2.89 -0.95 0.00 0.00 178.83 180.96 3m4u n ARG 30 N -3.78 2.12 -0.33 1.46 1.85 -1.02 -4.51 116.66 112.45 3m4u n ARG 30 Ca -0.02 -1.96 -0.00 0.00 -1.00 0.00 0.00 57.85 54.87 3m4u n ARG 30 Cb 0.25 -1.38 0.16 0.00 -1.05 0.00 0.00 32.46 30.45 3m4u n ARG 30 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 3m4u h GLN 31 N 3.26 1.20 -5.64 2.89 4.15 -0.91 -3.41 115.11 116.64 3m4u h GLN 31 Ca 0.00 -0.07 -0.66 0.00 0.77 0.00 0.00 58.65 58.69 3m4u h GLN 31 Cb 0.79 -0.27 -0.12 0.00 0.21 0.00 0.00 27.48 28.10 3m4u h GLN 31 CO 0.00 0.79 -0.54 -1.21 -1.93 0.00 0.00 178.83 175.94 3m4u s GLU 32 N -6.02 3.46 -0.33 1.69 0.41 -1.26 -5.09 118.70 111.56 3m4u s GLU 32 Ca -0.12 -0.26 -0.10 0.00 -0.41 0.00 0.00 54.97 54.07 3m4u s GLU 32 Cb 0.18 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.45 3m4u s GLU 32 CO 0.81 0.62 0.17 1.21 -0.49 0.00 0.00 175.26 177.58 3m4u s ASN 33 N -0.61 5.61 0.35 -0.19 3.84 -1.26 -4.99 114.94 117.68 3m4u s ASN 33 Ca 0.12 -0.66 0.11 0.00 0.21 0.00 0.00 52.86 52.64 3m4u s ASN 33 Cb -0.12 -2.01 0.65 0.00 -0.55 0.00 0.00 41.25 39.22 3m4u s ASN 33 CO 0.02 -0.25 1.79 -0.65 -2.79 0.00 0.00 177.10 175.23 3m4u h PRO 34 N 8.38 0.05 0.00 0.43 0.11 -1.98 -1.48 132.00 137.51 3m4u h PRO 34 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3m4u h PRO 34 Cb 1.13 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3m4u h PRO 34 CO 0.63 0.43 0.00 0.00 -0.21 0.00 0.00 178.00 178.85 3m4u h ARG 35 N 0.04 0.00 -0.54 1.05 -0.00 -2.05 -2.58 114.38 110.30 3m4u h ARG 35 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.36 3m4u h ARG 35 Cb 0.70 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 30.60 3m4u h ARG 35 CO 0.05 0.00 0.12 -1.71 0.00 0.00 0.00 179.97 178.43 3m4u n ASN 36 N -2.46 4.46 -4.17 7.04 5.15 -0.56 -4.94 115.26 119.79 3m4u n ASN 36 Ca 0.01 -3.19 -0.27 0.00 -0.60 0.00 0.00 54.58 50.53 3m4u n ASN 36 Cb 0.23 -0.67 -0.16 0.00 -0.53 0.00 0.00 39.78 38.65 3m4u n ASN 36 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3m4u s ILE 37 N -2.95 1.54 -0.29 -1.44 1.01 -0.97 -4.99 121.20 113.10 3m4u s ILE 37 Ca 0.50 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 3m4u s ILE 37 Cb 0.41 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.58 3m4u s ILE 37 CO 0.11 0.44 1.05 0.21 0.00 0.00 0.00 174.94 176.75 3m4u s ASN 38 N -0.10 6.96 -0.16 3.58 2.47 -1.26 -4.88 114.94 121.54 3m4u s ASN 38 Ca -0.01 1.11 0.15 0.00 0.42 0.00 0.00 52.86 54.53 3m4u s ASN 38 Cb -0.11 -2.53 0.35 0.00 -1.45 0.00 0.00 41.25 37.51 3m4u s ASN 38 CO 0.02 -0.80 1.18 0.49 -3.72 0.00 0.00 177.10 174.26 3m4u n PHE 39 N 6.67 0.00 -0.12 0.43 3.72 -1.26 -1.28 117.46 125.62 3m4u n PHE 39 Ca 0.11 -1.22 -0.04 0.00 -0.05 0.00 0.00 57.45 56.26 3m4u n PHE 39 Cb 0.47 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 3m4u n PHE 39 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3m4u h THR 40 N 0.77 0.00 -0.62 4.37 2.02 -1.89 0.16 112.91 117.71 3m4u h THR 40 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 3m4u h THR 40 Cb 1.03 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 3m4u h THR 40 CO 0.00 0.00 0.35 0.74 0.37 0.00 0.00 175.52 176.98 3m4u h THR 41 N -0.03 0.99 -0.99 3.16 2.02 -1.92 -0.51 112.91 115.63 3m4u h THR 41 Ca 0.05 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.04 3m4u h THR 41 Cb 0.15 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 66.78 3m4u h THR 41 CO -0.29 0.12 0.65 -1.28 0.37 0.00 0.00 175.52 175.09 3m4u h SER 42 N 0.66 1.08 0.74 4.18 0.87 -1.52 -1.37 113.55 118.19 3m4u h SER 42 Ca 0.27 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.72 3m4u h SER 42 Cb 0.14 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3m4u h SER 42 CO -0.16 0.74 -0.48 -0.07 -0.53 0.00 0.00 176.83 176.34 3m4u h LEU 43 N 1.25 0.00 -0.41 2.23 3.38 0.77 -2.56 115.31 119.97 3m4u h LEU 43 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3m4u h LEU 43 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3m4u h LEU 43 CO -0.12 0.48 0.00 0.29 0.09 0.00 0.00 178.44 179.18 3m4u n LYS 44 N -3.66 0.16 -0.70 1.13 5.02 -0.46 -3.39 118.16 116.27 3m4u n LYS 44 Ca -0.01 0.33 -0.00 0.00 -2.02 0.00 0.00 58.31 56.61 3m4u n LYS 44 Cb 0.55 -1.77 0.20 0.00 -0.02 0.00 0.00 35.03 34.00 3m4u n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3m4u n ASN 45 N -2.05 2.34 -0.35 4.39 3.02 -0.97 -4.81 115.26 116.83 3m4u n ASN 45 Ca 0.03 -3.74 0.33 0.00 -0.03 0.00 0.00 54.58 51.18 3m4u n ASN 45 Cb 0.26 -0.59 0.60 0.00 -0.61 0.00 0.00 39.78 39.43 3m4u n ASN 45 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3m4u n ARG 46 N -1.10 -0.05 0.00 3.52 5.12 -1.22 0.38 116.66 123.31 3m4u n ARG 46 Ca 0.28 1.33 0.07 0.00 -1.93 0.00 0.00 57.85 57.60 3m4u n ARG 46 Cb 0.92 -2.44 0.31 0.00 -1.16 0.00 0.00 32.46 30.09 3m4u n ARG 46 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 3m4u n HIS 47 N -5.10 0.00 -0.16 -1.55 1.44 -1.26 -1.42 115.22 107.18 3m4u n HIS 47 Ca 0.38 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 56.13 3m4u n HIS 47 Cb 1.33 -0.47 0.10 0.00 0.12 0.00 0.00 29.99 31.07 3m4u n HIS 47 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3m4u n LYS 48 N -1.47 2.89 -3.35 -1.40 5.02 0.16 -4.82 118.16 115.19 3m4u n LYS 48 Ca 0.04 -1.88 -0.38 0.00 -2.02 0.00 0.00 58.31 54.07 3m4u n LYS 48 Cb 0.16 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3m4u n LYS 48 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3m4u s ASN 49 N -1.07 6.68 0.11 4.39 0.01 -0.50 -4.58 114.94 119.97 3m4u s ASN 49 Ca 0.15 0.81 -0.14 0.00 -0.71 0.00 0.00 52.86 52.97 3m4u s ASN 49 Cb 0.09 -2.28 -0.08 0.00 0.41 0.00 0.00 41.25 39.39 3m4u s ASN 49 CO 0.09 0.04 1.42 -0.09 -1.51 0.00 0.00 177.10 177.05 3m4u h ARG 50 N 6.53 0.74 -5.46 -0.60 2.43 -1.87 -3.44 114.38 112.71 3m4u h ARG 50 Ca -0.42 -0.40 -0.65 0.00 -0.81 0.00 0.00 59.98 57.70 3m4u h ARG 50 Cb 1.18 0.02 -0.32 0.00 -0.42 0.00 0.00 29.97 30.43 3m4u h ARG 50 CO 0.74 1.03 -0.87 0.71 -1.51 0.00 0.00 179.97 180.07 3m4u s TYR 51 N -4.33 2.27 0.26 2.20 2.02 -1.26 -5.03 117.35 113.48 3m4u s TYR 51 Ca -0.12 -0.80 -0.03 0.00 -0.37 0.00 0.00 57.07 55.74 3m4u s TYR 51 Cb 0.09 -1.52 0.54 0.00 -0.40 0.00 0.00 41.96 40.67 3m4u s TYR 51 CO 0.84 -0.30 1.65 1.25 -1.57 0.00 0.00 175.55 177.42 3m4u h LEU 52 N 6.46 -0.18 -2.89 -1.29 5.85 -1.95 -2.91 115.31 118.41 3m4u h LEU 52 Ca -0.27 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3m4u h LEU 52 Cb 1.20 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3m4u h LEU 52 CO 0.47 -0.15 0.00 0.47 -0.34 0.00 0.00 178.44 178.89 3m4u n ASP 53 N -5.28 3.20 -4.40 1.25 8.00 -1.26 -4.84 116.55 113.22 3m4u n ASP 53 Ca 0.16 -2.06 -0.43 0.00 0.71 0.00 0.00 54.79 53.18 3m4u n ASP 53 Cb 0.55 -0.30 -0.09 0.00 -0.02 0.00 0.00 41.12 41.25 3m4u n ASP 53 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3m4u s ILE 54 N -1.11 5.00 0.12 0.53 -1.09 -1.10 -5.07 121.20 118.49 3m4u s ILE 54 Ca 0.29 -0.92 0.07 0.00 -2.23 0.00 0.00 60.65 57.87 3m4u s ILE 54 Cb 0.16 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 3m4u s ILE 54 CO 0.19 -0.41 -0.17 -0.76 -1.23 0.00 0.00 174.94 172.56 3m4u s LEU 55 N 1.61 2.37 -0.31 2.97 1.43 -1.26 -4.71 118.68 120.78 3m4u s LEU 55 Ca 0.04 -0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 52.17 3m4u s LEU 55 Cb -0.21 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 3m4u s LEU 55 CO 0.07 -0.05 0.64 0.00 0.23 0.00 0.00 176.35 177.24 3m4u s ALA 56 N -1.73 3.52 0.16 4.21 0.00 -1.26 -4.69 121.76 121.97 3m4u s ALA 56 Ca 0.09 -0.67 -0.31 0.00 0.00 0.00 0.00 51.96 51.06 3m4u s ALA 56 Cb -0.07 -3.12 -0.17 0.00 0.00 0.00 0.00 23.12 19.76 3m4u s ALA 56 CO 0.04 -1.12 0.83 0.09 0.00 0.00 0.00 175.76 175.61 3m4u n ASN 57 N 5.92 -0.11 0.29 0.00 4.13 -1.26 -4.53 115.26 119.69 3m4u n ASN 57 Ca -0.01 1.15 -0.17 0.00 1.68 0.00 0.00 54.58 57.23 3m4u n ASN 57 Cb 0.49 -1.04 -0.08 0.00 -1.54 0.00 0.00 39.78 37.60 3m4u n ASN 57 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3m4u h GLU 58 N 2.04 -0.74 -0.99 3.52 4.39 -1.55 -2.70 114.58 118.56 3m4u h GLU 58 Ca -0.37 0.05 0.21 0.00 0.34 0.00 0.00 59.36 59.59 3m4u h GLU 58 Cb 1.40 0.17 -0.12 0.00 -0.10 0.00 0.00 28.75 30.11 3m4u h GLU 58 CO 0.62 -0.49 0.58 0.93 -1.16 0.00 0.00 179.01 179.48 3m4u h GLU 59 N -0.77 0.63 -0.19 2.33 5.08 -1.91 -2.04 114.58 117.72 3m4u h GLU 59 Ca -0.06 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3m4u h GLU 59 Cb 0.62 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3m4u h GLU 59 CO 0.06 0.42 -0.01 0.25 -1.00 0.00 0.00 179.01 178.73 3m4u n THR 60 N -4.85 2.19 -1.98 1.13 -2.24 -1.22 -5.03 114.28 102.28 3m4u n THR 60 Ca 0.24 -2.07 -0.39 0.00 -2.27 0.00 0.00 64.05 59.56 3m4u n THR 60 Cb 0.65 -0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.63 3m4u n THR 60 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3m4u s ILE 61 N -2.88 2.46 -0.02 2.28 2.07 -0.77 -0.20 121.20 124.14 3m4u s ILE 61 Ca 0.39 0.40 0.01 0.00 -1.41 0.00 0.00 60.65 60.04 3m4u s ILE 61 Cb 0.33 -3.22 0.01 0.00 0.13 0.00 0.00 42.46 39.70 3m4u s ILE 61 CO 0.06 0.04 -0.04 -0.47 -1.91 0.00 0.00 174.94 172.62 3m4u s TYR 62 N -1.29 0.53 0.69 3.50 5.04 -0.40 -3.45 117.35 121.97 3m4u s TYR 62 Ca 0.61 -0.11 -0.15 0.00 -2.44 0.00 0.00 57.07 54.98 3m4u s TYR 62 Cb -0.39 -0.43 0.02 0.00 0.35 0.00 0.00 41.96 41.51 3m4u s TYR 62 CO 0.49 -0.08 1.15 -2.14 -1.34 0.00 0.00 175.55 173.63 3m4u s PRO 63 N 0.37 2.51 0.35 4.97 0.02 -1.26 -3.54 135.00 138.42 3m4u s PRO 63 Ca -0.04 1.56 -0.28 0.00 0.02 0.00 0.00 61.00 62.25 3m4u s PRO 63 Cb -0.08 -1.90 -0.12 0.00 0.02 0.00 0.00 34.50 32.43 3m4u s PRO 63 CO -0.00 -1.51 1.43 -2.30 -0.33 0.00 0.00 177.00 174.29 3m4u n PRO 64 N -2.53 2.48 -2.66 5.54 -0.02 -1.22 -4.91 135.00 131.67 3m4u n PRO 64 Ca 0.12 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 62.05 3m4u n PRO 64 Cb 0.51 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 3m4u n PRO 64 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3m4u s VAL 65 N -0.95 4.01 0.00 -1.45 -7.23 -1.26 -5.00 120.40 108.52 3m4u s VAL 65 Ca 0.56 0.39 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 3m4u s VAL 65 Cb -0.51 -4.77 0.00 0.00 0.56 0.00 0.00 36.38 31.66 3m4u s VAL 65 CO 0.61 -1.53 0.25 0.18 -0.31 0.00 0.00 175.10 174.30 3m4u n LEU 66 N 8.53 0.00 0.00 1.32 4.77 -1.26 -5.22 117.00 125.14 3m4u n LEU 66 Ca 0.03 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3m4u n LEU 66 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3m4u n LEU 66 CO 0.69 0.33 0.00 0.00 -1.33 0.00 0.00 177.39 177.08 3m4u n TYR 76 N 0.00 0.00 -2.29 -1.77 4.19 -1.26 -5.29 117.16 110.74 3m4u n TYR 76 Ca 0.00 0.00 -0.38 0.00 3.31 0.00 0.00 57.90 60.83 3m4u n TYR 76 Cb 0.51 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.32 3m4u n TYR 76 CO 0.00 0.00 0.00 -2.14 0.91 0.00 0.00 176.86 175.63 3m4u s PRO 77 N -0.33 4.02 -0.02 2.98 0.02 -1.26 -5.04 135.00 135.38 3m4u s PRO 77 Ca 0.00 1.83 0.02 0.00 0.02 0.00 0.00 61.00 62.87 3m4u s PRO 77 Cb 0.00 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.88 3m4u s PRO 77 CO 0.00 -0.34 -0.06 -0.47 -0.33 0.00 0.00 177.00 175.80 3m4u s TYR 78 N -1.43 0.62 0.00 6.54 5.04 -1.26 -4.56 117.35 122.30 3m4u s TYR 78 Ca 0.58 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 3m4u s TYR 78 Cb -0.30 -0.46 0.00 0.00 0.35 0.00 0.00 41.96 41.55 3m4u s TYR 78 CO 0.38 -0.06 0.41 0.44 -1.34 0.00 0.00 175.55 175.38 3m4u n ILE 79 N 3.24 0.10 -3.56 3.14 -5.35 -1.26 -4.63 119.36 111.05 3m4u n ILE 79 Ca -0.17 -0.13 -0.25 0.00 -0.27 0.00 0.00 62.75 61.94 3m4u n ILE 79 Cb 0.56 1.23 0.05 0.00 -1.74 0.00 0.00 39.64 39.73 3m4u n ILE 79 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3m4u n ASN 80 N -0.05 -4.82 -4.35 7.28 2.85 -1.26 -4.06 115.26 110.84 3m4u n ASN 80 Ca 0.00 -0.89 -0.18 0.00 -0.11 0.00 0.00 54.58 53.40 3m4u n ASN 80 Cb 0.38 -4.06 -0.10 0.00 1.24 0.00 0.00 39.78 37.23 3m4u n ASN 80 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3m4u s GLY 81 N -3.64 1.50 0.01 8.20 0.00 -1.23 -2.94 107.32 109.23 3m4u s GLY 81 Ca 0.37 -1.72 0.01 0.00 0.00 0.00 0.00 44.72 43.38 3m4u s GLY 81 CO 0.82 -1.73 -0.04 -1.31 0.00 0.00 0.00 173.10 170.84 3m4u s ASN 82 N -3.32 0.43 -0.07 1.64 0.01 -0.02 -1.28 114.94 112.34 3m4u s ASN 82 Ca 0.25 -0.29 -0.30 0.00 -0.71 0.00 0.00 52.86 51.81 3m4u s ASN 82 Cb 0.03 0.02 -0.03 0.00 0.41 0.00 0.00 41.25 41.67 3m4u s ASN 82 CO 0.07 -0.11 1.29 -0.22 -1.51 0.00 0.00 177.10 176.63 3m4u s LEU 83 N -0.79 4.27 -0.54 0.60 2.96 0.72 -0.81 118.68 125.08 3m4u s LEU 83 Ca -0.06 1.88 -0.04 0.00 -0.22 0.00 0.00 54.13 55.69 3m4u s LEU 83 Cb -0.06 -3.55 0.14 0.00 0.50 0.00 0.00 46.19 43.22 3m4u s LEU 83 CO -0.00 -0.68 0.36 -0.63 -1.32 0.00 0.00 176.35 174.08 3m4u s ILE 84 N 2.70 3.74 -0.36 6.68 -1.09 0.27 -4.95 121.20 128.17 3m4u s ILE 84 Ca 0.59 -2.46 -0.04 0.00 -2.23 0.00 0.00 60.65 56.50 3m4u s ILE 84 Cb -0.26 -3.47 0.07 0.00 -1.58 0.00 0.00 42.46 37.22 3m4u s ILE 84 CO 0.22 -0.81 0.13 -0.62 -1.23 0.00 0.00 174.94 172.63 3m4u s ASP 85 N 1.43 5.21 -0.20 3.58 -1.08 -1.26 -1.20 116.67 123.15 3m4u s ASP 85 Ca 0.12 -1.57 0.16 0.00 -0.52 0.00 0.00 52.55 50.75 3m4u s ASP 85 Cb -0.21 -1.82 0.62 0.00 -1.46 0.00 0.00 42.92 40.04 3m4u s ASP 85 CO -0.04 -0.42 1.52 0.18 0.52 0.00 0.00 175.17 176.94 3m4u n LEU 86 N 4.69 4.45 -2.92 -1.34 4.77 -1.26 -4.94 117.00 120.45 3m4u n LEU 86 Ca -0.08 -3.01 -0.13 0.00 -0.03 0.00 0.00 56.01 52.75 3m4u n LEU 86 Cb 0.43 -0.59 0.07 0.00 -2.33 0.00 0.00 43.42 41.00 3m4u n LEU 86 CO 0.32 0.67 0.09 -0.67 -1.33 0.00 0.00 177.39 176.46 3m4u n ASP 87 N -0.20 -2.09 -4.57 -1.43 2.03 -1.26 -5.04 116.55 103.98 3m4u n ASP 87 Ca 0.24 -0.49 -0.26 0.00 0.52 0.00 0.00 54.79 54.79 3m4u n ASP 87 Cb 0.99 -4.16 -0.11 0.00 -0.72 0.00 0.00 41.12 37.12 3m4u n ASP 87 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3m4u s LEU 88 N -5.44 2.72 0.37 -2.67 1.43 -1.26 -5.03 118.68 108.80 3m4u s LEU 88 Ca 0.01 -1.34 0.10 0.00 -1.03 0.00 0.00 54.13 51.86 3m4u s LEU 88 Cb -0.00 -0.81 0.86 0.00 0.03 0.00 0.00 46.19 46.27 3m4u s LEU 88 CO 0.58 -0.44 1.90 -0.65 0.23 0.00 0.00 176.35 177.97 3m4u h PRO 89 N 1.89 0.62 -6.11 1.29 0.11 -2.02 -3.40 132.00 124.38 3m4u h PRO 89 Ca -0.43 -0.04 -0.65 0.00 0.11 0.00 0.00 66.00 64.99 3m4u h PRO 89 Cb 1.24 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 32.11 3m4u h PRO 89 CO 0.77 0.41 -0.60 -1.01 -0.21 0.00 0.00 178.00 177.36 3m4u s HIS 90 N -5.61 3.21 0.33 0.65 3.76 -1.26 -5.09 115.29 111.28 3m4u s HIS 90 Ca -0.09 0.13 0.08 0.00 -0.15 0.00 0.00 55.06 55.03 3m4u s HIS 90 Cb 0.21 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 3m4u s HIS 90 CO 0.78 0.52 0.12 0.95 -0.85 0.00 0.00 174.74 176.27 3m4u s THR 91 N -1.27 3.10 0.15 1.30 -4.23 -1.26 -4.75 115.64 108.68 3m4u s THR 91 Ca 0.25 -1.72 0.06 0.00 -1.18 0.00 0.00 61.69 59.10 3m4u s THR 91 Cb -0.12 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 3m4u s THR 91 CO 0.17 -0.21 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.56 3m4u s PHE 92 N -2.41 1.40 -0.16 3.99 0.08 -0.34 -0.30 117.98 120.23 3m4u s PHE 92 Ca 0.37 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.77 3m4u s PHE 92 Cb -0.03 -0.70 0.01 0.00 -0.57 0.00 0.00 43.02 41.73 3m4u s PHE 92 CO 0.22 0.16 -0.19 0.08 -0.10 0.00 0.00 175.22 175.40 3m4u s VAL 93 N -2.94 2.28 -0.26 -0.44 1.01 -0.55 0.94 120.40 120.45 3m4u s VAL 93 Ca 0.16 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3m4u s VAL 93 Cb -0.00 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3m4u s VAL 93 CO 0.03 0.53 0.06 0.00 0.00 0.00 0.00 175.10 175.72 3m4u s ALA 94 N 0.99 3.10 0.17 5.51 0.00 0.01 -0.79 121.76 130.75 3m4u s ALA 94 Ca -0.02 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 3m4u s ALA 94 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 3m4u s ALA 94 CO -0.05 -0.57 0.22 0.00 0.00 0.00 0.00 175.76 175.36 3m4u s GLN 96 N -4.02 1.35 -0.03 0.00 -2.07 -1.15 -3.48 119.66 110.26 3m4u s GLN 96 Ca 0.22 0.60 -0.30 0.00 -1.82 0.00 0.00 55.36 54.06 3m4u s GLN 96 Cb 0.05 -1.84 -0.04 0.00 -1.09 0.00 0.00 33.01 30.09 3m4u s GLN 96 CO 0.03 -2.12 1.26 0.00 -1.32 0.00 0.00 175.29 173.14 3m4u s ALA 97 N -3.08 3.52 0.27 2.60 0.00 -0.63 -4.79 121.76 119.65 3m4u s ALA 97 Ca 0.63 0.72 -0.31 0.00 0.00 0.00 0.00 51.96 53.00 3m4u s ALA 97 Cb -0.16 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.30 3m4u s ALA 97 CO 0.55 -0.80 1.60 -0.35 0.00 0.00 0.00 175.76 176.76 3m4u n PRO 98 N 5.20 2.63 -1.65 0.00 -0.04 -1.26 -4.80 135.00 135.08 3m4u n PRO 98 Ca 0.12 0.94 -0.30 0.00 -0.04 0.00 0.00 63.50 64.21 3m4u n PRO 98 Cb 0.45 -2.72 0.06 0.00 -0.04 0.00 0.00 33.50 31.26 3m4u n PRO 98 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3m4u s VAL 99 N 0.20 3.59 0.25 0.52 -7.23 -1.26 -4.07 120.40 112.40 3m4u s VAL 99 Ca 0.67 0.52 -0.03 0.00 -1.81 0.00 0.00 61.98 61.32 3m4u s VAL 99 Cb -0.52 -3.33 0.22 0.00 0.56 0.00 0.00 36.38 33.31 3m4u s VAL 99 CO 0.46 -0.67 1.77 -0.65 -0.31 0.00 0.00 175.10 175.69 3m4u h PRO 100 N -0.83 0.60 0.00 4.82 0.11 -1.95 0.27 132.00 135.02 3m4u h PRO 100 Ca -0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3m4u h PRO 100 Cb 1.24 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3m4u h PRO 100 CO 0.60 0.39 -0.13 0.37 -0.21 0.00 0.00 178.00 179.02 3m4u h GLN 101 N 0.61 0.00 -0.01 1.05 4.15 -1.93 -2.87 115.11 116.11 3m4u h GLN 101 Ca 0.42 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.84 3m4u h GLN 101 Cb 0.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.23 3m4u h GLN 101 CO -0.33 0.13 -0.24 0.41 -1.93 0.00 0.00 178.83 176.87 3m4u n GLY 102 N -0.44 -0.05 0.24 2.39 0.00 0.89 -4.45 105.19 103.76 3m4u n GLY 102 Ca -0.01 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 3m4u n GLY 102 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3m4u h VAL 103 N 2.34 1.22 -0.33 1.61 2.07 -1.14 -1.41 116.25 120.62 3m4u h VAL 103 Ca 0.00 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.84 3m4u h VAL 103 Cb 0.66 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 3m4u h VAL 103 CO 0.00 0.27 0.10 -0.65 0.02 0.00 0.00 177.57 177.31 3m4u h PRO 104 N 0.69 0.22 -1.00 1.57 0.11 -1.79 0.86 132.00 132.66 3m4u h PRO 104 Ca 0.17 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.38 3m4u h PRO 104 Cb 0.24 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.21 3m4u h PRO 104 CO -0.01 0.15 0.63 -0.44 -0.21 0.00 0.00 178.00 178.12 3m4u h ASP 105 N 0.23 0.94 0.79 -2.05 5.19 -1.79 0.24 116.42 119.96 3m4u h ASP 105 Ca 0.15 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 3m4u h ASP 105 Cb 0.14 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 39.52 3m4u h ASP 105 CO -0.17 0.50 -0.38 0.15 -3.12 0.00 0.00 179.24 176.22 3m4u h PHE 106 N 1.01 -0.98 -0.67 4.55 3.57 -0.25 -1.28 116.94 122.89 3m4u h PHE 106 Ca 0.49 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 62.03 3m4u h PHE 106 Cb 0.46 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.47 3m4u h PHE 106 CO -0.00 -0.60 0.37 -0.07 -2.23 0.00 0.00 178.31 175.78 3m4u h LEU 107 N -1.23 0.55 -0.47 0.59 3.38 -0.65 -2.07 115.31 115.41 3m4u h LEU 107 Ca -0.11 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3m4u h LEU 107 Cb 0.83 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3m4u h LEU 107 CO 0.18 0.36 0.27 -0.08 0.09 0.00 0.00 178.44 179.26 3m4u h GLU 108 N 0.69 0.53 -0.60 1.13 4.81 -0.53 -2.37 114.58 118.23 3m4u h GLU 108 Ca 0.30 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3m4u h GLU 108 Cb 0.19 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3m4u h GLU 108 CO -0.18 0.35 0.34 1.15 -0.73 0.00 0.00 179.01 179.93 3m4u h THR 109 N 0.54 1.19 -0.97 0.32 2.02 -0.57 0.71 112.91 116.15 3m4u h THR 109 Ca 0.19 -0.47 0.11 0.00 0.77 0.00 0.00 66.41 67.02 3m4u h THR 109 Cb 0.04 0.41 -0.08 0.00 -1.74 0.00 0.00 68.15 66.77 3m4u h THR 109 CO -0.10 0.20 0.60 -0.07 0.37 0.00 0.00 175.52 176.53 3m4u h LEU 110 N 0.81 0.89 0.23 2.58 3.38 -0.97 0.54 115.31 122.78 3m4u h LEU 110 Ca 0.21 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3m4u h LEU 110 Cb 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3m4u h LEU 110 CO -0.04 0.49 -0.11 -1.28 0.09 0.00 0.00 178.44 177.59 3m4u h SER 111 N 0.97 -0.27 -0.79 -0.43 0.87 -0.84 -1.56 113.55 111.51 3m4u h SER 111 Ca 0.47 -0.20 0.16 0.00 -1.23 0.00 0.00 61.79 61.00 3m4u h SER 111 Cb 0.44 0.07 -0.15 0.00 -0.44 0.00 0.00 62.40 62.32 3m4u h SER 111 CO -0.26 0.25 -0.18 -0.33 -0.53 0.00 0.00 176.83 175.78 3m4u h GLU 112 N -0.98 0.01 -0.01 2.24 4.39 -0.75 -0.81 114.58 118.67 3m4u h GLU 112 Ca -0.03 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3m4u h GLU 112 Cb 0.45 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3m4u h GLU 112 CO 0.05 0.00 -0.19 1.63 -1.16 0.00 0.00 179.01 179.35 3m4u n LYS 113 N -5.51 1.12 -3.53 2.33 4.76 0.17 -4.95 118.16 112.56 3m4u n LYS 113 Ca 0.11 -0.69 -0.20 0.00 -2.87 0.00 0.00 58.31 54.67 3m4u n LYS 113 Cb 0.41 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 32.19 3m4u n LYS 113 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3m4u n LYS 114 N -0.34 -6.74 -2.27 1.97 4.01 -0.31 -4.85 118.16 109.64 3m4u n LYS 114 Ca 0.14 0.81 -0.42 0.00 -0.51 0.00 0.00 58.31 58.32 3m4u n LYS 114 Cb 0.36 -5.78 -0.03 0.00 -0.51 0.00 0.00 35.03 29.08 3m4u n LYS 114 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3m4u s VAL 115 N -3.38 3.61 -0.12 -0.18 1.01 -0.74 -4.62 120.40 115.97 3m4u s VAL 115 Ca 0.19 1.14 0.19 0.00 0.00 0.00 0.00 61.98 63.50 3m4u s VAL 115 Cb -0.08 -3.73 -0.22 0.00 0.00 0.00 0.00 36.38 32.34 3m4u s VAL 115 CO 0.74 0.08 0.52 0.47 0.00 0.00 0.00 175.10 176.92 3m4u n ASP 116 N 4.04 0.34 -3.83 3.32 8.00 -1.26 -4.61 116.55 122.56 3m4u n ASP 116 Ca 0.11 0.15 -0.22 0.00 0.71 0.00 0.00 54.79 55.54 3m4u n ASP 116 Cb 0.44 1.01 -0.17 0.00 -0.02 0.00 0.00 41.12 42.38 3m4u n ASP 116 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3m4u s LEU 117 N -5.26 0.95 -0.16 0.64 2.96 -1.26 -1.01 118.68 115.55 3m4u s LEU 117 Ca -0.06 -0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 3m4u s LEU 117 Cb 0.10 -0.45 -0.02 0.00 0.50 0.00 0.00 46.19 46.32 3m4u s LEU 117 CO 0.85 -0.13 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.98 3m4u s VAL 118 N 1.47 3.42 -0.21 1.68 1.01 0.08 -1.50 120.40 126.36 3m4u s VAL 118 Ca -0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 3m4u s VAL 118 Cb -0.13 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3m4u s VAL 118 CO -0.03 0.49 -0.01 -0.69 0.00 0.00 0.00 175.10 174.87 3m4u s VAL 119 N 0.55 3.81 -0.27 2.92 1.01 0.61 -0.37 120.40 128.66 3m4u s VAL 119 Ca -0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 3m4u s VAL 119 Cb -0.15 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.52 3m4u s VAL 119 CO 0.03 0.42 0.00 -0.32 0.00 0.00 0.00 175.10 175.24 3m4u s MET 120 N 1.13 2.94 -0.17 2.72 0.00 0.44 -1.40 119.30 124.95 3m4u s MET 120 Ca 0.02 -0.93 0.16 0.00 0.00 0.00 0.00 55.69 54.94 3m4u s MET 120 Cb -0.14 -3.17 0.77 0.00 0.00 0.00 0.00 34.83 32.29 3m4u s MET 120 CO 0.01 -0.43 1.69 1.28 0.00 0.00 0.00 175.02 177.57 3m4u n LEU 121 N 4.76 5.22 -4.14 4.11 4.77 -0.65 -0.73 117.00 130.34 3m4u n LEU 121 Ca -0.15 -2.69 -0.14 0.00 -0.03 0.00 0.00 56.01 53.00 3m4u n LEU 121 Cb 0.47 -0.63 -0.11 0.00 -2.33 0.00 0.00 43.42 40.82 3m4u n LEU 121 CO 0.29 0.73 -0.42 0.28 -1.33 0.00 0.00 177.39 176.94 3m4u s THR 122 N -2.29 0.84 0.86 -5.08 -1.32 -1.23 -4.60 115.64 102.80 3m4u s THR 122 Ca 0.53 -1.47 -0.12 0.00 -1.21 0.00 0.00 61.69 59.43 3m4u s THR 122 Cb 0.37 -1.14 0.10 0.00 -1.51 0.00 0.00 72.50 70.32 3m4u s THR 122 CO 0.20 -0.49 1.10 -0.54 -2.21 0.00 0.00 174.62 172.69 3m4u s LYS 123 N -2.40 1.60 0.11 7.08 1.02 -1.26 -4.82 119.74 121.07 3m4u s LYS 123 Ca 0.01 0.63 -0.14 0.00 0.02 0.00 0.00 55.97 56.49 3m4u s LYS 123 Cb -0.05 -1.86 -0.07 0.00 -0.52 0.00 0.00 37.83 35.33 3m4u s LYS 123 CO 0.00 -1.96 1.45 -0.07 -0.92 0.00 0.00 175.35 173.86 3m4u h LEU 124 N -1.34 0.79 -7.61 3.17 3.38 -1.94 -3.35 115.31 108.41 3m4u h LEU 124 Ca -0.49 -0.45 -0.14 0.00 0.09 0.00 0.00 57.88 56.89 3m4u h LEU 124 Cb 1.29 -0.22 -0.22 0.00 0.09 0.00 0.00 40.66 41.60 3m4u h LEU 124 CO 0.58 1.07 -0.42 0.00 0.09 0.00 0.00 178.44 179.76 3m4u s ARG 125 N -4.47 0.48 -0.39 1.13 1.70 -1.26 -0.30 118.95 115.83 3m4u s ARG 125 Ca -0.12 -0.14 -0.10 0.00 -0.47 0.00 0.00 55.73 54.90 3m4u s ARG 125 Cb 0.09 0.21 0.05 0.00 -0.57 0.00 0.00 34.95 34.73 3m4u s ARG 125 CO 0.83 -0.11 0.22 -1.21 -1.08 0.00 0.00 175.30 173.96 3m4u s GLU 126 N -0.94 2.72 8.00 3.89 2.02 -0.73 -4.96 118.70 128.69 3m4u s GLU 126 Ca -0.10 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 53.64 3m4u s GLU 126 Cb -0.05 -3.74 0.00 0.00 0.10 0.00 0.00 34.13 30.44 3m4u s GLU 126 CO 0.02 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 174.90 3m4u n GLY 127 N 4.96 3.63 0.14 -1.39 0.00 -1.26 -1.73 105.19 109.54 3m4u n GLY 127 Ca -0.11 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.94 3m4u n GLY 127 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3m4u h GLY 128 N 0.00 0.00 -4.60 -0.02 0.00 -2.03 -3.46 103.07 92.97 3m4u h GLY 128 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3m4u h GLY 128 CO 0.00 0.00 0.55 0.14 0.00 0.00 0.00 176.54 177.23 3m4u s VAL 129 N -3.16 4.49 0.09 4.60 1.01 -0.70 -5.01 120.40 121.72 3m4u s VAL 129 Ca 0.09 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.57 3m4u s VAL 129 Cb 0.10 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3m4u s VAL 129 CO 0.59 0.07 0.93 -0.22 0.00 0.00 0.00 175.10 176.47 3m4u s LEU 130 N 1.57 4.48 0.00 3.92 2.96 -1.26 -1.78 118.68 128.57 3m4u s LEU 130 Ca 0.54 1.72 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 3m4u s LEU 130 Cb -0.23 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 42.93 3m4u s LEU 130 CO 0.24 -0.07 0.00 0.29 -1.32 0.00 0.00 176.35 175.49 3m4u n LYS 131 N 2.90 2.10 -3.45 1.98 4.76 0.58 -4.94 118.16 122.10 3m4u n LYS 131 Ca 0.02 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.34 3m4u n LYS 131 Cb 0.50 -0.90 -0.02 0.00 -1.84 0.00 0.00 35.03 32.77 3m4u n LYS 131 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m4u s ALA 132 N -1.80 -1.57 -0.17 7.82 0.00 -0.60 -4.56 121.76 120.88 3m4u s ALA 132 Ca 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 3m4u s ALA 132 Cb 0.00 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 3m4u s ALA 132 CO 0.00 -0.79 -0.07 -2.00 0.00 0.00 0.00 175.76 172.90 3m4u s GLU 133 N -3.76 3.46 0.23 0.00 2.56 -1.26 -4.71 118.70 115.22 3m4u s GLU 133 Ca 0.02 -0.62 -0.32 0.00 0.00 0.00 0.00 54.97 54.05 3m4u s GLU 133 Cb -0.01 -2.86 -0.12 0.00 2.00 0.00 0.00 34.13 33.13 3m4u s GLU 133 CO -0.12 0.05 1.63 -2.13 -0.56 0.00 0.00 175.26 174.13 3m4u n ARG 134 N 4.06 2.59 -0.38 4.30 0.63 -1.26 -4.85 116.66 121.74 3m4u n ARG 134 Ca -0.18 0.93 0.04 0.00 -0.92 0.00 0.00 57.85 57.72 3m4u n ARG 134 Cb 0.52 -2.73 0.06 0.00 0.45 0.00 0.00 32.46 30.77 3m4u n ARG 134 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 3m4u n TYR 135 N 3.13 0.00 -4.36 -0.14 0.18 -1.26 -5.04 117.16 109.66 3m4u n TYR 135 Ca 0.13 -0.47 -0.27 0.00 1.88 0.00 0.00 57.90 59.17 3m4u n TYR 135 Cb 0.34 -0.10 -0.13 0.00 -0.38 0.00 0.00 39.34 39.07 3m4u n TYR 135 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 3m4u s TRP 136 N -1.26 2.16 0.60 -3.48 -2.14 -1.26 -4.96 118.94 108.60 3m4u s TRP 136 Ca 0.16 -0.39 -0.20 0.00 2.66 0.00 0.00 56.10 58.33 3m4u s TRP 136 Cb 0.14 -1.17 -0.03 0.00 -3.10 0.00 0.00 33.47 29.31 3m4u s TRP 136 CO 0.00 0.30 1.33 -2.14 -2.66 0.00 0.00 176.95 173.78 3m4u s PRO 137 N -2.01 2.84 0.15 3.25 0.02 -1.26 -4.99 135.00 133.00 3m4u s PRO 137 Ca 0.12 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.31 3m4u s PRO 137 Cb -0.10 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 3m4u s PRO 137 CO 0.05 -1.41 0.02 -1.21 -0.33 0.00 0.00 177.00 174.12 3m4u s GLU 138 N -3.14 1.02 0.00 5.54 2.02 -1.26 -4.95 118.70 117.93 3m4u s GLU 138 Ca 0.77 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 54.28 3m4u s GLU 138 Cb -0.39 -0.09 0.00 0.00 0.10 0.00 0.00 34.13 33.75 3m4u s GLU 138 CO 0.44 -0.17 0.00 -0.85 0.02 0.00 0.00 175.26 174.71 3m4u n GLU 139 N -0.17 0.00 -0.15 1.61 0.00 -1.26 -4.57 120.64 116.10 3m4u n GLU 139 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 3m4u n GLU 139 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.07 3m4u n GLU 139 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3m4u n GLU 141 N 0.00 0.00 -0.20 3.44 1.02 -1.26 -5.10 120.64 118.55 3m4u n GLU 141 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 3m4u n GLU 141 Cb 0.00 -0.06 0.15 0.00 -0.02 0.00 0.00 31.44 31.51 3m4u n GLU 141 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3m4u n ASP 142 N -0.04 2.92 -3.64 1.62 9.92 -1.26 -4.80 116.55 121.26 3m4u n ASP 142 Ca 0.00 -2.39 -0.08 0.00 -0.53 0.00 0.00 54.79 51.79 3m4u n ASP 142 Cb 0.00 -0.29 -0.07 0.00 -0.64 0.00 0.00 41.12 40.12 3m4u n ASP 142 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3m4u s SER 143 N -1.46 -0.65 0.03 -2.24 0.15 -1.26 -3.59 113.70 104.68 3m4u s SER 143 Ca 0.24 1.12 0.04 0.00 0.70 0.00 0.00 55.95 58.05 3m4u s SER 143 Cb 0.17 1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 65.67 3m4u s SER 143 CO 0.09 -0.18 -0.11 -0.76 1.20 0.00 0.00 173.24 173.48 3m4u s LEU 144 N 0.92 2.17 0.00 3.45 1.43 0.39 -4.88 118.68 122.17 3m4u s LEU 144 Ca -0.04 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 3m4u s LEU 144 Cb -0.05 -0.42 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 3m4u s LEU 144 CO -0.11 -0.03 -0.09 -0.44 0.23 0.00 0.00 176.35 175.92 3m4u s SER 145 N -1.10 1.03 0.00 2.29 0.01 -1.26 -0.54 113.70 114.13 3m4u s SER 145 Ca -0.02 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.03 3m4u s SER 145 Cb -0.07 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.06 3m4u s SER 145 CO 0.01 0.07 0.13 0.49 0.41 0.00 0.00 173.24 174.35 3m4u n PHE 146 N 2.66 0.00 0.00 2.43 3.72 -0.58 -4.99 117.46 120.70 3m4u n PHE 146 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3m4u n PHE 146 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 3m4u n PHE 146 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3m4u n ASP 152 N -0.05 0.00 -4.68 4.37 5.75 -1.26 -3.39 116.55 117.29 3m4u n ASP 152 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.43 3m4u n ASP 152 Cb 0.15 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.15 3m4u n ASP 152 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3m4u s ALA 153 N 0.00 3.57 0.23 2.12 0.00 -1.26 -4.95 121.76 121.48 3m4u s ALA 153 Ca 0.00 -0.74 -0.28 0.00 0.00 0.00 0.00 51.96 50.95 3m4u s ALA 153 Cb 0.00 -2.09 -0.09 0.00 0.00 0.00 0.00 23.12 20.94 3m4u s ALA 153 CO 0.00 0.12 0.89 0.42 0.00 0.00 0.00 175.76 177.19 3m4u s ILE 154 N 0.45 4.19 -0.03 0.00 1.01 -1.22 -4.60 121.20 121.00 3m4u s ILE 154 Ca 0.06 1.91 0.06 0.00 0.00 0.00 0.00 60.65 62.68 3m4u s ILE 154 Cb -0.12 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 3m4u s ILE 154 CO -0.01 0.44 -0.19 -0.75 0.00 0.00 0.00 174.94 174.43 3m4u s LYS 155 N -1.34 2.32 -0.09 2.79 2.20 -0.26 -1.53 119.74 123.83 3m4u s LYS 155 Ca 0.41 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 55.23 3m4u s LYS 155 Cb -0.24 -2.23 0.01 0.00 -1.51 0.00 0.00 37.83 33.87 3m4u s LYS 155 CO 0.29 0.59 -0.13 0.08 -0.36 0.00 0.00 175.35 175.82 3m4u s VAL 156 N -0.69 1.30 0.27 4.02 1.01 0.30 0.25 120.40 126.86 3m4u s VAL 156 Ca 0.11 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3m4u s VAL 156 Cb -0.10 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 3m4u s VAL 156 CO 0.00 0.40 0.02 0.42 0.00 0.00 0.00 175.10 175.94 3m4u s THR 157 N 0.90 1.14 1.08 3.92 -4.23 -0.54 -0.46 115.64 117.45 3m4u s THR 157 Ca -0.09 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.25 3m4u s THR 157 Cb -0.15 -2.53 0.23 0.00 1.34 0.00 0.00 72.50 71.39 3m4u s THR 157 CO 0.00 -0.19 1.07 -0.13 -0.54 0.00 0.00 174.62 174.83 3m4u s ARG 158 N -3.87 -0.25 -0.23 3.99 0.52 -1.24 -0.97 118.95 116.90 3m4u s ARG 158 Ca 0.32 0.54 -0.02 0.00 -0.52 0.00 0.00 55.73 56.05 3m4u s ARG 158 Cb 0.07 -1.66 0.02 0.00 0.52 0.00 0.00 34.95 33.90 3m4u s ARG 158 CO 0.12 -3.20 -0.07 0.34 0.02 0.00 0.00 175.30 172.51 3m4u s ASP 159 N -3.18 4.17 0.44 0.23 2.15 -1.19 -4.38 116.67 114.91 3m4u s ASP 159 Ca 0.67 -0.76 0.31 0.00 0.43 0.00 0.00 52.55 53.19 3m4u s ASP 159 Cb -0.20 -1.65 1.37 0.00 -0.30 0.00 0.00 42.92 42.13 3m4u s ASP 159 CO 0.60 -0.09 1.91 0.00 -0.17 0.00 0.00 175.17 177.42 3m4u h ALA 160 N 8.02 1.00 0.00 3.66 0.00 -1.96 0.66 119.26 130.64 3m4u h ALA 160 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3m4u h ALA 160 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3m4u h ALA 160 CO 0.59 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.93 3m4u n GLU 161 N -2.71 0.09 -3.64 0.00 2.13 -1.26 -4.82 120.64 110.43 3m4u n GLU 161 Ca 0.00 0.10 -0.05 0.00 0.66 0.00 0.00 57.16 57.87 3m4u n GLU 161 Cb 0.22 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.36 3m4u n GLU 161 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3m4u s ALA 162 N -2.88 -2.15 0.47 4.31 0.00 0.23 -5.17 121.76 116.56 3m4u s ALA 162 Ca 0.14 1.93 0.02 0.00 0.00 0.00 0.00 51.96 54.05 3m4u s ALA 162 Cb 0.15 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.66 3m4u s ALA 162 CO 0.40 -0.24 0.68 -1.54 0.00 0.00 0.00 175.76 175.05 3m4u s SER 163 N 0.54 5.64 0.79 0.00 1.04 -1.26 -3.89 113.70 116.56 3m4u s SER 163 Ca 0.00 0.09 -0.15 0.00 0.48 0.00 0.00 55.95 56.37 3m4u s SER 163 Cb -0.04 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 64.86 3m4u s SER 163 CO -0.11 -0.84 0.67 -1.22 0.98 0.00 0.00 173.24 172.72 3m4u n TYR 164 N -2.12 -0.41 -3.58 5.02 0.53 -1.26 -4.51 117.16 110.83 3m4u n TYR 164 Ca 0.04 0.34 -0.13 0.00 -1.02 0.00 0.00 57.90 57.12 3m4u n TYR 164 Cb 0.58 -1.94 -0.12 0.00 -1.03 0.00 0.00 39.34 36.84 3m4u n TYR 164 CO 0.00 0.00 0.00 -2.00 -1.02 0.00 0.00 176.86 173.84 3m4u s GLU 165 N -3.25 0.20 -0.18 -0.72 2.12 0.16 -4.97 118.70 112.06 3m4u s GLU 165 Ca 0.66 0.63 -0.16 0.00 0.36 0.00 0.00 54.97 56.46 3m4u s GLU 165 Cb -0.31 -0.32 -0.04 0.00 0.26 0.00 0.00 34.13 33.72 3m4u s GLU 165 CO 0.58 -0.41 0.38 0.08 -0.54 0.00 0.00 175.26 175.35 3m4u s VAL 166 N 2.44 5.23 -0.68 3.70 1.01 -1.26 -0.62 120.40 130.21 3m4u s VAL 166 Ca 0.04 0.70 -0.06 0.00 0.00 0.00 0.00 61.98 62.65 3m4u s VAL 166 Cb -0.13 -3.72 0.18 0.00 0.00 0.00 0.00 36.38 32.71 3m4u s VAL 166 CO -0.11 0.30 0.53 -0.62 0.00 0.00 0.00 175.10 175.20 3m4u s ASP 167 N 0.85 5.71 0.43 3.32 -1.08 0.42 -4.93 116.67 121.39 3m4u s ASP 167 Ca 0.19 -2.76 0.16 0.00 -0.52 0.00 0.00 52.55 49.62 3m4u s ASP 167 Cb -0.14 -1.97 0.95 0.00 -1.46 0.00 0.00 42.92 40.30 3m4u s ASP 167 CO 0.07 -0.44 1.93 0.00 0.52 0.00 0.00 175.17 177.25 3m4u h ALA 168 N 7.32 1.49 0.00 3.66 0.00 -1.96 -0.51 119.26 129.26 3m4u h ALA 168 Ca 0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3m4u h ALA 168 Cb 0.98 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3m4u h ALA 168 CO 0.73 0.32 -0.35 0.93 0.00 0.00 0.00 179.25 180.88 3m4u h GLU 169 N 0.00 0.00 -0.01 0.00 4.39 -1.95 -3.27 114.58 113.74 3m4u h GLU 169 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3m4u h GLU 169 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3m4u h GLU 169 CO 0.03 0.35 -0.18 1.28 -1.16 0.00 0.00 179.01 179.33 3m4u n LEU 170 N -3.61 1.51 -2.96 1.33 4.77 -0.47 -4.99 117.00 112.58 3m4u n LEU 170 Ca -0.01 -0.83 -0.21 0.00 -0.03 0.00 0.00 56.01 54.94 3m4u n LEU 170 Cb 0.47 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.60 3m4u n LEU 170 CO 0.36 0.29 0.08 0.47 -1.33 0.00 0.00 177.39 177.27 3m4u n ASP 171 N 0.02 -5.84 -4.17 -1.43 8.00 -0.32 -4.76 116.55 108.04 3m4u n ASP 171 Ca 0.05 -0.34 -0.29 0.00 0.71 0.00 0.00 54.79 54.92 3m4u n ASP 171 Cb 0.26 -4.59 -0.17 0.00 -0.02 0.00 0.00 41.12 36.61 3m4u n ASP 171 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3m4u s ILE 172 N -3.19 1.77 -0.11 0.53 1.01 -1.13 -1.54 121.20 118.54 3m4u s ILE 172 Ca 0.37 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 60.19 3m4u s ILE 172 Cb -0.16 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 3m4u s ILE 172 CO 0.46 0.50 -0.23 -0.69 0.00 0.00 0.00 174.94 174.98 3m4u s VAL 173 N 0.27 2.18 -0.22 2.92 1.01 -0.30 -0.43 120.40 125.83 3m4u s VAL 173 Ca -0.13 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 3m4u s VAL 173 Cb -0.16 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3m4u s VAL 173 CO 0.06 0.55 0.10 -0.13 0.00 0.00 0.00 175.10 175.68 3m4u s ARG 174 N 0.37 3.94 -0.36 2.72 0.52 0.21 -0.71 118.95 125.64 3m4u s ARG 174 Ca -0.17 -0.35 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 3m4u s ARG 174 Cb -0.18 -3.35 0.11 0.00 0.52 0.00 0.00 34.95 32.06 3m4u s ARG 174 CO 0.08 0.11 0.12 1.03 0.02 0.00 0.00 175.30 176.65 3m4u s ARG 175 N 0.86 1.18 -0.03 3.54 0.52 0.77 -0.67 118.95 125.13 3m4u s ARG 175 Ca 0.05 -1.64 -0.30 0.00 -0.52 0.00 0.00 55.73 53.32 3m4u s ARG 175 Cb -0.13 -2.60 -0.05 0.00 0.52 0.00 0.00 34.95 32.69 3m4u s ARG 175 CO 0.03 -1.01 1.47 -2.14 0.02 0.00 0.00 175.30 173.67 3m4u s PRO 176 N 1.00 4.24 0.20 3.54 0.02 -1.26 -1.42 135.00 141.32 3m4u s PRO 176 Ca 0.12 2.02 0.07 0.00 0.02 0.00 0.00 61.00 63.23 3m4u s PRO 176 Cb -0.20 -3.71 -0.05 0.00 0.02 0.00 0.00 34.50 30.56 3m4u s PRO 176 CO -0.13 -0.68 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.23 3m4u s LEU 177 N 3.01 2.53 -0.07 -5.54 1.43 -0.15 -3.15 118.68 116.74 3m4u s LEU 177 Ca 0.66 -1.04 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3m4u s LEU 177 Cb -0.31 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.33 3m4u s LEU 177 CO 0.26 -0.23 -0.17 -0.69 0.23 0.00 0.00 176.35 175.75 3m4u s VAL 178 N -3.07 1.48 -0.16 -1.59 1.01 -0.15 -1.56 120.40 116.37 3m4u s VAL 178 Ca 0.22 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 3m4u s VAL 178 Cb 0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 3m4u s VAL 178 CO 0.06 0.43 -0.07 -0.63 0.00 0.00 0.00 175.10 174.89 3m4u s ILE 179 N 0.47 3.54 -0.44 2.22 1.01 -0.36 -1.46 121.20 126.18 3m4u s ILE 179 Ca -0.15 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 3m4u s ILE 179 Cb -0.16 -2.54 0.12 0.00 0.01 0.00 0.00 42.46 39.89 3m4u s ILE 179 CO 0.05 0.49 0.22 -1.00 0.00 0.00 0.00 174.94 174.70 3m4u s HIS 180 N 0.55 3.56 0.09 3.97 3.76 0.14 -1.94 115.29 125.41 3m4u s HIS 180 Ca -0.05 -2.70 -0.26 0.00 -0.15 0.00 0.00 55.06 51.91 3m4u s HIS 180 Cb -0.15 -3.11 -0.06 0.00 1.11 0.00 0.00 32.58 30.37 3m4u s HIS 180 CO 0.03 -0.92 0.79 0.08 -0.85 0.00 0.00 174.74 173.87 3m4u s VAL 181 N 0.70 4.59 0.06 -0.90 1.01 -1.26 -1.10 120.40 123.50 3m4u s VAL 181 Ca 0.11 1.70 -0.33 0.00 0.00 0.00 0.00 61.98 63.47 3m4u s VAL 181 Cb -0.22 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 31.90 3m4u s VAL 181 CO -0.05 0.41 1.79 -2.65 0.00 0.00 0.00 175.10 174.61 3m4u n PRO 182 N 2.41 2.44 -0.62 2.72 -0.02 -1.26 -1.73 135.00 138.94 3m4u n PRO 182 Ca -0.03 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3m4u n PRO 182 Cb 0.50 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3m4u n PRO 182 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m4u n GLY 183 N 4.09 0.76 3.27 -1.23 0.00 -1.26 -5.03 105.19 105.79 3m4u n GLY 183 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 3m4u n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m4u s LYS 184 N -0.38 1.09 0.38 1.61 -0.14 -0.70 -5.13 119.74 116.48 3m4u s LYS 184 Ca 0.00 -1.20 -0.28 0.00 -1.36 0.00 0.00 55.97 53.14 3m4u s LYS 184 Cb 0.00 -1.21 -0.11 0.00 -1.68 0.00 0.00 37.83 34.83 3m4u s LYS 184 CO 0.00 0.27 1.45 -2.30 -0.76 0.00 0.00 175.35 174.00 3m4u n PRO 185 N 0.85 2.53 -1.28 -1.68 -0.02 -1.26 -4.54 135.00 129.60 3m4u n PRO 185 Ca -0.18 0.89 -0.35 0.00 -2.02 0.00 0.00 63.50 61.84 3m4u n PRO 185 Cb 0.55 -2.61 0.09 0.00 -0.02 0.00 0.00 33.50 31.51 3m4u n PRO 185 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m4u n MET 186 N 0.36 0.40 -3.78 -0.52 0.00 -1.26 -4.77 117.12 107.55 3m4u n MET 186 Ca 0.02 0.20 -0.20 0.00 0.00 0.00 0.00 57.70 57.72 3m4u n MET 186 Cb 0.39 -2.22 -0.17 0.00 0.00 0.00 0.00 33.22 31.22 3m4u n MET 186 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3m4u s HIS 187 N -1.90 0.37 0.11 3.17 5.04 -0.82 -4.97 115.29 116.29 3m4u s HIS 187 Ca 0.72 0.02 -0.29 0.00 -1.54 0.00 0.00 55.06 53.97 3m4u s HIS 187 Cb -0.33 -0.59 -0.06 0.00 0.04 0.00 0.00 32.58 31.64 3m4u s HIS 187 CO 0.52 -0.23 0.90 1.03 -2.34 0.00 0.00 174.74 174.62 3m4u s ARG 188 N 1.77 4.66 -0.04 2.88 0.52 -1.26 -1.22 118.95 126.25 3m4u s ARG 188 Ca 0.01 1.35 -0.04 0.00 -0.52 0.00 0.00 55.73 56.53 3m4u s ARG 188 Cb -0.13 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 32.00 3m4u s ARG 188 CO -0.03 0.28 0.11 0.54 0.02 0.00 0.00 175.30 176.22 3m4u s VAL 189 N -0.19 -0.00 -0.19 3.52 0.11 -0.60 -4.72 120.40 118.32 3m4u s VAL 189 Ca 0.44 0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 59.38 3m4u s VAL 189 Cb -0.23 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 3m4u s VAL 189 CO 0.28 0.01 0.21 -0.22 -3.33 0.00 0.00 175.10 172.05 3m4u s LEU 190 N 0.16 4.21 -0.11 2.54 2.96 -0.18 -0.97 118.68 127.29 3m4u s LEU 190 Ca -0.01 0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.23 3m4u s LEU 190 Cb -0.02 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 3m4u s LEU 190 CO -0.00 0.12 -0.02 0.00 -1.32 0.00 0.00 176.35 175.12 3m4u s GLN 191 N 0.53 3.18 -0.22 1.98 -2.07 -0.51 -0.74 119.66 121.82 3m4u s GLN 191 Ca 0.12 -0.47 -0.02 0.00 -1.82 0.00 0.00 55.36 53.17 3m4u s GLN 191 Cb -0.12 -2.80 0.01 0.00 -1.09 0.00 0.00 33.01 29.01 3m4u s GLN 191 CO 0.02 0.53 -0.09 0.08 -1.32 0.00 0.00 175.29 174.51 3m4u s VAL 192 N -0.43 2.87 -0.22 3.63 1.01 0.50 -0.16 120.40 127.60 3m4u s VAL 192 Ca 0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 3m4u s VAL 192 Cb -0.12 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3m4u s VAL 192 CO 0.02 0.37 -0.04 -1.58 0.00 0.00 0.00 175.10 173.87 3m4u s GLN 193 N 1.38 3.40 -0.22 2.72 0.74 0.11 -0.42 119.66 127.37 3m4u s GLN 193 Ca 0.04 -0.62 -0.11 0.00 0.05 0.00 0.00 55.36 54.72 3m4u s GLN 193 Cb -0.15 -3.01 -0.05 0.00 1.10 0.00 0.00 33.01 30.91 3m4u s GLN 193 CO -0.06 -0.16 0.19 -0.47 -0.55 0.00 0.00 175.29 174.24 3m4u s TYR 194 N 1.39 3.36 -1.32 1.67 5.04 0.10 -1.15 117.35 126.44 3m4u s TYR 194 Ca 0.05 0.33 0.12 0.00 -2.44 0.00 0.00 57.07 55.13 3m4u s TYR 194 Cb -0.14 -2.27 0.23 0.00 0.35 0.00 0.00 41.96 40.12 3m4u s TYR 194 CO -0.02 0.13 1.10 1.33 -1.34 0.00 0.00 175.55 176.75 3m4u n VAL 195 N 4.02 0.51 -1.28 3.14 0.24 -0.59 -3.55 118.33 120.82 3m4u n VAL 195 Ca -0.14 -0.75 -0.17 0.00 -2.04 0.00 0.00 64.34 61.23 3m4u n VAL 195 Cb 0.52 0.88 0.19 0.00 -1.47 0.00 0.00 33.84 33.96 3m4u n VAL 195 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3m4u n GLY 196 N 0.69 4.56 2.83 7.63 0.00 -1.26 -4.76 105.19 114.88 3m4u n GLY 196 Ca 0.10 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 3m4u n GLY 196 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3m4u s TRP 197 N -3.27 2.52 0.42 1.61 -0.11 -1.26 -0.36 118.94 118.49 3m4u s TRP 197 Ca 0.53 -2.41 -0.26 0.00 1.22 0.00 0.00 56.10 55.18 3m4u s TRP 197 Cb 0.46 -2.22 -0.09 0.00 -1.50 0.00 0.00 33.47 30.12 3m4u s TRP 197 CO 0.08 -0.86 1.36 -2.14 -4.62 0.00 0.00 176.95 170.77 3m4u s PRO 198 N 0.93 3.85 0.31 5.86 0.02 -1.26 -4.70 135.00 140.00 3m4u s PRO 198 Ca 0.13 2.29 -0.28 0.00 0.02 0.00 0.00 61.00 63.15 3m4u s PRO 198 Cb -0.20 -2.72 -0.13 0.00 0.02 0.00 0.00 34.50 31.46 3m4u s PRO 198 CO -0.12 -0.63 1.15 -3.47 -0.33 0.00 0.00 177.00 173.60 3m4u n ASP 199 N 0.00 2.00 0.00 2.53 -0.08 -1.26 -0.68 116.55 119.05 3m4u n ASP 199 Ca 0.04 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.51 3m4u n ASP 199 Cb 0.43 -1.38 0.00 0.00 2.34 0.00 0.00 41.12 42.51 3m4u n ASP 199 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3m4u n HIS 200 N 0.39 0.00 -2.33 -0.67 8.25 -1.26 -4.93 115.22 114.67 3m4u n HIS 200 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3m4u n HIS 200 Cb 0.33 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.43 3m4u n HIS 200 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m4u n GLY 201 N -1.68 4.98 3.38 -1.41 0.00 0.14 -4.86 105.19 105.74 3m4u n GLY 201 Ca 0.00 -1.98 -0.23 0.00 0.00 0.00 0.00 46.02 43.80 3m4u n GLY 201 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3m4u s VAL 202 N 1.67 2.07 0.26 1.61 -7.23 -1.26 -4.74 120.40 112.79 3m4u s VAL 202 Ca 0.00 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 57.84 3m4u s VAL 202 Cb 0.00 -2.01 -0.15 0.00 0.56 0.00 0.00 36.38 34.79 3m4u s VAL 202 CO 0.00 -0.28 1.01 -2.65 -0.31 0.00 0.00 175.10 172.87 3m4u n PRO 203 N 0.12 1.23 0.00 4.82 -0.02 -1.26 -4.36 135.00 135.52 3m4u n PRO 203 Ca -0.12 0.43 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 3m4u n PRO 203 Cb 0.57 -1.80 0.37 0.00 -0.02 0.00 0.00 33.50 32.62 3m4u n PRO 203 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3m4u n GLU 204 N 0.97 0.05 -3.67 -0.52 1.02 0.51 -4.72 120.64 114.28 3m4u n GLU 204 Ca 0.11 0.20 -0.09 0.00 -0.02 0.00 0.00 57.16 57.36 3m4u n GLU 204 Cb 0.30 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 3m4u n GLU 204 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3m4u s SER 205 N -2.92 -0.39 0.36 1.62 0.15 -1.26 -5.01 113.70 106.25 3m4u s SER 205 Ca 0.10 1.00 0.07 0.00 0.70 0.00 0.00 55.95 57.81 3m4u s SER 205 Cb 0.11 1.19 0.70 0.00 -1.71 0.00 0.00 66.02 66.31 3m4u s SER 205 CO 0.30 -0.22 1.90 0.00 1.20 0.00 0.00 173.24 176.42 3m4u h ALA 206 N 7.78 1.45 -0.42 5.45 0.00 -2.00 -2.11 119.26 129.41 3m4u h ALA 206 Ca -0.23 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 3m4u h ALA 206 Cb 1.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3m4u h ALA 206 CO 0.18 0.39 -0.17 0.00 0.00 0.00 0.00 179.25 179.65 3m4u h ALA 207 N 1.58 0.91 0.09 0.00 0.00 -1.99 0.72 119.26 120.58 3m4u h ALA 207 Ca 0.08 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3m4u h ALA 207 Cb 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3m4u h ALA 207 CO 0.01 0.62 -0.04 0.77 0.00 0.00 0.00 179.25 180.61 3m4u h SER 208 N 0.71 -0.10 -0.50 0.00 0.02 -1.78 -0.86 113.55 111.04 3m4u h SER 208 Ca 0.11 -0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 3m4u h SER 208 Cb 0.67 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.17 3m4u h SER 208 CO 0.05 0.02 0.16 0.15 -1.14 0.00 0.00 176.83 176.07 3m4u h PHE 209 N -0.21 0.27 -0.78 3.45 3.57 -1.13 -1.61 116.94 120.50 3m4u h PHE 209 Ca -0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3m4u h PHE 209 Cb 0.18 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 3m4u h PHE 209 CO -0.04 0.07 0.49 -0.44 -2.23 0.00 0.00 178.31 176.15 3m4u h ASP 210 N 0.32 0.79 -0.65 0.41 3.32 -0.67 -1.31 116.42 118.63 3m4u h ASP 210 Ca 0.25 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3m4u h ASP 210 Cb 0.29 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3m4u h ASP 210 CO -0.27 0.53 0.35 -0.08 -1.72 0.00 0.00 179.24 178.04 3m4u h GLU 211 N 0.93 0.91 -0.57 3.56 4.57 -0.28 -1.05 114.58 122.65 3m4u h GLU 211 Ca 0.33 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3m4u h GLU 211 Cb 0.08 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 3m4u h GLU 211 CO -0.14 0.70 0.37 -0.07 -1.18 0.00 0.00 179.01 178.69 3m4u h LEU 212 N 0.89 0.67 -1.32 1.64 3.38 -0.72 -0.02 115.31 119.84 3m4u h LEU 212 Ca 0.23 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3m4u h LEU 212 Cb 0.06 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3m4u h LEU 212 CO -0.04 0.51 0.49 -0.07 0.09 0.00 0.00 178.44 179.42 3m4u h LEU 213 N 0.78 0.76 -0.12 1.67 3.38 -0.82 -1.17 115.31 119.78 3m4u h LEU 213 Ca 0.21 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3m4u h LEU 213 Cb -0.06 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3m4u h LEU 213 CO -0.04 0.52 -0.14 0.28 0.09 0.00 0.00 178.44 179.15 3m4u h SER 214 N 0.88 0.33 -0.98 -0.43 0.02 -0.52 -1.00 113.55 111.85 3m4u h SER 214 Ca 0.30 -0.49 0.18 0.00 -0.84 0.00 0.00 61.79 60.94 3m4u h SER 214 Cb 0.08 -0.09 -0.10 0.00 0.14 0.00 0.00 62.40 62.43 3m4u h SER 214 CO -0.09 0.76 0.61 0.58 -1.14 0.00 0.00 176.83 177.55 3m4u h VAL 215 N -0.09 0.73 -0.06 2.27 2.07 -0.70 0.17 116.25 120.64 3m4u h VAL 215 Ca 0.02 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 3m4u h VAL 215 Cb 0.67 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3m4u h VAL 215 CO 0.03 0.13 -0.58 0.40 0.02 0.00 0.00 177.57 177.57 3m4u h ILE 216 N 0.72 1.38 -0.59 4.57 2.04 -1.12 -2.71 117.51 121.81 3m4u h ILE 216 Ca 0.55 -1.95 -0.07 0.00 1.00 0.00 0.00 64.86 64.39 3m4u h ILE 216 Cb 0.90 2.35 -0.03 0.00 -0.74 0.00 0.00 36.82 39.31 3m4u h ILE 216 CO -0.32 0.58 0.09 0.50 0.00 0.00 0.00 178.15 179.00 3m4u h LYS 217 N 0.07 0.94 -0.01 2.37 3.64 -0.05 -2.96 116.57 120.57 3m4u h LYS 217 Ca -0.06 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3m4u h LYS 217 Cb 1.25 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3m4u h LYS 217 CO 0.12 0.87 -0.25 0.09 -2.27 0.00 0.00 179.45 178.01 3m4u n ASN 218 N -4.23 1.17 -4.73 4.20 3.02 0.48 -4.88 115.26 110.29 3m4u n ASN 218 Ca 0.04 -1.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.17 3m4u n ASN 218 Cb 0.27 0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 3m4u n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m4u s VAL 220 N 0.86 4.44 -0.07 0.00 0.11 -1.26 -5.05 120.40 119.44 3m4u s VAL 220 Ca 0.68 -0.47 -0.31 0.00 -2.93 0.00 0.00 61.98 58.96 3m4u s VAL 220 Cb -0.45 -3.26 0.07 0.00 -1.53 0.00 0.00 36.38 31.21 3m4u s VAL 220 CO 0.35 0.08 0.70 0.28 -3.33 0.00 0.00 175.10 173.18 3m4u s THR 221 N 1.59 0.00 -1.69 5.04 -1.32 -1.26 -5.03 115.64 112.97 3m4u s THR 221 Ca 0.04 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.71 3m4u s THR 221 Cb -0.17 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.81 3m4u s THR 221 CO 0.05 0.00 0.95 0.35 -2.21 0.00 0.00 174.62 173.76 3m4u n THR 222 N 1.03 0.00 -4.13 5.08 -2.24 -1.26 -5.00 114.28 107.76 3m4u n THR 222 Ca -0.18 -0.30 -0.23 0.00 -2.27 0.00 0.00 64.05 61.07 3m4u n THR 222 Cb 0.57 1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.96 3m4u n THR 222 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3m4u s SER 223 N -2.16 5.38 0.38 3.42 0.01 -1.26 -5.08 113.70 114.39 3m4u s SER 223 Ca 0.15 -0.28 -0.25 0.00 1.31 0.00 0.00 55.95 56.88 3m4u s SER 223 Cb 0.15 -1.33 -0.12 0.00 0.21 0.00 0.00 66.02 64.93 3m4u s SER 223 CO 0.48 -0.01 1.00 -2.65 0.41 0.00 0.00 173.24 172.48 3m4u n PRO 224 N -0.93 1.35 -3.04 12.44 -0.02 -1.26 -4.77 135.00 138.77 3m4u n PRO 224 Ca -0.08 0.48 -0.40 0.00 -2.02 0.00 0.00 63.50 61.48 3m4u n PRO 224 Cb 0.57 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 32.04 3m4u n PRO 224 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3m4u s ILE 225 N -1.21 5.01 -0.22 4.25 1.01 0.59 -4.58 121.20 126.05 3m4u s ILE 225 Ca 0.61 1.41 -0.18 0.00 0.00 0.00 0.00 60.65 62.50 3m4u s ILE 225 Cb -0.60 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 3m4u s ILE 225 CO 0.58 0.17 0.49 -0.22 0.00 0.00 0.00 174.94 175.96 3m4u s LEU 226 N 1.34 4.12 -0.15 2.97 0.20 -0.57 -1.48 118.68 125.10 3m4u s LEU 226 Ca 0.35 0.58 0.01 0.00 0.69 0.00 0.00 54.13 55.77 3m4u s LEU 226 Cb -0.17 -2.64 0.01 0.00 -0.43 0.00 0.00 46.19 42.95 3m4u s LEU 226 CO 0.15 -0.19 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.14 3m4u s VAL 227 N 1.78 2.30 0.15 1.68 1.01 0.03 -0.29 120.40 127.07 3m4u s VAL 227 Ca 0.22 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.36 3m4u s VAL 227 Cb -0.15 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3m4u s VAL 227 CO 0.09 0.53 -0.12 -1.38 0.00 0.00 0.00 175.10 174.22 3m4u s HIS 228 N 0.87 1.39 0.00 5.22 -3.43 -0.49 -2.51 115.29 116.34 3m4u s HIS 228 Ca -0.05 -0.65 0.00 0.00 -0.80 0.00 0.00 55.06 53.56 3m4u s HIS 228 Cb -0.15 -0.70 0.00 0.00 -1.43 0.00 0.00 32.58 30.30 3m4u s HIS 228 CO -0.02 0.16 0.00 0.00 -2.00 0.00 0.00 174.74 172.87 3m4u h SER 230 N 0.00 -0.75 0.78 0.00 0.87 -1.89 -1.64 113.55 110.92 3m4u h SER 230 Ca 0.00 0.09 -0.25 0.00 -1.23 0.00 0.00 61.79 60.40 3m4u h SER 230 Cb 0.00 0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 3m4u h SER 230 CO 0.00 -0.22 -1.30 0.00 -0.53 0.00 0.00 176.83 174.78 3m4u h ALA 231 N -0.96 0.52 -1.44 6.23 0.00 -1.89 -1.92 119.26 119.79 3m4u h ALA 231 Ca 0.01 -1.14 -0.03 0.00 0.00 0.00 0.00 54.91 53.75 3m4u h ALA 231 Cb 0.30 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3m4u h ALA 231 CO -0.18 1.39 -0.05 0.41 0.00 0.00 0.00 179.25 180.81 3m4u n GLY 232 N 1.44 0.81 0.00 0.00 0.00 -1.17 -3.47 105.19 102.80 3m4u n GLY 232 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3m4u n GLY 232 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3m4u n ILE 233 N -2.58 0.00 -0.01 -0.61 -5.35 -1.26 -4.22 119.36 105.32 3m4u n ILE 233 Ca -0.00 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3m4u n ILE 233 Cb 0.51 -0.10 -0.00 0.00 -1.74 0.00 0.00 39.64 38.30 3m4u n ILE 233 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3m4u h GLY 234 N 0.00 -0.02 1.29 3.28 0.00 -1.92 0.76 103.07 106.45 3m4u h GLY 234 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 3m4u h GLY 234 CO 0.00 -0.01 -0.32 3.21 0.00 0.00 0.00 176.54 179.43 3m4u h ARG 235 N -0.43 0.80 -0.30 4.80 -0.00 -1.94 -1.72 114.38 115.59 3m4u h ARG 235 Ca -0.00 -0.37 0.04 0.00 -0.50 0.00 0.00 59.98 59.15 3m4u h ARG 235 Cb 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 29.97 29.93 3m4u h ARG 235 CO 0.00 1.00 0.05 1.15 0.00 0.00 0.00 179.97 182.18 3m4u h THR 236 N 0.67 0.84 -0.22 2.04 2.02 -1.87 -1.50 112.91 114.89 3m4u h THR 236 Ca 0.07 -0.05 -0.10 0.00 0.77 0.00 0.00 66.41 67.10 3m4u h THR 236 Cb 0.86 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3m4u h THR 236 CO 0.08 0.03 -0.30 1.23 0.37 0.00 0.00 175.52 176.92 3m4u h GLY 237 N 0.16 0.48 1.00 2.16 0.00 -1.34 -2.67 103.07 102.85 3m4u h GLY 237 Ca 0.14 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 3m4u h GLY 237 CO -0.19 0.38 0.03 -0.84 0.00 0.00 0.00 176.54 175.91 3m4u h THR 238 N 0.39 1.26 0.13 4.70 2.02 -0.59 0.13 112.91 120.94 3m4u h THR 238 Ca 0.05 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 3m4u h THR 238 Cb 0.73 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3m4u h THR 238 CO 0.06 0.36 -0.06 0.25 0.37 0.00 0.00 175.52 176.49 3m4u h LEU 239 N 0.72 -0.15 -0.51 2.58 5.85 -1.31 -0.93 115.31 121.56 3m4u h LEU 239 Ca 0.14 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3m4u h LEU 239 Cb 0.47 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3m4u h LEU 239 CO 0.02 0.22 0.31 0.40 -0.34 0.00 0.00 178.44 179.06 3m4u h ILE 240 N -0.55 1.15 -0.40 4.05 2.04 -1.46 -0.57 117.51 121.77 3m4u h ILE 240 Ca -0.02 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.58 3m4u h ILE 240 Cb 0.43 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 3m4u h ILE 240 CO 0.03 0.15 0.10 1.23 0.00 0.00 0.00 178.15 179.66 3m4u h GLY 241 N 0.68 0.49 1.00 5.37 0.00 -0.73 -1.28 103.07 108.60 3m4u h GLY 241 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3m4u h GLY 241 CO -0.04 -0.02 0.20 0.00 0.00 0.00 0.00 176.54 176.69 3m4u h ALA 242 N 1.29 0.39 -0.04 3.60 0.00 -0.39 -0.93 119.26 123.18 3m4u h ALA 242 Ca 0.19 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3m4u h ALA 242 Cb 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3m4u h ALA 242 CO -0.23 -0.15 -0.21 -0.92 0.00 0.00 0.00 179.25 177.74 3m4u h TYR 243 N 0.41 -0.55 -0.47 0.00 3.20 -0.80 -1.34 116.97 117.43 3m4u h TYR 243 Ca 0.11 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.09 3m4u h TYR 243 Cb -0.05 0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.39 3m4u h TYR 243 CO -0.06 -0.29 -0.03 0.00 -1.64 0.00 0.00 178.16 176.14 3m4u h ALA 244 N 0.61 0.40 -0.69 1.82 0.00 -0.93 -1.42 119.26 119.06 3m4u h ALA 244 Ca 0.07 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3m4u h ALA 244 Cb 0.41 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3m4u h ALA 244 CO -0.22 -0.41 0.36 0.00 0.00 0.00 0.00 179.25 178.98 3m4u h ALA 245 N 1.43 0.89 -0.78 0.00 0.00 -0.74 -1.44 119.26 118.62 3m4u h ALA 245 Ca 0.23 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3m4u h ALA 245 Cb 0.35 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3m4u h ALA 245 CO -0.41 0.43 0.49 -0.07 0.00 0.00 0.00 179.25 179.69 3m4u h LEU 246 N 0.96 0.80 -1.36 0.00 3.38 -0.68 -2.06 115.31 116.35 3m4u h LEU 246 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3m4u h LEU 246 Cb 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3m4u h LEU 246 CO -0.03 0.54 -0.24 0.25 0.09 0.00 0.00 178.44 179.05 3m4u h LEU 247 N 0.94 0.12 -1.11 1.67 5.85 -0.47 -0.73 115.31 121.59 3m4u h LEU 247 Ca 0.32 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 3m4u h LEU 247 Cb 0.05 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3m4u h LEU 247 CO -0.13 0.37 -0.17 0.45 -0.34 0.00 0.00 178.44 178.62 3m4u h HIS 248 N 0.12 0.46 -0.06 1.25 3.86 -0.59 -2.28 115.15 117.91 3m4u h HIS 248 Ca 0.02 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3m4u h HIS 248 Cb 0.49 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 3m4u h HIS 248 CO 0.00 0.58 -0.03 0.82 0.86 0.00 0.00 177.93 180.17 3m4u h ILE 249 N 0.39 1.32 0.00 2.45 2.04 -0.83 0.11 117.51 122.99 3m4u h ILE 249 Ca 0.07 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 64.96 3m4u h ILE 249 Cb 0.53 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 38.42 3m4u h ILE 249 CO 0.03 0.28 -0.37 -0.33 0.00 0.00 0.00 178.15 177.76 3m4u h GLU 250 N -0.24 -0.50 0.00 2.37 5.08 -1.17 0.97 114.58 121.08 3m4u h GLU 250 Ca 0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3m4u h GLU 250 Cb 0.45 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3m4u h GLU 250 CO 0.01 -0.34 0.00 0.54 -1.00 0.00 0.00 179.01 178.22 3m4u n ARG 251 N -5.43 0.39 -3.80 2.33 1.74 -0.87 -3.99 116.66 107.03 3m4u n ARG 251 Ca -0.05 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.75 3m4u n ARG 251 Cb 0.35 -1.28 0.04 0.00 -1.02 0.00 0.00 32.46 30.54 3m4u n ARG 251 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m4u n GLY 252 N -0.18 -0.48 0.13 -0.13 0.00 0.31 -4.69 105.19 100.15 3m4u n GLY 252 Ca 0.05 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.35 3m4u n GLY 252 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3m4u n ILE 253 N -4.69 1.75 -1.75 -0.61 -5.35 0.35 -4.60 119.36 104.47 3m4u n ILE 253 Ca -0.02 -2.00 -0.41 0.00 -0.27 0.00 0.00 62.75 60.05 3m4u n ILE 253 Cb 0.56 -0.10 0.01 0.00 -1.74 0.00 0.00 39.64 38.37 3m4u n ILE 253 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3m4u n LEU 254 N -1.17 4.57 -4.17 7.28 7.94 -1.17 -4.93 117.00 125.35 3m4u n LEU 254 Ca 0.14 1.17 -0.10 0.00 -1.11 0.00 0.00 56.01 56.10 3m4u n LEU 254 Cb 0.59 -1.57 -0.10 0.00 0.53 0.00 0.00 43.42 42.87 3m4u n LEU 254 CO 0.02 -0.19 -0.29 -0.89 -1.11 0.00 0.00 177.39 174.92 3m4u s THR 255 N -1.16 0.15 0.46 1.96 2.01 -1.26 -4.93 115.64 112.88 3m4u s THR 255 Ca 0.58 -1.93 0.17 0.00 0.31 0.00 0.00 61.69 60.82 3m4u s THR 255 Cb -0.49 -2.12 0.22 0.00 0.01 0.00 0.00 72.50 70.12 3m4u s THR 255 CO 0.60 -0.40 2.04 -0.78 -0.69 0.00 0.00 174.62 175.39 3m4u h ASP 256 N 2.81 0.00 -0.38 3.53 -0.00 -1.94 -3.11 116.42 117.33 3m4u h ASP 256 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.68 3m4u h ASP 256 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 3m4u h ASP 256 CO 0.59 0.14 0.00 -1.54 -0.00 0.00 0.00 179.24 178.43 3m4u n SER 257 N -4.24 3.28 -0.31 2.28 3.41 -1.26 -4.69 113.62 112.09 3m4u n SER 257 Ca -0.02 -1.94 0.06 0.00 -0.26 0.00 0.00 58.87 56.71 3m4u n SER 257 Cb 0.21 -0.24 0.22 0.00 -0.26 0.00 0.00 64.21 64.13 3m4u n SER 257 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3m4u h THR 258 N 3.87 0.83 -0.05 6.66 2.02 -1.93 -1.09 112.91 123.22 3m4u h THR 258 Ca 0.00 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 3m4u h THR 258 Cb 0.90 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3m4u h THR 258 CO 0.00 0.14 -0.24 0.58 0.37 0.00 0.00 175.52 176.37 3m4u h VAL 259 N 0.78 1.45 -0.22 3.16 2.07 -1.85 -1.09 116.25 120.55 3m4u h VAL 259 Ca 0.46 -1.68 0.06 0.00 0.82 0.00 0.00 66.70 66.36 3m4u h VAL 259 Cb 0.54 2.38 -0.07 0.00 -1.52 0.00 0.00 31.29 32.62 3m4u h VAL 259 CO -0.30 0.47 -0.24 0.22 0.02 0.00 0.00 177.57 177.74 3m4u h TYR 260 N -0.27 -0.63 -0.24 1.57 3.20 -1.84 -0.26 116.97 118.51 3m4u h TYR 260 Ca -0.01 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 3m4u h TYR 260 Cb 0.89 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 3m4u h TYR 260 CO 0.13 -0.32 -0.39 0.66 -1.64 0.00 0.00 178.16 176.60 3m4u h SER 261 N -0.25 0.58 -0.07 -2.11 4.64 -1.19 0.22 113.55 115.35 3m4u h SER 261 Ca 0.13 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3m4u h SER 261 Cb 0.45 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3m4u h SER 261 CO -0.37 0.91 0.04 0.40 -0.87 0.00 0.00 176.83 176.94 3m4u h ILE 262 N 0.45 1.07 -0.35 0.95 2.04 -0.86 -1.54 117.51 119.28 3m4u h ILE 262 Ca 0.04 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 3m4u h ILE 262 Cb 0.89 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3m4u h ILE 262 CO 0.08 0.06 -0.13 0.58 0.00 0.00 0.00 178.15 178.74 3m4u h VAL 263 N 0.04 1.24 -0.77 1.67 2.07 -0.51 -2.14 116.25 117.85 3m4u h VAL 263 Ca 0.03 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 3m4u h VAL 263 Cb 0.07 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3m4u h VAL 263 CO -0.00 0.37 0.35 0.00 0.02 0.00 0.00 177.57 178.30 3m4u h ALA 264 N 1.31 1.15 -0.55 1.67 0.00 -0.41 -1.37 119.26 121.07 3m4u h ALA 264 Ca 0.10 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3m4u h ALA 264 Cb 0.54 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3m4u h ALA 264 CO 0.03 0.63 -0.04 0.00 0.00 0.00 0.00 179.25 179.87 3m4u h ALA 265 N 1.27 0.90 -0.24 0.00 0.00 -0.85 -2.00 119.26 118.34 3m4u h ALA 265 Ca 0.26 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3m4u h ALA 265 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3m4u h ALA 265 CO -0.03 0.65 0.01 0.52 0.00 0.00 0.00 179.25 180.39 3m4u h MET 266 N 0.88 0.42 -0.33 0.00 2.86 -0.87 -2.16 114.93 115.73 3m4u h MET 266 Ca 0.15 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3m4u h MET 266 Cb 0.57 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 3m4u h MET 266 CO 0.03 0.59 0.13 0.87 1.06 0.00 0.00 176.91 179.59 3m4u h LYS 267 N 0.20 0.27 -0.75 1.72 1.57 -1.18 0.86 116.57 119.25 3m4u h LYS 267 Ca 0.07 -0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.00 3m4u h LYS 267 Cb 0.40 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 3m4u h LYS 267 CO 0.01 0.18 0.51 0.37 -0.57 0.00 0.00 179.45 179.95 3m4u h GLN 268 N 0.28 0.33 0.00 3.15 5.75 -1.24 -2.30 115.11 121.08 3m4u h GLN 268 Ca 0.15 -0.02 -0.18 0.00 -0.15 0.00 0.00 58.65 58.45 3m4u h GLN 268 Cb 0.11 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3m4u h GLN 268 CO -0.14 0.22 -1.24 0.87 -2.65 0.00 0.00 178.83 175.89 3m4u h LYS 269 N 0.34 0.00 -1.68 1.69 1.57 -0.36 -3.44 116.57 114.69 3m4u h LYS 269 Ca 0.37 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.00 3m4u h LYS 269 Cb 0.96 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.99 3m4u h LYS 269 CO -0.11 0.43 -0.50 0.50 -0.57 0.00 0.00 179.45 179.21 3m4u s ARG 270 N -2.86 0.41 -0.04 3.15 3.52 0.11 -4.68 118.95 118.56 3m4u s ARG 270 Ca -0.01 0.32 -0.39 0.00 -0.13 0.00 0.00 55.73 55.51 3m4u s ARG 270 Cb 0.08 -0.28 -0.18 0.00 -1.56 0.00 0.00 34.95 33.02 3m4u s ARG 270 CO 0.80 -0.90 1.34 0.34 -0.81 0.00 0.00 175.30 176.08 3m4u n PHE 271 N 5.36 1.36 0.00 5.12 7.35 -1.09 -2.19 117.46 133.37 3m4u n PHE 271 Ca -0.00 0.79 0.00 0.00 -0.76 0.00 0.00 57.45 57.48 3m4u n PHE 271 Cb 0.50 -2.27 0.00 0.00 0.35 0.00 0.00 39.48 38.06 3m4u n PHE 271 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3m4u n GLY 272 N 2.59 1.77 3.67 7.13 0.00 -1.26 -4.92 105.19 114.17 3m4u n GLY 272 Ca 0.21 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.61 3m4u n GLY 272 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3m4u n MET 273 N -1.98 0.32 -2.81 1.61 2.81 -0.93 -3.25 117.12 112.89 3m4u n MET 273 Ca 0.00 0.12 -0.08 0.00 -1.81 0.00 0.00 57.70 55.93 3m4u n MET 273 Cb 0.00 -1.67 0.04 0.00 -0.71 0.00 0.00 33.22 30.88 3m4u n MET 273 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3m4u n VAL 274 N 3.41 -7.64 -0.30 2.03 3.14 0.26 -4.62 118.33 114.62 3m4u n VAL 274 Ca 0.27 -0.76 0.33 0.00 -2.96 0.00 0.00 64.34 61.22 3m4u n VAL 274 Cb 0.03 -5.90 0.72 0.00 -1.06 0.00 0.00 33.84 27.63 3m4u n VAL 274 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 3m4u h GLN 275 N -0.43 0.04 -5.81 1.45 4.20 -1.74 -3.45 115.11 109.38 3m4u h GLN 275 Ca -0.31 -0.00 -0.50 0.00 0.06 0.00 0.00 58.65 57.90 3m4u h GLN 275 Cb 1.16 -0.01 -0.17 0.00 0.30 0.00 0.00 27.48 28.76 3m4u h GLN 275 CO 0.30 0.03 -0.77 1.03 -0.67 0.00 0.00 178.83 178.76 3m4u s ARG 276 N -5.01 1.29 0.18 1.46 1.81 -1.26 -5.04 118.95 112.38 3m4u s ARG 276 Ca -0.05 -1.47 -0.13 0.00 -1.72 0.00 0.00 55.73 52.36 3m4u s ARG 276 Cb 0.23 -1.27 0.14 0.00 -0.45 0.00 0.00 34.95 33.60 3m4u s ARG 276 CO 0.80 0.24 1.80 1.25 -0.68 0.00 0.00 175.30 178.71 3m4u h LEU 277 N 3.02 0.45 -1.57 2.53 5.85 -1.96 -1.44 115.31 122.19 3m4u h LEU 277 Ca -0.41 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.42 3m4u h LEU 277 Cb 1.21 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 3m4u h LEU 277 CO 0.55 0.31 0.42 -0.33 -0.34 0.00 0.00 178.44 179.05 3m4u h GLU 278 N 0.57 0.48 -0.23 1.25 3.07 -1.96 0.10 114.58 117.87 3m4u h GLU 278 Ca 0.23 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.90 3m4u h GLU 278 Cb 0.09 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 3m4u h GLU 278 CO -0.13 0.32 -0.50 1.96 -1.40 0.00 0.00 179.01 179.25 3m4u h GLN 279 N 0.49 0.64 -0.58 2.33 4.20 -1.59 -1.99 115.11 118.62 3m4u h GLN 279 Ca 0.29 -0.38 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 3m4u h GLN 279 Cb 0.49 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3m4u h GLN 279 CO -0.09 0.99 0.00 -0.92 -0.67 0.00 0.00 178.83 178.15 3m4u h TYR 280 N 0.50 1.10 -0.77 2.96 3.20 -0.34 -2.77 116.97 120.86 3m4u h TYR 280 Ca 0.02 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 3m4u h TYR 280 Cb 1.05 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 3m4u h TYR 280 CO 0.05 0.97 0.44 0.00 -1.64 0.00 0.00 178.16 177.98 3m4u h ALA 281 N 1.06 1.34 -0.40 1.82 0.00 -0.55 -2.56 119.26 119.97 3m4u h ALA 281 Ca 0.17 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3m4u h ALA 281 Cb 0.53 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 3m4u h ALA 281 CO 0.03 0.56 -0.02 0.28 0.00 0.00 0.00 179.25 180.09 3m4u h VAL 282 N 1.06 0.67 -0.72 0.00 2.07 -1.07 0.27 116.25 118.54 3m4u h VAL 282 Ca 0.27 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.81 3m4u h VAL 282 Cb -0.01 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 3m4u h VAL 282 CO -0.05 0.01 0.43 0.40 0.02 0.00 0.00 177.57 178.39 3m4u h ILE 283 N 0.08 1.04 -0.41 4.57 2.04 -1.44 0.17 117.51 123.55 3m4u h ILE 283 Ca 0.20 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3m4u h ILE 283 Cb 0.28 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3m4u h ILE 283 CO -0.35 0.15 0.14 1.88 0.00 0.00 0.00 178.15 179.97 3m4u h TYR 284 N 0.82 0.65 -0.88 1.37 0.05 -1.11 -2.19 116.97 115.68 3m4u h TYR 284 Ca 0.31 -0.06 0.02 0.00 0.05 0.00 0.00 58.73 59.04 3m4u h TYR 284 Cb 0.11 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 37.61 3m4u h TYR 284 CO -0.05 0.59 0.58 0.52 -1.05 0.00 0.00 178.16 178.75 3m4u h MET 285 N 0.52 1.13 -0.77 4.88 2.86 0.13 -0.16 114.93 123.53 3m4u h MET 285 Ca 0.13 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3m4u h MET 285 Cb 0.24 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3m4u h MET 285 CO -0.01 0.75 0.37 1.15 1.06 0.00 0.00 176.91 180.24 3m4u h THR 286 N 1.17 1.24 0.05 2.22 2.02 -0.42 0.25 112.91 119.45 3m4u h THR 286 Ca 0.33 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 3m4u h THR 286 Cb -0.09 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 3m4u h THR 286 CO -0.08 0.29 -0.02 0.58 0.37 0.00 0.00 175.52 176.65 3m4u h VAL 287 N 1.08 1.12 -0.98 3.16 2.07 -0.73 -2.81 116.25 119.16 3m4u h VAL 287 Ca 0.26 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3m4u h VAL 287 Cb 0.11 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3m4u h VAL 287 CO -0.03 0.14 0.63 -0.07 0.02 0.00 0.00 177.57 178.25 3m4u h LEU 288 N -0.32 1.15 -0.07 2.57 3.38 -0.81 -2.50 115.31 118.72 3m4u h LEU 288 Ca -0.01 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3m4u h LEU 288 Cb 0.29 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3m4u h LEU 288 CO 0.01 0.85 -0.03 1.23 0.09 0.00 0.00 178.44 180.59 3m4u h GLY 289 N 1.34 0.04 2.00 0.83 0.00 -0.94 -0.50 103.07 105.84 3m4u h GLY 289 Ca 0.36 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3m4u h GLY 289 CO -0.07 -0.04 0.00 0.54 0.00 0.00 0.00 176.54 176.97 3m4u n ARG 290 N -5.14 0.16 0.00 4.80 5.12 -1.05 -1.12 116.66 119.43 3m4u n ARG 290 Ca -0.05 0.53 0.12 0.00 -1.93 0.00 0.00 57.85 56.53 3m4u n ARG 290 Cb 0.07 -1.90 0.25 0.00 -1.16 0.00 0.00 32.46 29.73 3m4u n ARG 290 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3m4u n LEU 291 N -2.21 1.73 0.00 0.55 4.32 -0.61 -4.95 117.00 115.83 3m4u n LEU 291 Ca 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 56.01 55.42 3m4u n LEU 291 Cb 0.12 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 3m4u n LEU 291 CO 0.14 0.31 0.00 0.61 -1.22 0.00 0.00 177.39 177.23 3m4u n GLY 292 N 1.33 0.47 3.76 -0.72 0.00 -0.28 -4.69 105.19 105.07 3m4u n GLY 292 Ca 0.13 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 3m4u n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m4u s VAL 293 N -2.00 5.26 -0.06 1.61 1.01 -0.30 -5.01 120.40 120.91 3m4u s VAL 293 Ca 0.00 0.63 -0.34 0.00 0.00 0.00 0.00 61.98 62.27 3m4u s VAL 293 Cb 0.00 -3.66 -0.12 0.00 0.00 0.00 0.00 36.38 32.60 3m4u s VAL 293 CO 0.00 0.43 1.84 -0.67 0.00 0.00 0.00 175.10 176.70 3m4u n ASP 294 N 3.17 3.39 0.04 3.32 -0.08 -1.26 -4.29 116.55 120.84 3m4u n ASP 294 Ca -0.12 0.99 -0.12 0.00 -1.51 0.00 0.00 54.79 54.03 3m4u n ASP 294 Cb 0.52 -1.38 -0.14 0.00 2.34 0.00 0.00 41.12 42.47 3m4u n ASP 294 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3m4u h ILE 295 N 5.20 1.25 -0.88 5.18 2.04 -1.95 -3.47 117.51 124.88 3m4u h ILE 295 Ca -0.48 -2.96 -0.69 0.00 1.00 0.00 0.00 64.86 61.73 3m4u h ILE 295 Cb 1.27 2.71 0.05 0.00 -0.74 0.00 0.00 36.82 40.11 3m4u h ILE 295 CO 0.94 0.79 0.03 -1.54 0.00 0.00 0.00 178.15 178.38 3m4u n SER 296 N -3.34 -0.05 0.00 1.72 3.41 -1.26 -4.52 113.62 109.58 3m4u n SER 296 Ca -0.12 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 3m4u n SER 296 Cb 1.02 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 3m4u n SER 296 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m4u n GLY 297 N 1.33 0.45 0.00 5.00 0.00 -1.26 -5.08 105.19 105.63 3m4u n GLY 297 Ca 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3m4u n GLY 297 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36