#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bjh s SER 2 N 0.00 -0.44 0.10 0.00 0.15 -1.26 -1.53 113.70 110.72 2bjh s SER 2 Ca 0.00 1.07 0.05 0.00 0.70 0.00 0.00 55.95 57.77 2bjh s SER 2 Cb 0.00 1.35 -0.03 0.00 -1.71 0.00 0.00 66.02 65.63 2bjh s SER 2 CO 0.00 -0.22 -0.13 0.42 1.20 0.00 0.00 173.24 174.50 2bjh s THR 3 N 2.37 1.16 0.17 6.45 -4.23 -0.76 -4.97 115.64 115.83 2bjh s THR 3 Ca -0.04 -1.53 -0.07 0.00 -1.18 0.00 0.00 61.69 58.86 2bjh s THR 3 Cb -0.11 -1.31 -0.06 0.00 1.34 0.00 0.00 72.50 72.36 2bjh s THR 3 CO -0.14 -0.37 0.44 -1.58 -0.54 0.00 0.00 174.62 172.44 2bjh s GLN 4 N -2.32 3.70 0.01 3.99 0.74 -1.26 -0.29 119.66 124.23 2bjh s GLN 4 Ca 0.04 0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.52 2bjh s GLN 4 Cb -0.07 -2.79 0.00 0.00 1.10 0.00 0.00 33.01 31.26 2bjh s GLN 4 CO 0.02 0.42 0.00 0.41 -0.55 0.00 0.00 175.29 175.59 2bjh n GLY 5 N 0.08 -3.06 3.45 2.59 0.00 -0.01 -4.91 105.19 103.33 2bjh n GLY 5 Ca -0.02 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 2bjh n GLY 5 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bjh s ILE 6 N -1.84 0.69 0.56 -0.61 -4.36 -0.18 -4.78 121.20 110.68 2bjh s ILE 6 Ca 0.00 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.21 2bjh s ILE 6 Cb 0.00 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 41.15 2bjh s ILE 6 CO 0.00 0.00 1.09 -0.94 0.24 0.00 0.00 174.94 175.33 2bjh s SER 7 N -3.51 5.81 0.49 4.36 1.04 -1.26 -4.57 113.70 116.05 2bjh s SER 7 Ca 0.30 2.01 0.15 0.00 0.48 0.00 0.00 55.95 58.88 2bjh s SER 7 Cb 0.05 -2.56 1.14 0.00 0.10 0.00 0.00 66.02 64.75 2bjh s SER 7 CO 0.15 -1.15 2.09 -0.08 0.98 0.00 0.00 173.24 175.22 2bjh h GLU 8 N 0.96 0.05 0.14 4.02 4.57 -1.99 -2.05 114.58 120.27 2bjh h GLU 8 Ca -0.49 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2bjh h GLU 8 Cb 1.24 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 2bjh h GLU 8 CO 0.57 0.09 -0.07 -0.44 -1.18 0.00 0.00 179.01 177.99 2bjh h ASP 9 N 0.05 -0.16 -0.99 1.04 3.32 -1.99 -2.39 116.42 115.29 2bjh h ASP 9 Ca 0.01 -0.36 0.17 0.00 0.02 0.00 0.00 57.03 56.87 2bjh h ASP 9 Cb 0.11 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 39.61 2bjh h ASP 9 CO 0.01 0.43 0.62 0.25 -1.72 0.00 0.00 179.24 178.82 2bjh h LEU 10 N -0.91 0.77 0.10 1.55 5.85 -1.92 0.60 115.31 121.35 2bjh h LEU 10 Ca -0.02 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2bjh h LEU 10 Cb 0.51 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2bjh h LEU 10 CO 0.03 0.32 -0.05 0.22 -0.34 0.00 0.00 178.44 178.62 2bjh h TYR 11 N 0.78 -0.12 -0.51 1.25 3.20 -1.41 -0.13 116.97 120.02 2bjh h TYR 11 Ca 0.54 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.45 2bjh h TYR 11 Cb 0.83 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 2bjh h TYR 11 CO -0.00 0.00 0.26 -0.91 -1.64 0.00 0.00 178.16 175.87 2bjh h ASN 12 N -0.22 0.37 -0.90 -2.11 4.21 -0.52 0.23 115.58 116.65 2bjh h ASN 12 Ca -0.01 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 2bjh h ASN 12 Cb 0.18 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.29 2bjh h ASN 12 CO 0.02 0.26 0.50 -0.09 -1.29 0.00 0.00 177.43 176.83 2bjh h ARG 13 N 0.50 1.25 -0.37 0.81 2.43 -0.78 0.30 114.38 118.52 2bjh h ARG 13 Ca 0.22 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 2bjh h ARG 13 Cb 0.13 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2bjh h ARG 13 CO -0.16 0.91 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.05 2bjh h LEU 14 N 1.26 0.62 -0.63 3.80 3.38 0.07 -1.89 115.31 121.92 2bjh h LEU 14 Ca 0.32 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 2bjh h LEU 14 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2bjh h LEU 14 CO -0.05 0.76 -0.22 0.58 0.09 0.00 0.00 178.44 179.60 2bjh h VAL 15 N 0.59 1.27 -0.03 1.22 2.07 0.34 -2.03 116.25 119.68 2bjh h VAL 15 Ca 0.11 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 2bjh h VAL 15 Cb 0.52 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2bjh h VAL 15 CO 0.03 0.46 0.01 -0.08 0.02 0.00 0.00 177.57 178.01 2bjh h GLU 16 N 0.73 0.05 -0.14 1.57 4.81 -0.56 -1.24 114.58 119.80 2bjh h GLU 16 Ca 0.10 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2bjh h GLU 16 Cb 0.75 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2bjh h GLU 16 CO 0.06 0.26 -0.13 0.52 -0.73 0.00 0.00 179.01 178.99 2bjh h MET 17 N -0.17 0.22 -0.53 1.92 2.86 -1.36 -0.99 114.93 116.88 2bjh h MET 17 Ca 0.01 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 2bjh h MET 17 Cb 0.23 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2bjh h MET 17 CO 0.00 0.36 -0.07 0.00 1.06 0.00 0.00 176.91 178.25 2bjh h ALA 18 N 1.67 0.87 0.29 6.32 0.00 -1.17 -1.98 119.26 125.26 2bjh h ALA 18 Ca 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2bjh h ALA 18 Cb 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2bjh h ALA 18 CO 0.02 0.65 -0.14 1.15 0.00 0.00 0.00 179.25 180.93 2bjh h THR 19 N 0.86 0.74 0.04 0.00 2.02 0.02 -1.41 112.91 115.17 2bjh h THR 19 Ca 0.14 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.20 2bjh h THR 19 Cb 0.61 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 2bjh h THR 19 CO 0.04 0.03 -0.29 0.40 0.37 0.00 0.00 175.52 176.07 2bjh h ILE 20 N -0.47 0.36 -0.54 3.11 2.04 -1.22 0.69 117.51 121.48 2bjh h ILE 20 Ca -0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.92 2bjh h ILE 20 Cb 0.35 0.36 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 2bjh h ILE 20 CO 0.07 0.00 0.10 0.28 0.00 0.00 0.00 178.15 178.59 2bjh h SER 21 N -0.47 -0.03 0.62 1.72 0.02 -1.29 0.36 113.55 114.48 2bjh h SER 21 Ca 0.05 0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 2bjh h SER 21 Cb 0.53 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 2bjh h SER 21 CO -0.22 0.01 -0.50 1.56 -1.14 0.00 0.00 176.83 176.53 2bjh h GLN 22 N 0.23 0.00 0.00 3.45 1.08 -0.95 -2.71 115.11 116.21 2bjh h GLN 22 Ca 0.28 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.36 2bjh h GLN 22 Cb 0.40 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2bjh h GLN 22 CO -0.37 0.50 -0.56 0.00 -0.95 0.00 0.00 178.83 177.46 2bjh h ALA 23 N 1.50 0.93 0.00 3.87 0.00 0.12 -3.05 119.26 122.63 2bjh h ALA 23 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2bjh h ALA 23 Cb 0.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2bjh h ALA 23 CO 0.07 0.70 0.07 0.00 0.00 0.00 0.00 179.25 180.08 2bjh n ALA 24 N -2.37 0.94 0.13 0.00 0.00 0.02 -0.34 120.51 118.89 2bjh n ALA 24 Ca -0.01 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 2bjh n ALA 24 Cb 0.60 -1.17 0.12 0.00 0.00 0.00 0.00 19.45 19.00 2bjh n ALA 24 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2bjh h TYR 25 N 0.00 0.00 -1.03 0.00 -1.99 -1.67 -3.35 116.97 108.93 2bjh h TYR 25 Ca 0.00 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.28 2bjh h TYR 25 Cb 0.14 0.00 -0.41 0.00 2.00 0.00 0.00 36.73 38.45 2bjh h TYR 25 CO 0.00 0.66 -0.97 0.00 -0.00 0.00 0.00 178.16 177.85 2bjh n ALA 26 N -2.36 4.07 -2.42 3.88 0.00 -0.63 -4.96 120.51 118.09 2bjh n ALA 26 Ca -0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 53.44 49.84 2bjh n ALA 26 Cb 0.69 -0.70 0.01 0.00 0.00 0.00 0.00 19.45 19.45 2bjh n ALA 26 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bjh n ASP 27 N -0.39 -2.31 -3.80 0.00 8.00 -1.19 -4.36 116.55 112.49 2bjh n ASP 27 Ca 0.24 -0.10 -0.28 0.00 0.71 0.00 0.00 54.79 55.36 2bjh n ASP 27 Cb 0.79 -1.28 0.01 0.00 -0.02 0.00 0.00 41.12 40.62 2bjh n ASP 27 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bjh n LEU 28 N -1.42 -1.94 0.00 0.64 4.77 0.54 -4.93 117.00 114.66 2bjh n LEU 28 Ca -0.03 -0.98 -0.06 0.00 -0.03 0.00 0.00 56.01 54.92 2bjh n LEU 28 Cb 0.52 -1.79 0.06 0.00 -2.33 0.00 0.00 43.42 39.87 2bjh n LEU 28 CO 0.11 0.37 0.06 0.00 -1.33 0.00 0.00 177.39 176.60 2bjh n ASN 30 N -1.14 -1.61 -4.97 0.00 0.23 -1.26 -4.86 115.26 101.65 2bjh n ASN 30 Ca 0.03 -1.25 -0.22 0.00 -0.53 0.00 0.00 54.58 52.61 2bjh n ASN 30 Cb 0.11 -0.67 0.01 0.00 -2.08 0.00 0.00 39.78 37.16 2bjh n ASN 30 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 2bjh s ILE 31 N 1.24 3.94 -0.27 1.53 -4.36 -1.26 -4.97 121.20 117.06 2bjh s ILE 31 Ca 0.40 -0.66 -0.35 0.00 -0.26 0.00 0.00 60.65 59.78 2bjh s ILE 31 Cb -0.22 -3.43 -0.11 0.00 1.25 0.00 0.00 42.46 39.95 2bjh s ILE 31 CO 0.16 -0.26 2.07 -0.81 0.24 0.00 0.00 174.94 176.34 2bjh n PRO 32 N -1.96 1.42 0.21 0.37 -0.04 -1.26 -4.77 135.00 128.97 2bjh n PRO 32 Ca 0.01 0.44 0.05 0.00 -0.04 0.00 0.00 63.50 63.97 2bjh n PRO 32 Cb 0.58 -2.54 0.26 0.00 -0.04 0.00 0.00 33.50 31.76 2bjh n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2bjh h SER 33 N 11.33 0.00 0.55 3.54 4.64 -1.99 -1.17 113.55 130.44 2bjh h SER 33 Ca -0.36 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 2bjh h SER 33 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2bjh h SER 33 CO 0.99 0.00 -0.08 0.71 -0.87 0.00 0.00 176.83 177.58 2bjh h THR 34 N 0.00 0.30 -3.19 2.95 1.35 -1.96 -3.41 112.91 108.95 2bjh h THR 34 Ca 0.00 -0.50 -0.60 0.00 -0.55 0.00 0.00 66.41 64.76 2bjh h THR 34 Cb 1.07 1.38 -0.10 0.00 -1.73 0.00 0.00 68.15 68.76 2bjh h THR 34 CO 0.00 0.08 -0.41 -0.51 -0.25 0.00 0.00 175.52 174.43 2bjh s ILE 35 N -3.98 5.36 -0.15 6.82 -1.16 -0.44 -4.15 121.20 123.50 2bjh s ILE 35 Ca -0.02 0.37 -0.16 0.00 -0.51 0.00 0.00 60.65 60.33 2bjh s ILE 35 Cb 0.12 -3.54 -0.04 0.00 0.61 0.00 0.00 42.46 39.61 2bjh s ILE 35 CO 0.55 0.45 0.39 -0.63 -2.81 0.00 0.00 174.94 172.89 2bjh s ILE 36 N 0.16 5.23 0.17 2.00 1.09 -0.34 -4.92 121.20 124.59 2bjh s ILE 36 Ca 0.13 0.75 -0.30 0.00 -1.10 0.00 0.00 60.65 60.13 2bjh s ILE 36 Cb -0.12 -3.73 -0.07 0.00 -1.06 0.00 0.00 42.46 37.47 2bjh s ILE 36 CO 0.02 0.33 1.15 -0.75 -0.10 0.00 0.00 174.94 175.59 2bjh s LYS 37 N 0.72 4.53 0.00 2.79 2.20 -1.26 -2.91 119.74 125.81 2bjh s LYS 37 Ca 0.21 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 2bjh s LYS 37 Cb -0.14 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 2bjh s LYS 37 CO 0.07 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 2bjh n GLY 38 N 2.25 2.72 3.77 5.54 0.00 -0.83 -5.02 105.19 113.63 2bjh n GLY 38 Ca 0.04 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 2bjh n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bjh s GLU 39 N 4.20 3.24 -0.20 1.61 2.56 -1.25 -4.78 118.70 124.08 2bjh s GLU 39 Ca 0.00 1.65 -0.07 0.00 0.00 0.00 0.00 54.97 56.55 2bjh s GLU 39 Cb 0.00 -1.98 -0.04 0.00 2.00 0.00 0.00 34.13 34.11 2bjh s GLU 39 CO 0.00 -0.95 0.06 0.21 -0.56 0.00 0.00 175.26 174.02 2bjh s LYS 40 N -3.34 3.89 0.06 4.30 2.20 -1.26 -1.71 119.74 123.88 2bjh s LYS 40 Ca 0.74 -0.38 -0.20 0.00 -0.36 0.00 0.00 55.97 55.76 2bjh s LYS 40 Cb -0.25 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 32.77 2bjh s LYS 40 CO 0.29 0.16 0.59 0.42 -0.36 0.00 0.00 175.35 176.46 2bjh s ILE 41 N 0.66 4.75 0.07 5.43 1.01 -0.05 -4.94 121.20 128.12 2bjh s ILE 41 Ca 0.03 1.27 -0.27 0.00 0.00 0.00 0.00 60.65 61.68 2bjh s ILE 41 Cb -0.13 -3.93 0.08 0.00 0.01 0.00 0.00 42.46 38.50 2bjh s ILE 41 CO 0.02 0.52 0.87 -0.47 0.00 0.00 0.00 174.94 175.87 2bjh s TYR 42 N -0.89 -0.30 -0.30 3.97 5.04 -1.25 -1.39 117.35 122.23 2bjh s TYR 42 Ca 0.30 0.10 -0.14 0.00 -2.44 0.00 0.00 57.07 54.89 2bjh s TYR 42 Cb -0.19 0.58 0.16 0.00 0.35 0.00 0.00 41.96 42.85 2bjh s TYR 42 CO 0.19 -0.69 0.96 1.21 -1.34 0.00 0.00 175.55 175.88 2bjh s ASN 43 N -2.66 -0.63 -0.02 4.32 3.84 -1.21 -4.91 114.94 113.66 2bjh s ASN 43 Ca 0.07 0.84 0.03 0.00 0.21 0.00 0.00 52.86 54.01 2bjh s ASN 43 Cb -0.01 1.71 0.12 0.00 -0.55 0.00 0.00 41.25 42.51 2bjh s ASN 43 CO -0.06 -0.12 0.86 0.00 -2.79 0.00 0.00 177.10 174.99 2bjh n ALA 44 N 5.04 2.62 -0.12 1.71 0.00 -1.26 -0.62 120.51 127.87 2bjh n ALA 44 Ca -0.09 -0.26 -0.19 0.00 0.00 0.00 0.00 53.44 52.90 2bjh n ALA 44 Cb 0.52 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.86 2bjh n ALA 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bjh n GLN 45 N -0.01 0.60 -0.02 0.00 1.13 -1.26 -4.57 117.38 113.24 2bjh n GLN 45 Ca 0.04 0.16 0.02 0.00 -1.94 0.00 0.00 57.00 55.29 2bjh n GLN 45 Cb 0.27 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.18 2bjh n GLN 45 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2bjh n THR 46 N -3.40 0.33 -4.13 5.09 -2.24 -1.23 -5.01 114.28 103.69 2bjh n THR 46 Ca -0.45 -0.66 -0.30 0.00 -2.27 0.00 0.00 64.05 60.36 2bjh n THR 46 Cb 0.94 0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 70.03 2bjh n THR 46 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2bjh n ASP 47 N 0.16 -1.04 -4.59 3.42 2.03 0.21 -4.46 116.55 112.28 2bjh n ASP 47 Ca 0.03 -1.07 -0.42 0.00 0.52 0.00 0.00 54.79 53.86 2bjh n ASP 47 Cb 0.19 -2.64 -0.06 0.00 -0.72 0.00 0.00 41.12 37.89 2bjh n ASP 47 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2bjh s ILE 48 N -3.81 4.81 -0.13 5.18 -1.09 -1.19 -4.85 121.20 120.12 2bjh s ILE 48 Ca 0.26 0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 59.56 2bjh s ILE 48 Cb -0.14 -4.13 -0.03 0.00 -1.58 0.00 0.00 42.46 36.58 2bjh s ILE 48 CO 0.93 -0.31 -0.06 0.20 -1.23 0.00 0.00 174.94 174.47 2bjh s ASN 49 N 1.74 4.67 0.31 3.58 0.01 -1.26 -3.35 114.94 120.63 2bjh s ASN 49 Ca 0.29 -0.12 -0.06 0.00 -0.71 0.00 0.00 52.86 52.27 2bjh s ASN 49 Cb -0.14 -1.60 0.02 0.00 0.41 0.00 0.00 41.25 39.94 2bjh s ASN 49 CO 0.14 0.22 0.51 0.61 -1.51 0.00 0.00 177.10 177.08 2bjh n GLY 50 N 3.16 1.82 3.41 0.66 0.00 -0.49 0.53 105.19 114.28 2bjh n GLY 50 Ca -0.18 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 2bjh n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bjh s TRP 51 N -3.27 -0.48 -0.16 1.61 0.51 0.02 -0.88 118.94 116.29 2bjh s TRP 51 Ca 0.20 0.79 -0.05 0.00 -2.12 0.00 0.00 56.10 54.92 2bjh s TRP 51 Cb -0.02 0.29 -0.03 0.00 -0.81 0.00 0.00 33.47 32.90 2bjh s TRP 51 CO 0.15 -0.53 -0.01 0.42 -0.51 0.00 0.00 176.95 176.46 2bjh s ILE 52 N -1.29 4.07 0.37 2.03 1.09 -0.70 -0.80 121.20 125.98 2bjh s ILE 52 Ca -0.12 -0.29 0.05 0.00 -1.10 0.00 0.00 60.65 59.19 2bjh s ILE 52 Cb -0.02 -2.80 -0.07 0.00 -1.06 0.00 0.00 42.46 38.51 2bjh s ILE 52 CO 0.07 0.48 0.04 -0.76 -0.10 0.00 0.00 174.94 174.67 2bjh s LEU 53 N 0.42 2.50 -0.15 2.97 1.43 0.25 -1.96 118.68 124.13 2bjh s LEU 53 Ca -0.02 -1.39 -0.08 0.00 -1.03 0.00 0.00 54.13 51.61 2bjh s LEU 53 Cb -0.14 -0.62 0.06 0.00 0.03 0.00 0.00 46.19 45.52 2bjh s LEU 53 CO 0.02 -0.55 0.36 -0.60 0.23 0.00 0.00 176.35 175.81 2bjh s ARG 54 N -3.80 0.32 -0.85 1.70 3.52 -1.15 -0.18 118.95 118.51 2bjh s ARG 54 Ca 0.34 0.74 -0.02 0.00 -0.13 0.00 0.00 55.73 56.66 2bjh s ARG 54 Cb 0.09 -0.02 0.21 0.00 -1.56 0.00 0.00 34.95 33.67 2bjh s ARG 54 CO 0.16 -0.17 0.73 0.34 -0.81 0.00 0.00 175.30 175.54 2bjh s ASP 55 N 1.52 5.90 0.47 -2.12 -1.08 0.19 -1.20 116.67 120.36 2bjh s ASP 55 Ca -0.08 -3.54 0.27 0.00 -0.52 0.00 0.00 52.55 48.67 2bjh s ASP 55 Cb -0.09 -1.91 1.45 0.00 -1.46 0.00 0.00 42.92 40.91 2bjh s ASP 55 CO -0.11 -0.23 1.79 0.44 0.52 0.00 0.00 175.17 177.58 2bjh h ASP 56 N 6.24 0.00 0.24 -0.34 3.32 -1.79 0.25 116.42 124.34 2bjh h ASP 56 Ca 0.13 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.84 2bjh h ASP 56 Cb 0.84 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.43 2bjh h ASP 56 CO 0.83 0.00 -1.51 0.74 -1.72 0.00 0.00 179.24 177.58 2bjh h THR 57 N 0.00 1.21 -0.32 0.35 2.02 -1.90 -3.32 112.91 110.95 2bjh h THR 57 Ca 0.00 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 64.54 2bjh h THR 57 Cb 0.28 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 2bjh h THR 57 CO 0.00 0.81 0.00 -0.24 0.37 0.00 0.00 175.52 176.46 2bjh n SER 58 N -3.72 3.27 -3.35 4.18 2.88 -0.37 -4.99 113.62 111.53 2bjh n SER 58 Ca -0.19 -1.97 -0.18 0.00 -1.33 0.00 0.00 58.87 55.19 2bjh n SER 58 Cb 1.08 -0.20 0.06 0.00 -0.75 0.00 0.00 64.21 64.40 2bjh n SER 58 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2bjh n LYS 59 N 1.39 -1.99 -3.48 -1.46 5.02 0.75 -4.95 118.16 113.44 2bjh n LYS 59 Ca 0.18 0.79 -0.15 0.00 -2.02 0.00 0.00 58.31 57.12 2bjh n LYS 59 Cb 0.59 -5.43 -0.04 0.00 -0.02 0.00 0.00 35.03 30.12 2bjh n LYS 59 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2bjh s GLU 60 N -4.72 1.10 -0.11 1.97 -1.05 -1.02 -2.33 118.70 112.54 2bjh s GLU 60 Ca 0.45 -0.05 -0.02 0.00 -0.15 0.00 0.00 54.97 55.20 2bjh s GLU 60 Cb -0.08 0.51 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 2bjh s GLU 60 CO 0.77 -0.41 -0.04 0.42 0.95 0.00 0.00 175.26 176.95 2bjh s ILE 61 N -2.26 3.94 -0.15 1.83 1.01 0.67 0.53 121.20 126.78 2bjh s ILE 61 Ca -0.05 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2bjh s ILE 61 Cb -0.00 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.81 2bjh s ILE 61 CO -0.00 0.56 -0.16 -0.63 0.00 0.00 0.00 174.94 174.71 2bjh s ILE 62 N -0.36 1.66 -0.26 2.92 1.01 0.74 0.08 121.20 127.00 2bjh s ILE 62 Ca 0.06 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.90 2bjh s ILE 62 Cb -0.12 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 2bjh s ILE 62 CO 0.02 0.47 0.20 -0.89 0.00 0.00 0.00 174.94 174.75 2bjh s THR 63 N 1.38 5.31 -0.12 2.92 2.01 0.21 0.84 115.64 128.20 2bjh s THR 63 Ca 0.03 0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.29 2bjh s THR 63 Cb -0.13 -3.54 0.01 0.00 0.01 0.00 0.00 72.50 68.85 2bjh s THR 63 CO -0.10 0.28 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.26 2bjh s VAL 64 N 1.45 1.64 0.04 3.82 1.01 0.02 -1.12 120.40 127.26 2bjh s VAL 64 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2bjh s VAL 64 Cb -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2bjh s VAL 64 CO 0.08 0.47 0.15 -0.36 0.00 0.00 0.00 175.10 175.44 2bjh s PHE 65 N 0.97 3.41 0.34 5.22 0.40 -1.02 -0.80 117.98 126.50 2bjh s PHE 65 Ca -0.06 0.22 -0.11 0.00 -0.60 0.00 0.00 56.93 56.38 2bjh s PHE 65 Cb -0.15 -1.74 -0.07 0.00 0.51 0.00 0.00 43.02 41.57 2bjh s PHE 65 CO -0.02 0.58 0.71 0.50 0.70 0.00 0.00 175.22 177.69 2bjh s ARG 66 N -2.24 3.85 0.00 0.44 3.52 0.19 -4.29 118.95 120.41 2bjh s ARG 66 Ca 0.30 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.37 2bjh s ARG 66 Cb -0.13 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 2bjh s ARG 66 CO 0.22 0.10 0.00 0.41 -0.81 0.00 0.00 175.30 175.23 2bjh n GLY 67 N -0.78 -0.39 3.63 8.12 0.00 -1.23 -3.62 105.19 110.92 2bjh n GLY 67 Ca 0.02 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 2bjh n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bjh s THR 68 N 0.00 3.88 -0.09 2.61 2.01 -1.26 -4.68 115.64 118.11 2bjh s THR 68 Ca 0.00 1.00 0.22 0.00 0.31 0.00 0.00 61.69 63.22 2bjh s THR 68 Cb 0.00 -3.86 0.41 0.00 0.01 0.00 0.00 72.50 69.06 2bjh s THR 68 CO 0.00 -0.32 1.15 0.61 -0.69 0.00 0.00 174.62 175.37 2bjh n GLY 69 N 4.42 1.22 3.58 4.40 0.00 -1.26 -5.04 105.19 112.52 2bjh n GLY 69 Ca 0.17 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 2bjh n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bjh s SER 70 N -2.38 -0.25 0.42 1.61 1.04 -1.26 -4.99 113.70 107.90 2bjh s SER 70 Ca 0.28 0.18 0.19 0.00 0.48 0.00 0.00 55.95 57.07 2bjh s SER 70 Cb 0.34 0.22 1.11 0.00 0.10 0.00 0.00 66.02 67.79 2bjh s SER 70 CO -0.11 -0.29 1.84 -2.24 0.98 0.00 0.00 173.24 173.41 2bjh h ASP 71 N 2.25 0.39 0.10 7.02 2.03 -1.99 0.22 116.42 126.44 2bjh h ASP 71 Ca -0.15 0.05 -0.01 0.00 -0.73 0.00 0.00 57.03 56.19 2bjh h ASP 71 Cb 1.18 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 2bjh h ASP 71 CO 0.27 0.14 -0.05 0.74 -1.03 0.00 0.00 179.24 179.32 2bjh h THR 72 N 0.38 1.01 -0.92 1.15 2.02 -1.94 -2.55 112.91 112.06 2bjh h THR 72 Ca 0.49 -0.43 0.12 0.00 0.77 0.00 0.00 66.41 67.35 2bjh h THR 72 Cb 1.25 1.29 -0.08 0.00 -1.74 0.00 0.00 68.15 68.87 2bjh h THR 72 CO -0.18 0.11 0.55 0.78 0.37 0.00 0.00 175.52 177.14 2bjh h ASN 73 N -0.34 0.77 -0.61 4.18 4.21 -1.22 0.42 115.58 122.98 2bjh h ASN 73 Ca -0.01 0.06 0.07 0.00 1.21 0.00 0.00 56.30 57.62 2bjh h ASN 73 Cb 0.28 -0.09 -0.04 0.00 -1.12 0.00 0.00 38.32 37.35 2bjh h ASN 73 CO 0.02 0.40 0.41 -0.07 -1.29 0.00 0.00 177.43 176.89 2bjh h LEU 74 N 0.85 0.50 -0.76 1.61 4.07 -0.93 0.67 115.31 121.31 2bjh h LEU 74 Ca 0.47 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.33 2bjh h LEU 74 Cb 0.51 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 2bjh h LEU 74 CO -0.29 0.32 -0.18 1.56 -1.08 0.00 0.00 178.44 178.78 2bjh h GLN 75 N 0.57 0.75 0.00 1.13 4.20 -0.52 -1.84 115.11 119.39 2bjh h GLN 75 Ca 0.27 -0.28 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 2bjh h GLN 75 Cb 0.33 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2bjh h GLN 75 CO -0.08 0.88 -0.68 -0.07 -0.67 0.00 0.00 178.83 178.21 2bjh h LEU 76 N 0.66 0.00 0.57 1.46 3.38 -0.75 -3.34 115.31 117.29 2bjh h LEU 76 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2bjh h LEU 76 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2bjh h LEU 76 CO 0.05 0.68 -0.32 0.44 0.09 0.00 0.00 178.44 179.38 2bjh h ASP 77 N 0.00 -0.78 0.00 -0.43 3.45 0.10 -3.21 116.42 115.55 2bjh h ASP 77 Ca -0.01 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.49 2bjh h ASP 77 Cb 1.35 0.22 0.00 0.00 -0.56 0.00 0.00 39.33 40.34 2bjh h ASP 77 CO 0.09 -0.52 0.00 0.35 -1.57 0.00 0.00 179.24 177.59 2bjh n THR 78 N -5.46 0.00 -2.95 0.35 -2.24 -0.81 -4.73 114.28 98.44 2bjh n THR 78 Ca -0.12 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.22 2bjh n THR 78 Cb 0.35 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 2bjh n THR 78 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2bjh s ASN 79 N -1.53 6.40 -0.02 3.42 3.84 -1.21 -4.89 114.94 120.95 2bjh s ASN 79 Ca 0.24 -1.61 0.09 0.00 0.21 0.00 0.00 52.86 51.78 2bjh s ASN 79 Cb 0.11 -2.38 0.29 0.00 -0.55 0.00 0.00 41.25 38.72 2bjh s ASN 79 CO 0.18 -1.18 1.19 -1.22 -2.79 0.00 0.00 177.10 173.28 2bjh n TYR 80 N 6.78 0.52 -1.98 0.43 0.53 -1.26 -2.94 117.16 119.24 2bjh n TYR 80 Ca 0.08 -0.23 -0.42 0.00 -1.02 0.00 0.00 57.90 56.31 2bjh n TYR 80 Cb 0.47 -0.06 -0.03 0.00 -1.03 0.00 0.00 39.34 38.69 2bjh n TYR 80 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 2bjh s THR 81 N -1.62 3.36 -0.04 -0.72 2.01 -1.26 -4.71 115.64 112.66 2bjh s THR 81 Ca 0.22 0.63 -0.30 0.00 0.31 0.00 0.00 61.69 62.54 2bjh s THR 81 Cb 0.12 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2bjh s THR 81 CO 0.13 -0.03 1.33 -0.76 -0.69 0.00 0.00 174.62 174.60 2bjh s LEU 82 N 3.33 4.29 0.05 4.42 1.43 -1.26 0.72 118.68 131.66 2bjh s LEU 82 Ca 0.73 1.96 0.06 0.00 -1.03 0.00 0.00 54.13 55.86 2bjh s LEU 82 Cb -0.36 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 2bjh s LEU 82 CO 0.31 -0.69 -0.18 0.28 0.23 0.00 0.00 176.35 176.30 2bjh s THR 83 N 2.57 1.43 0.48 5.49 -1.32 -0.93 -4.86 115.64 118.51 2bjh s THR 83 Ca 0.60 -1.15 -0.24 0.00 -1.21 0.00 0.00 61.69 59.70 2bjh s THR 83 Cb -0.28 -1.27 -0.07 0.00 -1.51 0.00 0.00 72.50 69.37 2bjh s THR 83 CO 0.24 0.09 1.34 -2.84 -2.21 0.00 0.00 174.62 171.24 2bjh s PRO 84 N -1.24 3.53 -1.24 7.08 0.02 -1.26 -0.41 135.00 141.48 2bjh s PRO 84 Ca 0.05 2.22 -0.13 0.00 0.02 0.00 0.00 61.00 63.16 2bjh s PRO 84 Cb -0.09 -2.49 0.16 0.00 0.02 0.00 0.00 34.50 32.11 2bjh s PRO 84 CO 0.02 -0.87 1.59 0.34 -0.33 0.00 0.00 177.00 177.75 2bjh n PHE 85 N -0.50 4.41 0.29 6.54 7.35 -0.31 -4.78 117.46 130.46 2bjh n PHE 85 Ca 0.07 -3.17 0.17 0.00 -0.76 0.00 0.00 57.45 53.76 2bjh n PHE 85 Cb 0.44 -2.18 0.66 0.00 0.35 0.00 0.00 39.48 38.75 2bjh n PHE 85 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2bjh h ASP 86 N 6.79 0.00 1.96 -2.13 3.32 -1.91 -2.80 116.42 121.65 2bjh h ASP 86 Ca 0.36 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 2bjh h ASP 86 Cb 0.80 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 2bjh h ASP 86 CO 1.38 0.00 -0.03 0.71 -1.72 0.00 0.00 179.24 179.58 2bjh h THR 87 N 0.00 0.05 -2.18 0.35 1.35 -2.01 -3.35 112.91 107.12 2bjh h THR 87 Ca 0.00 -1.06 -0.58 0.00 -0.55 0.00 0.00 66.41 64.22 2bjh h THR 87 Cb 0.50 2.02 -0.41 0.00 -1.73 0.00 0.00 68.15 68.52 2bjh h THR 87 CO 0.00 0.03 -0.72 -0.11 -0.25 0.00 0.00 175.52 174.47 2bjh n LEU 88 N -3.11 3.31 -0.28 3.87 7.94 -1.05 -4.96 117.00 122.72 2bjh n LEU 88 Ca 0.04 -5.40 0.09 0.00 -1.11 0.00 0.00 56.01 49.63 2bjh n LEU 88 Cb 0.54 -0.35 0.21 0.00 0.53 0.00 0.00 43.42 44.35 2bjh n LEU 88 CO 0.34 2.18 0.84 -0.65 -1.11 0.00 0.00 177.39 178.99 2bjh h PRO 89 N 3.66 0.11 0.00 1.96 0.11 -1.71 0.18 132.00 136.31 2bjh h PRO 89 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2bjh h PRO 89 Cb 0.66 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2bjh h PRO 89 CO 0.76 0.07 0.56 -0.56 -0.21 0.00 0.00 178.00 178.62 2bjh h GLN 90 N 0.11 0.00 -5.04 1.05 -0.00 -1.92 -3.18 115.11 106.13 2bjh h GLN 90 Ca 0.48 0.00 -0.70 0.00 -0.00 0.00 0.00 58.65 58.43 2bjh h GLN 90 Cb 0.90 0.00 -0.16 0.00 -0.00 0.00 0.00 27.48 28.22 2bjh h GLN 90 CO -0.72 0.00 1.20 0.00 -0.00 0.00 0.00 178.83 179.31 2bjh s ASN 92 N 3.42 6.85 0.00 0.00 2.47 -1.20 -2.79 114.94 123.68 2bjh s ASN 92 Ca 0.39 2.43 0.00 0.00 0.42 0.00 0.00 52.86 56.10 2bjh s ASN 92 Cb -0.03 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 2bjh s ASN 92 CO -0.04 -0.57 0.00 0.47 -3.72 0.00 0.00 177.10 173.24 2bjh n ASP 93 N 2.77 -3.50 -4.71 -4.21 8.00 -1.26 -4.75 116.55 108.90 2bjh n ASP 93 Ca 0.07 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.15 2bjh n ASP 93 Cb 0.42 -2.29 -0.03 0.00 -0.02 0.00 0.00 41.12 39.20 2bjh n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bjh s GLU 95 N 1.24 0.48 0.24 0.00 2.02 -1.26 -1.17 118.70 120.26 2bjh s GLU 95 Ca 0.55 -0.22 0.05 0.00 0.02 0.00 0.00 54.97 55.38 2bjh s GLU 95 Cb -0.25 -0.47 -0.05 0.00 0.10 0.00 0.00 34.13 33.46 2bjh s GLU 95 CO 0.27 0.13 -0.05 0.14 0.02 0.00 0.00 175.26 175.77 2bjh s VAL 96 N -0.16 1.41 -0.67 2.63 -7.23 0.45 -0.34 120.40 116.49 2bjh s VAL 96 Ca 0.02 -2.10 -0.38 0.00 -1.81 0.00 0.00 61.98 57.71 2bjh s VAL 96 Cb -0.02 -2.32 -0.20 0.00 0.56 0.00 0.00 36.38 34.40 2bjh s VAL 96 CO -0.00 -0.38 2.30 1.57 -0.31 0.00 0.00 175.10 178.28 2bjh n HIS 97 N -0.47 0.91 0.04 2.82 -0.00 -1.26 -2.18 115.22 115.08 2bjh n HIS 97 Ca -0.06 0.61 0.21 0.00 0.46 0.00 0.00 57.72 58.94 2bjh n HIS 97 Cb 0.63 -2.27 0.65 0.00 -0.12 0.00 0.00 29.99 28.88 2bjh n HIS 97 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2bjh h GLY 98 N 9.90 0.00 1.11 1.57 0.00 0.16 -1.19 103.07 114.62 2bjh h GLY 98 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.93 2bjh h GLY 98 CO 1.18 0.00 -1.62 -1.33 0.00 0.00 0.00 176.54 174.77 2bjh h GLY 99 N 0.00 0.35 2.00 4.60 0.00 -1.71 -3.23 103.07 105.08 2bjh h GLY 99 Ca 0.25 -0.89 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 2bjh h GLY 99 CO -0.00 0.78 -0.42 -0.97 0.00 0.00 0.00 176.54 175.93 2bjh h TYR 100 N 0.08 0.00 -0.35 5.60 0.99 -1.42 -2.42 116.97 119.46 2bjh h TYR 100 Ca -0.28 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.39 2bjh h TYR 100 Cb 2.05 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 39.76 2bjh h TYR 100 CO 0.08 0.42 -0.04 -0.92 -0.00 0.00 0.00 178.16 177.70 2bjh h TYR 101 N 0.00 0.58 0.00 4.88 3.20 -1.37 0.32 116.97 124.58 2bjh h TYR 101 Ca -0.00 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.74 2bjh h TYR 101 Cb 0.96 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 2bjh h TYR 101 CO 0.00 0.59 -0.26 0.82 -1.64 0.00 0.00 178.16 177.67 2bjh h ILE 102 N 0.52 0.74 0.17 1.81 1.08 -1.45 -1.69 117.51 118.69 2bjh h ILE 102 Ca 0.11 -1.11 -0.24 0.00 -0.39 0.00 0.00 64.86 63.23 2bjh h ILE 102 Cb 0.39 1.69 0.02 0.00 -3.07 0.00 0.00 36.82 35.86 2bjh h ILE 102 CO 0.02 0.26 -1.10 1.23 -0.69 0.00 0.00 178.15 177.87 2bjh h GLY 103 N 1.62 0.40 0.86 5.37 0.00 -0.75 -3.18 103.07 107.40 2bjh h GLY 103 Ca -0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 47.33 46.29 2bjh h GLY 103 CO 0.03 0.90 0.02 -0.25 0.00 0.00 0.00 176.54 177.25 2bjh h TRP 104 N -0.22 0.07 -0.19 5.60 2.91 -0.29 -3.03 115.95 120.79 2bjh h TRP 104 Ca -0.20 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.76 2bjh h TRP 104 Cb 1.80 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 30.42 2bjh h TRP 104 CO 0.17 0.19 -0.12 -0.84 -1.03 0.00 0.00 178.44 176.81 2bjh h ILE 105 N -0.08 1.19 0.00 2.65 3.07 -1.47 0.15 117.51 123.02 2bjh h ILE 105 Ca 0.02 -0.83 0.00 0.00 1.55 0.00 0.00 64.86 65.59 2bjh h ILE 105 Cb 0.15 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 37.88 2bjh h ILE 105 CO -0.00 0.26 0.00 -1.54 -1.05 0.00 0.00 178.15 175.82 2bjh n SER 106 N -4.26 0.46 -0.21 2.16 3.41 -1.15 -2.96 113.62 111.08 2bjh n SER 106 Ca -0.00 0.62 0.01 0.00 -0.26 0.00 0.00 58.87 59.24 2bjh n SER 106 Cb 0.28 -0.72 0.01 0.00 -0.26 0.00 0.00 64.21 63.52 2bjh n SER 106 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2bjh n VAL 107 N -2.02 0.27 0.38 -3.33 0.24 -0.92 -4.85 118.33 108.10 2bjh n VAL 107 Ca 0.02 -0.30 -0.15 0.00 -2.04 0.00 0.00 64.34 61.87 2bjh n VAL 107 Cb 0.19 0.64 -0.07 0.00 -1.47 0.00 0.00 33.84 33.13 2bjh n VAL 107 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 2bjh h GLN 108 N 0.00 -0.94 -0.97 7.34 4.15 -0.61 -2.12 115.11 121.97 2bjh h GLN 108 Ca 0.00 0.06 0.14 0.00 0.77 0.00 0.00 58.65 59.62 2bjh h GLN 108 Cb 1.11 0.21 -0.15 0.00 0.21 0.00 0.00 27.48 28.87 2bjh h GLN 108 CO 0.00 -0.63 -0.43 -0.25 -1.93 0.00 0.00 178.83 175.60 2bjh n ASP 109 N -4.88 -0.73 0.24 -0.69 8.00 -1.26 -1.09 116.55 116.15 2bjh n ASP 109 Ca -0.12 1.71 -0.16 0.00 0.71 0.00 0.00 54.79 56.92 2bjh n ASP 109 Cb 0.38 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 41.05 2bjh n ASP 109 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2bjh h GLN 110 N 0.00 -0.81 -0.45 -1.24 4.15 -1.93 -0.35 115.11 114.48 2bjh h GLN 110 Ca 0.29 0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.86 2bjh h GLN 110 Cb 0.54 0.18 -0.08 0.00 0.21 0.00 0.00 27.48 28.33 2bjh h GLN 110 CO -0.96 -0.54 -0.08 0.28 -1.93 0.00 0.00 178.83 175.61 2bjh h VAL 111 N -0.84 0.58 -0.20 2.39 2.07 -0.46 -0.99 116.25 118.80 2bjh h VAL 111 Ca -0.03 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 2bjh h VAL 111 Cb 0.75 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2bjh h VAL 111 CO -0.08 0.01 -0.20 -0.33 0.02 0.00 0.00 177.57 176.99 2bjh h GLU 112 N 0.03 0.35 0.76 1.57 5.08 -1.00 -1.39 114.58 119.98 2bjh h GLU 112 Ca 0.22 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2bjh h GLU 112 Cb 0.33 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.56 2bjh h GLU 112 CO -0.44 0.54 -0.37 0.77 -1.00 0.00 0.00 179.01 178.52 2bjh h SER 113 N 0.32 -0.87 0.55 1.42 0.02 0.17 -2.24 113.55 112.91 2bjh h SER 113 Ca 0.06 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2bjh h SER 113 Cb 0.53 0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 2bjh h SER 113 CO 0.04 -0.52 -0.31 -0.07 -1.14 0.00 0.00 176.83 174.83 2bjh h LEU 114 N -1.21 -0.77 -0.96 5.07 3.38 -1.23 -2.35 115.31 117.24 2bjh h LEU 114 Ca -0.10 0.04 0.24 0.00 0.09 0.00 0.00 57.88 58.15 2bjh h LEU 114 Cb 0.80 0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.64 2bjh h LEU 114 CO 0.17 -0.50 0.52 0.58 0.09 0.00 0.00 178.44 179.30 2bjh h VAL 115 N -0.80 0.50 0.23 1.22 2.07 -1.34 0.31 116.25 118.43 2bjh h VAL 115 Ca -0.07 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2bjh h VAL 115 Cb 0.64 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2bjh h VAL 115 CO 0.08 0.09 -0.11 0.50 0.02 0.00 0.00 177.57 178.15 2bjh h LYS 116 N 0.50 -0.30 -0.16 1.57 3.64 -1.15 -1.29 116.57 119.39 2bjh h LYS 116 Ca 0.62 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 60.06 2bjh h LYS 116 Cb 1.19 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 33.01 2bjh h LYS 116 CO -0.50 -0.13 -0.44 0.37 -2.27 0.00 0.00 179.45 176.48 2bjh h GLN 117 N -0.40 -0.47 -0.89 1.90 4.15 -0.44 -0.12 115.11 118.83 2bjh h GLN 117 Ca -0.03 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.48 2bjh h GLN 117 Cb 0.31 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.05 2bjh h GLN 117 CO 0.05 -0.32 0.58 1.96 -1.93 0.00 0.00 178.83 179.18 2bjh h GLN 118 N -0.49 0.99 -0.84 1.69 1.08 -1.30 -1.55 115.11 114.68 2bjh h GLN 118 Ca 0.07 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 2bjh h GLN 118 Cb 0.63 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 2bjh h GLN 118 CO -0.42 0.65 0.43 0.00 -0.95 0.00 0.00 178.83 178.54 2bjh h ALA 119 N 1.51 1.17 -0.07 3.87 0.00 0.04 -0.32 119.26 125.47 2bjh h ALA 119 Ca 0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2bjh h ALA 119 Cb 0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2bjh h ALA 119 CO -0.14 0.65 -0.07 0.66 0.00 0.00 0.00 179.25 180.35 2bjh h SER 120 N 1.19 0.18 0.64 0.00 4.64 -0.26 -2.32 113.55 117.62 2bjh h SER 120 Ca 0.29 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2bjh h SER 120 Cb 0.07 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2bjh h SER 120 CO -0.04 0.63 0.00 1.56 -0.87 0.00 0.00 176.83 178.10 2bjh h GLN 121 N -0.26 0.00 -2.04 4.77 4.20 -1.18 -3.27 115.11 117.33 2bjh h GLN 121 Ca 0.01 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.21 2bjh h GLN 121 Cb 0.57 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.95 2bjh h GLN 121 CO 0.02 0.00 -1.10 0.66 -0.67 0.00 0.00 178.83 177.74 2bjh n TYR 122 N -2.40 0.64 -0.39 2.96 4.01 -0.14 -5.00 117.16 116.83 2bjh n TYR 122 Ca 0.01 -3.80 -0.04 0.00 -0.16 0.00 0.00 57.90 53.91 2bjh n TYR 122 Cb 0.21 -0.42 -0.00 0.00 -0.31 0.00 0.00 39.34 38.81 2bjh n TYR 122 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2bjh h PRO 123 N 3.23 -0.01 -0.10 -0.72 0.11 -1.48 0.10 132.00 133.13 2bjh h PRO 123 Ca 0.10 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 2bjh h PRO 123 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 2bjh h PRO 123 CO 0.54 -0.01 -0.23 -0.44 -0.21 0.00 0.00 178.00 177.66 2bjh h ASP 124 N -0.01 0.16 -3.49 -2.05 5.19 -1.94 -3.45 116.42 110.82 2bjh h ASP 124 Ca 0.29 -0.04 -0.56 0.00 -0.62 0.00 0.00 57.03 56.10 2bjh h ASP 124 Cb 0.54 -0.04 0.11 0.00 0.18 0.00 0.00 39.33 40.12 2bjh h ASP 124 CO -0.96 0.39 0.58 -1.22 -3.12 0.00 0.00 179.24 174.91 2bjh n TYR 125 N -4.21 2.47 -3.57 4.55 4.02 0.02 -4.98 117.16 115.47 2bjh n TYR 125 Ca -0.01 0.52 -0.31 0.00 -0.01 0.00 0.00 57.90 58.09 2bjh n TYR 125 Cb 0.32 -2.45 -0.05 0.00 -0.02 0.00 0.00 39.34 37.15 2bjh n TYR 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bjh s ALA 126 N -1.11 3.72 -0.11 -0.72 0.00 -0.98 -4.86 121.76 117.70 2bjh s ALA 126 Ca 0.55 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 2bjh s ALA 126 Cb -0.54 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 2bjh s ALA 126 CO 0.62 0.56 0.27 -0.51 0.00 0.00 0.00 175.76 176.70 2bjh s LEU 127 N -2.87 4.34 -0.05 0.00 1.43 0.46 -0.24 118.68 121.77 2bjh s LEU 127 Ca 0.43 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 2bjh s LEU 127 Cb -0.12 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.81 2bjh s LEU 127 CO 0.25 0.25 -0.01 -0.89 0.23 0.00 0.00 176.35 176.18 2bjh s THR 128 N -0.37 0.33 0.00 5.49 2.01 0.11 0.44 115.64 123.66 2bjh s THR 128 Ca 0.17 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.28 2bjh s THR 128 Cb -0.13 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 2bjh s THR 128 CO 0.06 0.20 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.31 2bjh s VAL 129 N 1.27 2.70 0.22 3.82 1.01 0.54 0.66 120.40 130.61 2bjh s VAL 129 Ca -0.06 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 60.72 2bjh s VAL 129 Cb -0.13 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.18 2bjh s VAL 129 CO -0.02 0.45 0.50 0.28 0.00 0.00 0.00 175.10 176.31 2bjh s THR 130 N -0.81 0.02 0.00 3.92 -1.32 -0.27 -0.62 115.64 116.55 2bjh s THR 130 Ca 0.13 -1.08 0.00 0.00 -1.21 0.00 0.00 61.69 59.52 2bjh s THR 130 Cb -0.10 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 69.03 2bjh s THR 130 CO 0.03 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 2bjh n GLY 131 N -0.35 0.19 3.08 6.08 0.00 -0.95 -2.42 105.19 110.82 2bjh n GLY 131 Ca -0.06 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 2bjh n GLY 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bjh s HIS 132 N -2.00 0.99 0.00 1.61 2.46 -1.26 -1.91 115.29 115.18 2bjh s HIS 132 Ca 0.00 -0.29 0.00 0.00 0.47 0.00 0.00 55.06 55.24 2bjh s HIS 132 Cb 0.00 -0.60 0.00 0.00 -0.13 0.00 0.00 32.58 31.85 2bjh s HIS 132 CO 0.00 -0.00 0.00 0.00 -2.47 0.00 0.00 174.74 172.27 2bjh n ALA 133 N 2.24 0.00 0.24 1.58 0.00 -0.82 -1.31 120.51 122.43 2bjh n ALA 133 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.37 2bjh n ALA 133 Cb 0.56 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.59 2bjh n ALA 133 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2bjh h LEU 134 N 0.00 0.00 -2.00 0.00 8.10 -1.88 -0.72 115.31 118.81 2bjh h LEU 134 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 2bjh h LEU 134 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2bjh h LEU 134 CO 0.00 0.20 -0.10 1.23 -4.11 0.00 0.00 178.44 175.66 2bjh h GLY 135 N 1.17 0.00 1.35 0.17 0.00 -1.26 -1.21 103.07 103.29 2bjh h GLY 135 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 2bjh h GLY 135 CO 0.03 0.00 -1.06 0.00 0.00 0.00 0.00 176.54 175.51 2bjh h ALA 136 N 1.90 0.19 -0.30 3.60 0.00 -1.12 -2.11 119.26 121.41 2bjh h ALA 136 Ca -0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 54.91 54.08 2bjh h ALA 136 Cb 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2bjh h ALA 136 CO 0.01 0.75 -0.24 0.77 0.00 0.00 0.00 179.25 180.54 2bjh h SER 137 N 0.30 0.73 -0.97 0.00 0.02 -1.37 -0.82 113.55 111.44 2bjh h SER 137 Ca -0.12 -0.45 0.10 0.00 -0.84 0.00 0.00 61.79 60.48 2bjh h SER 137 Cb 1.71 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.97 2bjh h SER 137 CO 0.20 1.02 0.61 0.24 -1.14 0.00 0.00 176.83 177.76 2bjh h MET 138 N 0.44 0.98 0.00 3.45 2.07 -1.27 0.27 114.93 120.87 2bjh h MET 138 Ca 0.06 -0.06 -0.07 0.00 -2.07 0.00 0.00 59.70 57.56 2bjh h MET 138 Cb 0.79 -0.22 -0.01 0.00 -1.87 0.00 0.00 31.60 30.29 2bjh h MET 138 CO 0.06 0.65 -0.33 0.00 1.07 0.00 0.00 176.91 178.36 2bjh h ALA 139 N 1.50 0.99 0.13 6.32 0.00 -1.07 -1.51 119.26 125.63 2bjh h ALA 139 Ca 0.46 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.77 2bjh h ALA 139 Cb 0.38 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.15 2bjh h ALA 139 CO -0.24 0.41 -1.26 0.00 0.00 0.00 0.00 179.25 178.17 2bjh h ALA 140 N 1.67 0.01 -0.34 0.00 0.00 0.86 0.13 119.26 121.58 2bjh h ALA 140 Ca -0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 54.91 53.96 2bjh h ALA 140 Cb 0.87 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2bjh h ALA 140 CO 0.04 0.72 -0.40 -0.07 0.00 0.00 0.00 179.25 179.54 2bjh h LEU 141 N 0.24 0.90 0.16 0.00 3.38 -0.63 0.14 115.31 119.51 2bjh h LEU 141 Ca -0.19 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 2bjh h LEU 141 Cb 1.93 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2bjh h LEU 141 CO 0.24 1.19 -0.08 0.74 0.09 0.00 0.00 178.44 180.62 2bjh h THR 142 N 0.69 0.97 -0.64 0.22 2.02 -1.32 -1.51 112.91 113.34 2bjh h THR 142 Ca 0.05 -0.82 0.11 0.00 0.77 0.00 0.00 66.41 66.52 2bjh h THR 142 Cb 0.98 1.45 -0.08 0.00 -1.74 0.00 0.00 68.15 68.76 2bjh h THR 142 CO 0.09 0.18 0.23 0.00 0.37 0.00 0.00 175.52 176.39 2bjh h ALA 143 N 0.09 0.83 0.01 6.16 0.00 -0.67 -0.70 119.26 124.98 2bjh h ALA 143 Ca -0.02 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2bjh h ALA 143 Cb 0.47 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2bjh h ALA 143 CO 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 179.25 179.01 2bjh h ALA 144 N 1.45 -0.07 0.05 0.00 0.00 -0.69 -1.20 119.26 118.81 2bjh h ALA 144 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2bjh h ALA 144 Cb 0.44 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2bjh h ALA 144 CO -0.34 -0.56 -0.19 0.37 0.00 0.00 0.00 179.25 178.53 2bjh h GLN 145 N -0.11 -0.26 -1.17 0.00 5.75 -0.17 -1.49 115.11 117.65 2bjh h GLN 145 Ca 0.02 0.02 0.34 0.00 -0.15 0.00 0.00 58.65 58.88 2bjh h GLN 145 Cb 0.14 0.06 -0.10 0.00 1.07 0.00 0.00 27.48 28.65 2bjh h GLN 145 CO -0.05 -0.18 0.77 -0.07 -2.65 0.00 0.00 178.83 176.65 2bjh h LEU 146 N -0.27 0.30 -1.78 -2.39 3.38 -1.12 0.20 115.31 113.63 2bjh h LEU 146 Ca -0.00 0.08 0.36 0.00 0.09 0.00 0.00 57.88 58.41 2bjh h LEU 146 Cb 0.27 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 2bjh h LEU 146 CO -0.10 -0.01 0.88 0.28 0.09 0.00 0.00 178.44 179.58 2bjh h SER 147 N 0.23 0.13 -0.18 -0.43 0.02 -0.10 0.95 113.55 114.16 2bjh h SER 147 Ca 0.67 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.62 2bjh h SER 147 Cb 2.01 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.56 2bjh h SER 147 CO -0.28 -0.00 -0.03 0.00 -1.14 0.00 0.00 176.83 175.39 2bjh h ALA 148 N 1.43 0.25 0.00 3.77 0.00 -0.64 -3.37 119.26 120.70 2bjh h ALA 148 Ca 0.65 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 2bjh h ALA 148 Cb 2.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.02 2bjh h ALA 148 CO -0.13 -0.00 -0.40 1.15 0.00 0.00 0.00 179.25 179.87 2bjh h THR 149 N 0.07 1.19 -2.52 0.00 2.02 -1.02 -3.47 112.91 109.17 2bjh h THR 149 Ca 0.05 -2.03 -0.54 0.00 0.77 0.00 0.00 66.41 64.65 2bjh h THR 149 Cb 0.44 2.39 -0.05 0.00 -1.74 0.00 0.00 68.15 69.19 2bjh h THR 149 CO 0.01 0.40 -0.53 -0.31 0.37 0.00 0.00 175.52 175.46 2bjh s TYR 150 N -2.18 3.21 -0.16 3.16 1.51 -0.34 -5.04 117.35 117.52 2bjh s TYR 150 Ca -0.19 -0.02 0.16 0.00 -1.01 0.00 0.00 57.07 56.01 2bjh s TYR 150 Cb 0.00 -1.51 -0.23 0.00 -0.11 0.00 0.00 41.96 40.11 2bjh s TYR 150 CO 0.54 0.51 0.11 -0.25 -1.11 0.00 0.00 175.55 175.35 2bjh n ASP 151 N -0.65 0.55 -2.40 2.29 10.43 -1.26 -4.29 116.55 121.22 2bjh n ASP 151 Ca -0.08 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.05 2bjh n ASP 151 Cb 0.56 1.06 -0.10 0.00 1.84 0.00 0.00 41.12 44.48 2bjh n ASP 151 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 2bjh n ASN 152 N -2.61 6.19 -4.61 -2.24 2.04 -1.26 -4.90 115.26 107.87 2bjh n ASN 152 Ca -0.26 -2.90 -0.36 0.00 -0.44 0.00 0.00 54.58 50.62 2bjh n ASN 152 Cb 1.01 -1.33 -0.10 0.00 -2.53 0.00 0.00 39.78 36.84 2bjh n ASN 152 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 2bjh s VAL 153 N -0.77 4.96 0.00 3.53 1.01 -1.25 -0.40 120.40 127.48 2bjh s VAL 153 Ca 0.62 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.70 2bjh s VAL 153 Cb 0.34 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 2bjh s VAL 153 CO -0.12 0.38 -0.16 -0.13 0.00 0.00 0.00 175.10 175.07 2bjh s ARG 154 N 0.94 2.28 -0.09 2.72 0.52 0.17 -4.90 118.95 120.60 2bjh s ARG 154 Ca 0.06 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 2bjh s ARG 154 Cb -0.14 -2.29 0.01 0.00 0.52 0.00 0.00 34.95 33.06 2bjh s ARG 154 CO 0.03 0.58 -0.13 -1.17 0.02 0.00 0.00 175.30 174.62 2bjh s LEU 155 N -1.17 1.64 -0.14 2.53 2.96 0.26 -0.34 118.68 124.42 2bjh s LEU 155 Ca 0.14 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.68 2bjh s LEU 155 Cb -0.11 -0.96 0.03 0.00 0.50 0.00 0.00 46.19 45.65 2bjh s LEU 155 CO 0.04 0.01 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.69 2bjh s TYR 156 N 0.92 1.74 0.05 5.38 1.51 0.20 0.14 117.35 127.28 2bjh s TYR 156 Ca -0.09 -0.99 0.04 0.00 -1.01 0.00 0.00 57.07 55.02 2bjh s TYR 156 Cb -0.15 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.32 2bjh s TYR 156 CO 0.00 -0.59 -0.11 0.95 -1.11 0.00 0.00 175.55 174.69 2bjh s THR 157 N 1.63 0.85 -0.04 -0.71 -4.23 -0.54 -2.23 115.64 110.36 2bjh s THR 157 Ca 0.03 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 2bjh s THR 157 Cb -0.14 -0.83 0.01 0.00 1.34 0.00 0.00 72.50 72.88 2bjh s THR 157 CO -0.09 -0.21 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.32 2bjh s PHE 158 N -1.15 1.17 -1.42 3.99 0.40 -0.80 -0.03 117.98 120.14 2bjh s PHE 158 Ca -0.04 -0.36 -0.07 0.00 -0.60 0.00 0.00 56.93 55.86 2bjh s PHE 158 Cb -0.09 -0.86 0.01 0.00 0.51 0.00 0.00 43.02 42.59 2bjh s PHE 158 CO 0.01 -0.18 0.97 0.41 0.70 0.00 0.00 175.22 177.13 2bjh n GLY 159 N 3.58 -0.52 3.69 4.36 0.00 -0.95 -1.95 105.19 113.39 2bjh n GLY 159 Ca -0.21 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2bjh n GLY 159 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bjh s GLU 160 N -6.08 4.33 1.00 1.61 2.12 -1.26 -3.28 118.70 117.15 2bjh s GLU 160 Ca 0.48 1.74 -0.12 0.00 0.36 0.00 0.00 54.97 57.43 2bjh s GLU 160 Cb -0.21 -3.57 0.19 0.00 0.26 0.00 0.00 34.13 30.80 2bjh s GLU 160 CO 0.59 -0.49 1.09 -2.14 -0.54 0.00 0.00 175.26 173.77 2bjh s PRO 161 N 2.31 0.39 -0.52 4.30 0.02 -1.26 -3.82 135.00 136.42 2bjh s PRO 161 Ca 0.58 0.59 -0.28 0.00 0.02 0.00 0.00 61.00 61.91 2bjh s PRO 161 Cb -0.26 -1.73 0.02 0.00 0.02 0.00 0.00 34.50 32.55 2bjh s PRO 161 CO 0.23 -2.77 1.37 1.03 -0.33 0.00 0.00 177.00 176.52 2bjh s ARG 162 N -4.91 3.42 -0.47 5.54 0.52 -0.53 -4.91 118.95 117.61 2bjh s ARG 162 Ca 0.65 0.55 -0.09 0.00 -0.52 0.00 0.00 55.73 56.32 2bjh s ARG 162 Cb -0.19 -4.07 0.12 0.00 0.52 0.00 0.00 34.95 31.33 2bjh s ARG 162 CO 0.58 -1.78 0.34 -1.54 0.02 0.00 0.00 175.30 172.92 2bjh s SER 163 N 3.99 5.69 0.00 0.23 1.04 -1.26 -4.22 113.70 119.17 2bjh s SER 163 Ca 0.53 -1.92 0.00 0.00 0.48 0.00 0.00 55.95 55.04 2bjh s SER 163 Cb -0.11 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.01 2bjh s SER 163 CO 0.27 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2bjh n GLY 164 N 4.89 2.46 0.00 7.32 0.00 -1.26 -4.73 105.19 113.87 2bjh n GLY 164 Ca -0.08 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2bjh n GLY 164 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bjh n ASN 165 N 0.00 0.00 -0.18 1.61 0.23 0.54 -1.63 115.26 115.83 2bjh n ASN 165 Ca 0.00 -0.65 -0.09 0.00 -0.53 0.00 0.00 54.58 53.31 2bjh n ASN 165 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.71 2bjh n ASN 165 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2bjh h GLN 166 N 0.00 0.80 -0.34 -3.83 5.75 -1.86 -2.49 115.11 113.14 2bjh h GLN 166 Ca 0.00 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.27 2bjh h GLN 166 Cb 0.00 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 2bjh h GLN 166 CO 0.00 0.77 0.08 0.00 -2.65 0.00 0.00 178.83 177.03 2bjh h ALA 167 N 1.00 0.45 -0.91 3.38 0.00 -1.90 -1.78 119.26 119.51 2bjh h ALA 167 Ca 0.16 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2bjh h ALA 167 Cb 0.33 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2bjh h ALA 167 CO 0.00 0.13 0.60 0.35 0.00 0.00 0.00 179.25 180.33 2bjh h PHE 168 N 0.40 1.11 -0.21 0.00 3.57 -1.82 -0.43 116.94 119.57 2bjh h PHE 168 Ca 0.11 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.51 2bjh h PHE 168 Cb 0.31 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2bjh h PHE 168 CO 0.02 0.67 -0.41 0.00 -2.23 0.00 0.00 178.31 176.36 2bjh h ALA 169 N 1.46 0.90 -0.46 2.41 0.00 -1.26 -2.35 119.26 119.97 2bjh h ALA 169 Ca 0.35 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2bjh h ALA 169 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2bjh h ALA 169 CO -0.10 0.64 0.02 0.77 0.00 0.00 0.00 179.25 180.58 2bjh h SER 170 N 0.41 0.70 -0.05 0.00 0.02 -0.35 -1.91 113.55 112.37 2bjh h SER 170 Ca 0.04 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2bjh h SER 170 Cb 0.89 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 2bjh h SER 170 CO 0.08 0.75 0.02 0.22 -1.14 0.00 0.00 176.83 176.76 2bjh h TYR 171 N 0.70 0.06 -0.69 3.45 3.20 -0.75 -2.04 116.97 120.90 2bjh h TYR 171 Ca 0.14 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2bjh h TYR 171 Cb 0.39 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 2bjh h TYR 171 CO 0.02 0.11 0.45 0.52 -1.64 0.00 0.00 178.16 177.63 2bjh h MET 172 N -0.01 0.92 -0.68 1.82 2.86 -1.10 -0.51 114.93 118.22 2bjh h MET 172 Ca 0.02 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2bjh h MET 172 Cb 0.07 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 2bjh h MET 172 CO -0.00 0.62 0.25 -0.91 1.06 0.00 0.00 176.91 177.93 2bjh h ASN 173 N 0.94 0.96 -0.09 1.22 2.35 -1.25 0.70 115.58 120.41 2bjh h ASN 173 Ca 0.25 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2bjh h ASN 173 Cb -0.09 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.02 2bjh h ASN 173 CO -0.05 0.88 0.04 -0.78 -1.65 0.00 0.00 177.43 175.87 2bjh h ASP 174 N 0.97 0.12 -0.39 5.81 3.58 -1.04 -0.06 116.42 125.41 2bjh h ASP 174 Ca 0.22 -0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.43 2bjh h ASP 174 Cb 0.24 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2bjh h ASP 174 CO -0.01 0.21 -0.21 0.00 -2.88 0.00 0.00 179.24 176.35 2bjh h ALA 175 N 0.91 0.55 -0.97 -0.78 0.00 -0.79 -3.25 119.26 114.93 2bjh h ALA 175 Ca 0.03 -0.37 -0.54 0.00 0.00 0.00 0.00 54.91 54.03 2bjh h ALA 175 Cb 0.13 -0.13 -0.30 0.00 0.00 0.00 0.00 17.79 17.49 2bjh h ALA 175 CO -0.00 0.51 0.66 1.19 0.00 0.00 0.00 179.25 181.61 2bjh n PHE 176 N -4.23 3.02 -3.09 0.00 3.01 0.24 -4.92 117.46 111.48 2bjh n PHE 176 Ca -0.02 -2.12 -0.13 0.00 1.01 0.00 0.00 57.45 56.20 2bjh n PHE 176 Cb 0.43 -1.04 -0.02 0.00 -0.01 0.00 0.00 39.48 38.84 2bjh n PHE 176 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2bjh n GLN 177 N -1.09 -2.35 0.24 -1.08 6.02 -0.79 -0.77 117.38 117.57 2bjh n GLN 177 Ca 0.59 0.05 0.10 0.00 -0.01 0.00 0.00 57.00 57.73 2bjh n GLN 177 Cb 1.41 -4.58 0.54 0.00 1.02 0.00 0.00 30.24 28.63 2bjh n GLN 177 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2bjh h VAL 178 N -0.26 0.00 -0.62 5.09 2.07 -1.29 -3.03 116.25 118.21 2bjh h VAL 178 Ca -0.18 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.52 2bjh h VAL 178 Cb 1.12 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 31.21 2bjh h VAL 178 CO 0.27 0.00 0.05 -1.20 0.02 0.00 0.00 177.57 176.70 2bjh n SER 179 N -2.41 -0.04 -3.68 0.57 7.64 -1.26 -4.43 113.62 110.01 2bjh n SER 179 Ca -0.01 1.05 -0.14 0.00 1.01 0.00 0.00 58.87 60.77 2bjh n SER 179 Cb 0.35 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 63.07 2bjh n SER 179 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2bjh s SER 180 N -4.97 -0.48 0.18 6.43 0.15 -1.15 -5.06 113.70 108.80 2bjh s SER 180 Ca -0.08 0.76 -0.25 0.00 0.70 0.00 0.00 55.95 57.08 2bjh s SER 180 Cb 0.18 0.79 0.05 0.00 -1.71 0.00 0.00 66.02 65.33 2bjh s SER 180 CO 0.48 -0.31 1.51 -2.65 1.20 0.00 0.00 173.24 173.47 2bjh n PRO 181 N 2.12 -0.35 0.00 5.44 -0.02 -1.26 -1.72 135.00 139.21 2bjh n PRO 181 Ca -0.16 1.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.80 2bjh n PRO 181 Cb 0.56 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2bjh n PRO 181 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2bjh n GLU 182 N -5.30 0.56 0.00 -0.52 0.00 -1.26 -2.03 120.64 112.09 2bjh n GLU 182 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2bjh n GLU 182 Cb 0.31 -1.23 0.00 0.00 0.00 0.00 0.00 31.44 30.51 2bjh n GLU 182 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2bjh n THR 183 N 0.60 0.00 -1.97 6.31 -2.24 -0.70 -5.13 114.28 111.15 2bjh n THR 183 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 2bjh n THR 183 Cb 0.25 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 68.87 2bjh n THR 183 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bjh s THR 184 N 0.00 2.89 -0.02 4.28 2.01 -0.86 -4.45 115.64 119.49 2bjh s THR 184 Ca 0.00 0.51 0.04 0.00 0.31 0.00 0.00 61.69 62.54 2bjh s THR 184 Cb 0.00 -3.14 0.05 0.00 0.01 0.00 0.00 72.50 69.43 2bjh s THR 184 CO 0.00 -0.16 0.89 0.00 -0.69 0.00 0.00 174.62 174.65 2bjh n GLN 185 N -1.80 0.64 -3.90 4.92 6.02 0.05 -4.97 117.38 118.33 2bjh n GLN 185 Ca 0.12 -1.22 -0.30 0.00 -0.01 0.00 0.00 57.00 55.59 2bjh n GLN 185 Cb 0.51 -0.75 -0.15 0.00 1.02 0.00 0.00 30.24 30.86 2bjh n GLN 185 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2bjh s TYR 186 N -0.67 2.66 -0.48 1.08 5.04 -1.26 -0.57 117.35 123.15 2bjh s TYR 186 Ca 0.06 -2.18 -0.13 0.00 -2.44 0.00 0.00 57.07 52.38 2bjh s TYR 186 Cb 0.05 -2.08 0.10 0.00 0.35 0.00 0.00 41.96 40.38 2bjh s TYR 186 CO 0.01 -0.87 0.38 -0.06 -1.34 0.00 0.00 175.55 173.67 2bjh s PHE 187 N 1.29 3.30 -0.53 4.97 0.40 0.12 -3.07 117.98 124.46 2bjh s PHE 187 Ca 0.05 -1.34 -0.19 0.00 -0.60 0.00 0.00 56.93 54.85 2bjh s PHE 187 Cb -0.18 -3.36 0.08 0.00 0.51 0.00 0.00 43.02 40.06 2bjh s PHE 187 CO -0.13 -0.91 0.63 0.50 0.70 0.00 0.00 175.22 176.01 2bjh s ARG 188 N 1.53 3.08 -0.11 0.44 3.52 -0.88 -1.46 118.95 125.07 2bjh s ARG 188 Ca 0.04 -1.11 -0.15 0.00 -0.13 0.00 0.00 55.73 54.38 2bjh s ARG 188 Cb -0.26 -4.17 -0.05 0.00 -1.56 0.00 0.00 34.95 28.92 2bjh s ARG 188 CO 0.03 -1.32 0.37 0.08 -0.81 0.00 0.00 175.30 173.66 2bjh s VAL 189 N 2.52 5.21 0.34 7.11 1.01 0.95 0.32 120.40 137.87 2bjh s VAL 189 Ca 0.12 0.73 0.08 0.00 0.00 0.00 0.00 61.98 62.92 2bjh s VAL 189 Cb -0.22 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 2bjh s VAL 189 CO 0.09 0.42 -0.06 0.42 0.00 0.00 0.00 175.10 175.98 2bjh s THR 190 N 0.09 2.03 -0.19 3.92 -4.23 0.05 -2.24 115.64 115.05 2bjh s THR 190 Ca 0.21 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.54 2bjh s THR 190 Cb -0.14 -2.69 0.09 0.00 1.34 0.00 0.00 72.50 71.09 2bjh s THR 190 CO 0.08 -0.17 0.20 -2.28 -0.54 0.00 0.00 174.62 171.91 2bjh s HIS 191 N -2.74 -0.20 0.00 3.99 5.65 -1.26 -1.06 115.29 119.67 2bjh s HIS 191 Ca 0.33 0.15 0.00 0.00 0.25 0.00 0.00 55.06 55.79 2bjh s HIS 191 Cb 0.04 -0.41 0.00 0.00 -1.18 0.00 0.00 32.58 31.03 2bjh s HIS 191 CO 0.16 -0.58 0.00 0.45 -0.65 0.00 0.00 174.74 174.12 2bjh n SER 192 N 5.31 0.00 -1.99 9.88 2.88 -1.03 -0.61 113.62 128.06 2bjh n SER 192 Ca -0.06 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.28 2bjh n SER 192 Cb 0.49 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.13 2bjh n SER 192 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2bjh n ASN 193 N 6.69 3.85 -4.65 -3.46 0.23 -1.26 -4.52 115.26 112.14 2bjh n ASN 193 Ca 0.00 -3.68 -0.52 0.00 -0.53 0.00 0.00 54.58 49.85 2bjh n ASN 193 Cb 0.00 -0.80 -0.06 0.00 -2.08 0.00 0.00 39.78 36.85 2bjh n ASN 193 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2bjh n ASP 194 N -1.11 2.38 0.12 0.53 -0.08 0.22 -3.87 116.55 114.74 2bjh n ASP 194 Ca 0.54 1.08 0.12 0.00 -1.51 0.00 0.00 54.79 55.01 2bjh n ASP 194 Cb 1.41 -1.24 0.09 0.00 2.34 0.00 0.00 41.12 43.72 2bjh n ASP 194 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2bjh h GLY 195 N 6.29 0.00 0.95 0.27 0.00 -1.70 -3.38 103.07 105.50 2bjh h GLY 195 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2bjh h GLY 195 CO 0.88 0.00 0.15 -2.22 0.00 0.00 0.00 176.54 175.35 2bjh h ILE 196 N 0.00 1.12 0.00 2.60 1.08 -1.47 -1.12 117.51 119.73 2bjh h ILE 196 Ca 0.00 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2bjh h ILE 196 Cb 0.94 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 2bjh h ILE 196 CO 0.00 0.12 0.00 -0.81 -0.69 0.00 0.00 178.15 176.77 2bjh n PRO 197 N -4.83 0.09 0.02 2.37 -0.04 -1.25 -1.41 135.00 129.94 2bjh n PRO 197 Ca -0.02 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2bjh n PRO 197 Cb 0.08 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.11 2bjh n PRO 197 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bjh n ASN 198 N -1.13 0.64 -4.46 3.54 3.02 -0.42 -4.31 115.26 112.13 2bjh n ASN 198 Ca 0.02 -0.29 -0.31 0.00 -0.03 0.00 0.00 54.58 53.98 2bjh n ASN 198 Cb 0.02 0.62 -0.13 0.00 -0.61 0.00 0.00 39.78 39.69 2bjh n ASN 198 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bjh s LEU 199 N -3.60 2.61 1.00 3.41 2.01 -0.50 -4.09 118.68 119.52 2bjh s LEU 199 Ca 0.06 -0.43 -0.13 0.00 0.01 0.00 0.00 54.13 53.64 2bjh s LEU 199 Cb 0.15 -1.52 0.19 0.00 0.01 0.00 0.00 46.19 45.02 2bjh s LEU 199 CO 0.78 0.25 1.11 -2.16 1.01 0.00 0.00 176.35 177.34 2bjh s PRO 200 N -1.46 0.39 0.19 1.29 0.04 -1.26 -1.45 135.00 132.73 2bjh s PRO 200 Ca 0.15 0.36 -0.31 0.00 0.04 0.00 0.00 61.00 61.24 2bjh s PRO 200 Cb -0.10 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 2bjh s PRO 200 CO 0.05 -2.72 1.48 -1.25 0.04 0.00 0.00 177.00 174.60 2bjh s PRO 201 N -5.11 4.26 0.56 0.56 0.04 -1.26 -4.69 135.00 129.36 2bjh s PRO 201 Ca 0.66 2.28 0.32 0.00 0.04 0.00 0.00 61.00 64.29 2bjh s PRO 201 Cb -0.16 -3.16 1.66 0.00 0.04 0.00 0.00 34.50 32.88 2bjh s PRO 201 CO 0.56 -0.50 2.13 0.00 0.04 0.00 0.00 177.00 179.24 2bjh h ALA 202 N 6.10 1.20 0.00 8.56 0.00 -1.82 0.25 119.26 133.56 2bjh h ALA 202 Ca -0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2bjh h ALA 202 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2bjh h ALA 202 CO 0.85 0.09 -0.10 -0.44 0.00 0.00 0.00 179.25 179.64 2bjh h ASP 203 N 0.00 0.00 0.03 0.00 5.19 -1.91 -1.84 116.42 117.89 2bjh h ASP 203 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2bjh h ASP 203 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2bjh h ASP 203 CO 0.01 0.10 -0.05 1.21 -3.12 0.00 0.00 179.24 177.39 2bjh n GLU 204 N -3.75 1.57 0.00 3.56 2.13 0.88 -4.96 120.64 120.07 2bjh n GLU 204 Ca -0.02 -0.96 0.00 0.00 0.66 0.00 0.00 57.16 56.83 2bjh n GLU 204 Cb 0.21 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.44 2bjh n GLU 204 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bjh n GLY 205 N 1.22 2.43 3.42 8.31 0.00 -0.69 -5.04 105.19 114.84 2bjh n GLY 205 Ca 0.17 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 2bjh n GLY 205 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bjh n TYR 206 N 0.00 -1.07 -3.70 1.61 4.02 -1.25 -3.60 117.16 113.18 2bjh n TYR 206 Ca 0.00 0.17 -0.06 0.00 -0.01 0.00 0.00 57.90 58.00 2bjh n TYR 206 Cb 0.00 -1.74 -0.02 0.00 -0.02 0.00 0.00 39.34 37.57 2bjh n TYR 206 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bjh s ALA 207 N -2.39 -1.59 -0.14 -0.72 0.00 -0.65 -4.40 121.76 111.88 2bjh s ALA 207 Ca 0.60 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 2bjh s ALA 207 Cb -0.19 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2bjh s ALA 207 CO 0.65 -0.95 -0.05 -1.01 0.00 0.00 0.00 175.76 174.40 2bjh s HIS 208 N -3.43 2.99 0.00 0.00 3.76 -1.26 -4.20 115.29 113.14 2bjh s HIS 208 Ca 0.10 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 2bjh s HIS 208 Cb -0.02 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.75 2bjh s HIS 208 CO -0.00 -0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.28 2bjh n GLY 209 N 3.39 2.76 4.73 -2.22 0.00 -1.26 -4.74 105.19 107.85 2bjh n GLY 209 Ca -0.18 -2.13 0.04 0.00 0.00 0.00 0.00 46.02 43.76 2bjh n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjh n GLY 210 N 5.00 -1.65 3.65 -0.02 0.00 -1.26 -4.78 105.19 106.13 2bjh n GLY 210 Ca 0.00 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 2bjh n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bjh s VAL 211 N -0.63 4.33 0.11 1.61 0.11 -1.18 -4.71 120.40 120.05 2bjh s VAL 211 Ca 0.00 -0.23 -0.26 0.00 -2.93 0.00 0.00 61.98 58.56 2bjh s VAL 211 Cb 0.00 -2.85 -0.07 0.00 -1.53 0.00 0.00 36.38 31.93 2bjh s VAL 211 CO 0.00 0.57 0.81 -0.70 -3.33 0.00 0.00 175.10 172.45 2bjh s GLU 212 N -0.51 4.57 -0.47 1.54 2.12 0.57 -2.06 118.70 124.46 2bjh s GLU 212 Ca 0.09 1.18 0.04 0.00 0.36 0.00 0.00 54.97 56.64 2bjh s GLU 212 Cb -0.12 -3.33 0.12 0.00 0.26 0.00 0.00 34.13 31.07 2bjh s GLU 212 CO 0.02 0.38 0.21 0.71 -0.54 0.00 0.00 175.26 176.04 2bjh s TYR 213 N -0.47 3.18 -0.27 5.30 1.51 0.15 -0.13 117.35 126.62 2bjh s TYR 213 Ca 0.39 -3.05 -0.25 0.00 -1.01 0.00 0.00 57.07 53.15 2bjh s TYR 213 Cb -0.22 -2.74 0.00 0.00 -0.11 0.00 0.00 41.96 38.89 2bjh s TYR 213 CO 0.26 -0.79 0.87 -0.46 -1.11 0.00 0.00 175.55 174.31 2bjh s TRP 214 N 0.06 3.25 -0.78 2.71 -0.00 -0.39 -0.77 118.94 123.02 2bjh s TRP 214 Ca 0.16 1.07 -0.16 0.00 -0.00 0.00 0.00 56.10 57.16 2bjh s TRP 214 Cb -0.24 -3.21 0.18 0.00 -0.00 0.00 0.00 33.47 30.19 2bjh s TRP 214 CO -0.02 -0.51 0.79 0.45 -0.00 0.00 0.00 176.95 177.66 2bjh s SER 215 N 1.46 6.60 0.27 5.86 0.15 -0.22 0.01 113.70 127.84 2bjh s SER 215 Ca 0.36 -2.32 -0.19 0.00 0.70 0.00 0.00 55.95 54.50 2bjh s SER 215 Cb -0.14 -2.25 -0.09 0.00 -1.71 0.00 0.00 66.02 61.82 2bjh s SER 215 CO 0.10 -0.76 0.77 -0.69 1.20 0.00 0.00 173.24 173.86 2bjh s VAL 216 N 1.09 4.54 0.19 4.45 1.01 -0.72 -2.48 120.40 128.48 2bjh s VAL 216 Ca 0.18 1.28 -0.15 0.00 0.00 0.00 0.00 61.98 63.29 2bjh s VAL 216 Cb -0.13 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 2bjh s VAL 216 CO -0.06 0.07 0.61 -1.81 0.00 0.00 0.00 175.10 173.91 2bjh s ASP 217 N -1.84 6.85 -0.05 3.32 1.11 -1.26 -3.14 116.67 121.66 2bjh s ASP 217 Ca 0.48 1.15 -0.30 0.00 0.18 0.00 0.00 52.55 54.06 2bjh s ASP 217 Cb -0.15 -2.32 -0.05 0.00 1.07 0.00 0.00 42.92 41.47 2bjh s ASP 217 CO 0.20 0.04 1.62 -2.84 1.18 0.00 0.00 175.17 175.37 2bjh s PRO 218 N -2.17 4.19 0.06 8.23 0.02 -1.26 -5.08 135.00 139.00 2bjh s PRO 218 Ca 0.42 2.16 -0.36 0.00 0.02 0.00 0.00 61.00 63.23 2bjh s PRO 218 Cb -0.14 -3.94 -0.16 0.00 0.02 0.00 0.00 34.50 30.28 2bjh s PRO 218 CO 0.20 -0.82 1.44 2.48 -0.33 0.00 0.00 177.00 179.96 2bjh n TYR 219 N 6.95 1.74 -3.57 6.54 0.18 -1.19 -4.67 117.16 123.15 2bjh n TYR 219 Ca 0.17 0.54 -0.09 0.00 1.88 0.00 0.00 57.90 60.40 2bjh n TYR 219 Cb 0.43 -2.40 -0.04 0.00 -0.38 0.00 0.00 39.34 36.95 2bjh n TYR 219 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2bjh s SER 220 N 0.94 -0.31 0.40 9.48 1.04 -1.26 -4.94 113.70 119.06 2bjh s SER 220 Ca 0.85 0.22 0.13 0.00 0.48 0.00 0.00 55.95 57.63 2bjh s SER 220 Cb -0.90 0.28 0.97 0.00 0.10 0.00 0.00 66.02 66.47 2bjh s SER 220 CO 0.47 -0.38 1.91 0.00 0.98 0.00 0.00 173.24 176.22 2bjh h ALA 221 N 2.30 2.01 -0.28 5.32 0.00 -1.91 0.44 119.26 127.14 2bjh h ALA 221 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2bjh h ALA 221 Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2bjh h ALA 221 CO 0.29 -0.21 -0.41 0.37 0.00 0.00 0.00 179.25 179.29 2bjh h GLN 222 N 0.51 0.69 -1.16 0.00 4.15 -1.94 -0.41 115.11 116.95 2bjh h GLN 222 Ca 0.38 -0.36 -0.47 0.00 0.77 0.00 0.00 58.65 58.97 2bjh h GLN 222 Cb 0.76 0.01 -0.23 0.00 0.21 0.00 0.00 27.48 28.24 2bjh h GLN 222 CO -0.14 0.97 0.61 0.09 -1.93 0.00 0.00 178.83 178.44 2bjh n ASN 223 N -4.03 5.93 -3.92 -0.69 3.02 0.14 -3.17 115.26 112.55 2bjh n ASN 223 Ca -0.02 -3.38 -0.28 0.00 -0.03 0.00 0.00 54.58 50.87 2bjh n ASN 223 Cb 0.54 -0.93 -0.16 0.00 -0.61 0.00 0.00 39.78 38.61 2bjh n ASN 223 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2bjh s THR 224 N -3.27 1.20 0.42 3.41 2.01 -0.57 -1.75 115.64 117.09 2bjh s THR 224 Ca 0.47 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 61.83 2bjh s THR 224 Cb 0.38 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 2bjh s THR 224 CO 0.02 0.22 0.71 -0.36 -0.69 0.00 0.00 174.62 174.52 2bjh s PHE 225 N 1.61 3.53 -0.24 4.92 0.40 0.10 -0.83 117.98 127.47 2bjh s PHE 225 Ca 0.02 0.72 -0.02 0.00 -0.60 0.00 0.00 56.93 57.05 2bjh s PHE 225 Cb -0.14 -2.21 0.02 0.00 0.51 0.00 0.00 43.02 41.20 2bjh s PHE 225 CO -0.08 -0.12 -0.07 0.08 0.70 0.00 0.00 175.22 175.72 2bjh s VAL 226 N -2.54 2.84 -0.39 -0.44 1.01 0.60 -1.26 120.40 120.22 2bjh s VAL 226 Ca 0.46 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2bjh s VAL 226 Cb -0.10 -2.42 0.11 0.00 0.00 0.00 0.00 36.38 33.96 2bjh s VAL 226 CO 0.40 0.23 0.18 0.00 0.00 0.00 0.00 175.10 175.91 2bjh s THR 228 N 1.12 2.97 0.11 0.00 -4.23 -0.58 -0.31 115.64 114.72 2bjh s THR 228 Ca 0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 2bjh s THR 228 Cb -0.22 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2bjh s THR 228 CO -0.04 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 2bjh n GLY 229 N -2.82 -1.98 0.37 3.99 0.00 -1.26 -4.61 105.19 98.88 2bjh n GLY 229 Ca 0.06 -1.34 0.05 0.00 0.00 0.00 0.00 46.02 44.79 2bjh n GLY 229 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bjh n ASP 230 N -1.96 1.22 -4.82 1.61 4.64 -1.26 -4.79 116.55 111.18 2bjh n ASP 230 Ca 0.00 -2.60 -0.31 0.00 -1.38 0.00 0.00 54.79 50.50 2bjh n ASP 230 Cb 0.21 -0.33 0.05 0.00 -1.04 0.00 0.00 41.12 40.02 2bjh n ASP 230 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 2bjh s GLU 231 N -1.49 2.83 -0.14 -0.67 -1.05 -1.26 -4.90 118.70 112.02 2bjh s GLU 231 Ca 0.19 0.86 -0.34 0.00 -0.15 0.00 0.00 54.97 55.52 2bjh s GLU 231 Cb 0.17 -1.99 -0.11 0.00 -0.44 0.00 0.00 34.13 31.76 2bjh s GLU 231 CO -0.00 -1.15 1.93 0.28 0.95 0.00 0.00 175.26 177.27 2bjh n VAL 232 N -3.15 0.51 0.00 1.83 0.31 -1.26 -4.86 118.33 111.72 2bjh n VAL 232 Ca 0.07 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2bjh n VAL 232 Cb 0.54 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 2bjh n VAL 232 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bjh n GLN 233 N 6.90 0.00 0.00 5.55 10.64 -1.26 -4.86 117.38 134.35 2bjh n GLN 233 Ca 0.25 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.42 2bjh n GLN 233 Cb 0.29 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.67 2bjh n GLN 233 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2bjh h GLU 236 N -0.89 0.52 0.00 0.00 4.81 -1.85 0.29 114.58 117.46 2bjh h GLU 236 Ca -0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2bjh h GLU 236 Cb 0.80 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2bjh h GLU 236 CO -0.10 0.35 0.00 0.00 -0.73 0.00 0.00 179.01 178.53 2bjh h ALA 237 N 1.68 1.00 0.00 2.92 0.00 -1.22 -2.81 119.26 120.83 2bjh h ALA 237 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 2bjh h ALA 237 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2bjh h ALA 237 CO -0.39 0.00 0.00 1.96 0.00 0.00 0.00 179.25 180.82 2bjh h GLN 238 N 0.00 0.00 -0.86 0.00 1.08 -0.11 -3.47 115.11 111.74 2bjh h GLN 238 Ca 0.00 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.92 2bjh h GLN 238 Cb 0.45 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.79 2bjh h GLN 238 CO 0.00 0.00 -0.27 0.41 -0.95 0.00 0.00 178.83 178.02 2bjh n GLY 239 N 0.41 1.18 3.57 3.46 0.00 -1.06 -4.95 105.19 107.80 2bjh n GLY 239 Ca 0.03 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2bjh n GLY 239 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bjh s GLY 240 N -2.78 1.57 0.00 -0.02 0.00 -1.25 -5.02 107.32 99.82 2bjh s GLY 240 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.60 2bjh s GLY 240 CO 0.00 0.53 0.00 -0.18 0.00 0.00 0.00 173.10 173.45 2bjh n GLN 241 N -4.60 0.00 0.00 2.90 -0.06 -1.26 -4.55 117.38 109.80 2bjh n GLN 241 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 2bjh n GLN 241 Cb 0.55 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.73 2bjh n GLN 241 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2bjh n GLY 242 N 5.00 1.04 3.71 1.69 0.00 -1.26 -3.18 105.19 112.18 2bjh n GLY 242 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2bjh n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bjh s VAL 243 N 2.49 4.31 0.27 1.61 1.01 -1.26 -2.70 120.40 126.13 2bjh s VAL 243 Ca 0.00 1.66 -0.07 0.00 0.00 0.00 0.00 61.98 63.57 2bjh s VAL 243 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 2bjh s VAL 243 CO 0.00 0.13 0.41 0.54 0.00 0.00 0.00 175.10 176.18 2bjh s ASN 244 N 1.04 0.25 0.54 3.32 6.03 -1.26 -4.99 114.94 119.87 2bjh s ASN 244 Ca 0.56 -1.18 0.30 0.00 -1.03 0.00 0.00 52.86 51.51 2bjh s ASN 244 Cb -0.27 0.57 1.47 0.00 -3.03 0.00 0.00 41.25 39.99 2bjh s ASN 244 CO 0.29 -1.13 1.91 0.44 -2.03 0.00 0.00 177.10 176.58 2bjh h ASP 245 N 2.28 0.00 0.02 3.54 3.45 -1.96 0.48 116.42 124.23 2bjh h ASP 245 Ca -0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.17 2bjh h ASP 245 Cb 1.25 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 2bjh h ASP 245 CO 0.40 0.00 -0.00 0.00 -1.57 0.00 0.00 179.24 178.07 2bjh n ALA 246 N -2.70 2.66 -0.13 3.45 0.00 -1.26 -3.66 120.51 118.87 2bjh n ALA 246 Ca 0.17 -0.26 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 2bjh n ALA 246 Cb 0.90 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 2bjh n ALA 246 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2bjh n HIS 247 N -0.74 0.06 0.54 0.00 -0.00 0.17 -4.28 115.22 110.96 2bjh n HIS 247 Ca 0.22 0.02 0.08 0.00 -0.00 0.00 0.00 57.72 58.04 2bjh n HIS 247 Cb 0.17 -1.01 0.35 0.00 -0.00 0.00 0.00 29.99 29.50 2bjh n HIS 247 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2bjh n THR 248 N -3.77 0.90 -3.78 3.57 -2.24 -1.11 -4.62 114.28 103.23 2bjh n THR 248 Ca -0.50 0.22 -0.28 0.00 -2.27 0.00 0.00 64.05 61.23 2bjh n THR 248 Cb 0.94 -0.96 -0.16 0.00 -2.10 0.00 0.00 70.33 68.04 2bjh n THR 248 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bjh s THR 249 N -3.01 0.72 -0.20 4.28 2.01 -1.24 -2.06 115.64 116.14 2bjh s THR 249 Ca 0.08 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 2bjh s THR 249 Cb 0.10 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 2bjh s THR 249 CO 0.30 -0.17 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.68 2bjh s TYR 250 N 1.77 2.93 -1.64 4.92 1.51 -0.83 -4.57 117.35 121.43 2bjh s TYR 250 Ca -0.02 -0.90 -0.01 0.00 -1.01 0.00 0.00 57.07 55.14 2bjh s TYR 250 Cb -0.17 -2.04 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 2bjh s TYR 250 CO -0.08 -0.48 0.10 1.19 -1.11 0.00 0.00 175.55 175.18 2bjh n PHE 251 N 4.49 -1.09 -1.51 2.71 3.01 -1.26 -1.85 117.46 121.96 2bjh n PHE 251 Ca -0.18 0.09 -0.01 0.00 1.01 0.00 0.00 57.45 58.36 2bjh n PHE 251 Cb 0.51 -3.89 -0.00 0.00 -0.01 0.00 0.00 39.48 36.09 2bjh n PHE 251 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bjh n GLY 252 N -1.10 0.39 2.78 1.37 0.00 -1.26 -5.04 105.19 102.33 2bjh n GLY 252 Ca -0.21 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 2bjh n GLY 252 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bjh s MET 253 N -3.04 0.88 0.41 1.61 -1.94 -0.77 -4.90 119.30 111.56 2bjh s MET 253 Ca 0.00 -0.55 -0.11 0.00 -1.71 0.00 0.00 55.69 53.32 2bjh s MET 253 Cb 0.00 -2.21 -0.07 0.00 2.01 0.00 0.00 34.83 34.57 2bjh s MET 253 CO 0.00 -0.63 0.79 0.99 -0.01 0.00 0.00 175.02 176.17 2bjh s THR 254 N 1.75 4.76 0.01 2.05 2.01 -1.25 -1.97 115.64 123.00 2bjh s THR 254 Ca -0.02 0.69 -0.24 0.00 0.31 0.00 0.00 61.69 62.43 2bjh s THR 254 Cb -0.17 -3.73 -0.13 0.00 0.01 0.00 0.00 72.50 68.47 2bjh s THR 254 CO -0.07 -0.53 1.07 0.28 -0.69 0.00 0.00 174.62 174.68 2bjh h SER 255 N 1.25 -0.74 0.00 3.53 0.02 -1.68 -3.41 113.55 112.52 2bjh h SER 255 Ca -0.47 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2bjh h SER 255 Cb 1.19 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.92 2bjh h SER 255 CO 0.64 -0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 2bjh n GLY 256 N -0.61 0.00 2.46 -3.77 0.00 -1.26 -4.71 105.19 97.30 2bjh n GLY 256 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 2bjh n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjh n ALA 257 N -1.46 -0.80 -3.72 4.61 0.00 -1.26 -4.69 120.51 113.19 2bjh n ALA 257 Ca 0.00 -1.13 -0.31 0.00 0.00 0.00 0.00 53.44 52.00 2bjh n ALA 257 Cb 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 19.45 19.27 2bjh n ALA 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bjh n THR 259 N 4.19 0.00 0.00 0.00 -2.24 -1.26 -5.11 114.28 109.86 2bjh n THR 259 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2bjh n THR 259 Cb 0.51 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 2bjh n THR 259 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83