#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1u s LYS 3 N 0.00 3.58 1.14 4.33 1.02 -1.26 -5.09 119.74 123.46 2x1u s LYS 3 Ca 0.00 -0.15 -0.17 0.00 0.02 0.00 0.00 55.97 55.67 2x1u s LYS 3 Cb 0.00 -2.94 0.26 0.00 -0.52 0.00 0.00 37.83 34.63 2x1u s LYS 3 CO 0.00 0.53 1.09 -1.25 -0.92 0.00 0.00 175.35 174.81 2x1u s PRO 4 N -2.44 -0.72 0.11 -1.68 0.04 -1.26 -4.91 135.00 124.14 2x1u s PRO 4 Ca 0.37 0.19 -0.32 0.00 0.04 0.00 0.00 61.00 61.27 2x1u s PRO 4 Cb -0.13 -1.63 -0.12 0.00 0.04 0.00 0.00 34.50 32.66 2x1u s PRO 4 CO 0.24 -3.43 1.77 0.94 0.04 0.00 0.00 177.00 176.56 2x1u n GLN 5 N -4.61 2.55 -1.36 4.56 7.27 -1.26 -4.96 117.38 119.57 2x1u n GLN 5 Ca 0.10 0.93 -0.31 0.00 0.07 0.00 0.00 57.00 57.78 2x1u n GLN 5 Cb 0.58 -2.78 0.08 0.00 2.41 0.00 0.00 30.24 30.53 2x1u n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2x1u s PRO 6 N 2.36 2.45 -0.02 3.69 0.04 -1.26 -4.87 135.00 137.38 2x1u s PRO 6 Ca 0.82 1.13 0.05 0.00 0.04 0.00 0.00 61.00 63.04 2x1u s PRO 6 Cb -0.56 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 2x1u s PRO 6 CO 0.39 -1.49 -0.16 0.42 0.04 0.00 0.00 177.00 176.20 2x1u s ILE 7 N -2.91 1.31 -0.17 0.56 1.01 -0.76 -1.47 121.20 118.77 2x1u s ILE 7 Ca 0.61 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2x1u s ILE 7 Cb -0.17 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.21 2x1u s ILE 7 CO 0.55 0.38 -0.17 0.00 0.00 0.00 0.00 174.94 175.70 2x1u s ALA 8 N -0.19 2.43 -0.03 9.38 0.00 -0.37 -1.39 121.76 131.59 2x1u s ALA 8 Ca 0.02 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.87 2x1u s ALA 8 Cb -0.08 -1.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 2x1u s ALA 8 CO 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 175.76 175.40 2x1u s ALA 9 N 1.13 1.18 -0.19 0.00 0.00 -0.02 -0.97 121.76 122.89 2x1u s ALA 9 Ca 0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 2x1u s ALA 9 Cb -0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 2x1u s ALA 9 CO -0.07 0.23 -0.07 0.00 0.00 0.00 0.00 175.76 175.85 2x1u s ALA 10 N 0.00 2.78 0.03 0.00 0.00 -0.29 -0.68 121.76 123.60 2x1u s ALA 10 Ca -0.01 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.71 2x1u s ALA 10 Cb -0.09 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.42 2x1u s ALA 10 CO 0.01 -0.18 0.54 0.54 0.00 0.00 0.00 175.76 176.66 2x1u s ASN 11 N 1.06 6.97 0.18 0.00 4.22 0.11 -0.60 114.94 126.88 2x1u s ASN 11 Ca 0.00 1.15 -0.29 0.00 -2.14 0.00 0.00 52.86 51.58 2x1u s ASN 11 Cb -0.15 -2.33 -0.17 0.00 1.28 0.00 0.00 41.25 39.88 2x1u s ASN 11 CO -0.01 0.22 0.58 1.87 -2.04 0.00 0.00 177.10 177.72 2x1u n TRP 12 N 2.13 -0.37 -1.31 1.54 -0.00 -0.55 -2.64 117.44 116.23 2x1u n TRP 12 Ca -0.10 0.98 -0.56 0.00 -0.00 0.00 0.00 57.50 57.82 2x1u n TRP 12 Cb 0.51 -1.97 -0.11 0.00 -0.00 0.00 0.00 31.31 29.74 2x1u n TRP 12 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2x1u n SER 20 N 1.94 0.94 0.09 5.87 2.88 -1.26 -4.83 113.62 119.26 2x1u n SER 20 Ca 0.18 0.56 0.04 0.00 -1.33 0.00 0.00 58.87 58.32 2x1u n SER 20 Cb 0.23 -0.97 0.44 0.00 -0.75 0.00 0.00 64.21 63.16 2x1u n SER 20 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2x1u h LEU 21 N 10.03 0.29 -0.45 2.46 5.85 -1.98 -2.04 115.31 129.47 2x1u h LEU 21 Ca -0.12 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 2x1u h LEU 21 Cb 1.39 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2x1u h LEU 21 CO 1.11 0.32 -0.11 -1.28 -0.34 0.00 0.00 178.44 178.14 2x1u h SER 22 N 0.32 0.87 0.33 1.25 0.87 -2.03 -0.22 113.55 114.94 2x1u h SER 22 Ca 0.08 -0.36 -0.10 0.00 -1.23 0.00 0.00 61.79 60.18 2x1u h SER 22 Cb 0.16 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2x1u h SER 22 CO -0.00 1.03 -0.41 -0.33 -0.53 0.00 0.00 176.83 176.59 2x1u h GLU 23 N 0.69 0.12 -0.24 2.24 5.08 -1.94 -2.10 114.58 118.43 2x1u h GLU 23 Ca 0.11 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 2x1u h GLU 23 Cb 0.65 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2x1u h GLU 23 CO 0.04 0.52 -0.20 1.25 -1.00 0.00 0.00 179.01 179.62 2x1u h LEU 24 N 0.10 0.60 -0.89 1.33 5.85 -0.87 -1.19 115.31 120.25 2x1u h LEU 24 Ca 0.01 -0.46 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 2x1u h LEU 24 Cb 0.78 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2x1u h LEU 24 CO 0.06 0.93 -0.01 0.40 -0.34 0.00 0.00 178.44 179.48 2x1u h ILE 25 N 0.28 1.25 -0.46 4.05 2.04 -0.97 -1.99 117.51 121.70 2x1u h ILE 25 Ca 0.04 -1.03 0.06 0.00 1.00 0.00 0.00 64.86 64.93 2x1u h ILE 25 Cb 0.75 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 2x1u h ILE 25 CO 0.05 0.36 0.16 0.44 0.00 0.00 0.00 178.15 179.17 2x1u h ASP 26 N 0.75 0.17 0.08 1.72 3.32 -1.17 0.10 116.42 121.39 2x1u h ASP 26 Ca 0.14 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2x1u h ASP 26 Cb 0.47 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2x1u h ASP 26 CO 0.02 0.13 -0.08 0.25 -1.72 0.00 0.00 179.24 177.84 2x1u h LEU 27 N 0.34 -0.20 -0.17 1.55 5.85 -0.78 -2.35 115.31 119.54 2x1u h LEU 27 Ca 0.22 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2x1u h LEU 27 Cb 0.22 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2x1u h LEU 27 CO -0.22 -0.12 0.00 -0.26 -0.34 0.00 0.00 178.44 177.50 2x1u h PHE 28 N -0.17 0.00 -0.45 1.25 0.04 -1.13 -2.42 116.94 114.06 2x1u h PHE 28 Ca 0.00 0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.88 2x1u h PHE 28 Cb 0.17 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 2x1u h PHE 28 CO -0.11 -0.02 0.31 -0.91 -0.60 0.00 0.00 178.31 176.99 2x1u h ASN 29 N 0.06 0.16 0.13 2.17 2.35 -0.83 -1.50 115.58 118.12 2x1u h ASN 29 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2x1u h ASN 29 Cb 0.09 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2x1u h ASN 29 CO -0.13 0.10 -0.09 -1.54 -1.65 0.00 0.00 177.43 174.11 2x1u n SER 30 N -4.45 1.01 -4.61 5.81 3.41 -0.90 -4.82 113.62 109.07 2x1u n SER 30 Ca 0.07 -1.09 -0.41 0.00 -0.26 0.00 0.00 58.87 57.18 2x1u n SER 30 Cb 0.40 0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 2x1u n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2x1u s THR 31 N -2.24 4.98 -0.08 6.66 2.01 -0.57 -5.04 115.64 121.37 2x1u s THR 31 Ca 0.33 0.93 -0.30 0.00 0.31 0.00 0.00 61.69 62.97 2x1u s THR 31 Cb 0.20 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 2x1u s THR 31 CO 0.42 -0.05 1.10 -0.44 -0.69 0.00 0.00 174.62 174.96 2x1u s SER 32 N 1.57 7.16 -0.33 3.53 0.01 -1.26 -5.02 113.70 119.37 2x1u s SER 32 Ca 0.25 1.67 -0.03 0.00 1.31 0.00 0.00 55.95 59.15 2x1u s SER 32 Cb -0.15 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.58 2x1u s SER 32 CO 0.10 -0.50 0.06 -0.63 0.41 0.00 0.00 173.24 172.68 2x1u s ILE 33 N 2.05 3.27 -0.47 1.44 1.01 -1.26 -4.99 121.20 122.24 2x1u s ILE 33 Ca 0.52 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2x1u s ILE 33 Cb -0.21 -2.93 0.50 0.00 0.01 0.00 0.00 42.46 39.83 2x1u s ILE 33 CO 0.20 -0.22 1.90 0.59 0.00 0.00 0.00 174.94 177.41 2x1u n ASN 34 N 4.67 5.20 -3.85 3.58 3.02 -1.26 -4.88 115.26 121.75 2x1u n ASN 34 Ca -0.11 -3.48 -0.09 0.00 -0.03 0.00 0.00 54.58 50.87 2x1u n ASN 34 Cb 0.43 -0.88 -0.04 0.00 -0.61 0.00 0.00 39.78 38.69 2x1u n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2x1u s HIS 35 N -3.05 0.02 -0.45 3.10 -3.43 -1.26 -5.12 115.29 105.10 2x1u s HIS 35 Ca 0.52 -0.40 -0.29 0.00 -0.80 0.00 0.00 55.06 54.10 2x1u s HIS 35 Cb 0.43 0.41 0.03 0.00 -1.43 0.00 0.00 32.58 32.01 2x1u s HIS 35 CO 0.05 -1.03 1.17 0.34 -2.00 0.00 0.00 174.74 173.28 2x1u s ASP 36 N -2.93 6.62 -0.19 7.38 2.15 -1.26 -4.98 116.67 123.46 2x1u s ASP 36 Ca 0.14 0.59 -0.14 0.00 0.43 0.00 0.00 52.55 53.57 2x1u s ASP 36 Cb -0.02 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 40.11 2x1u s ASP 36 CO 0.04 -1.24 0.48 0.54 -0.17 0.00 0.00 175.17 174.81 2x1u s VAL 37 N 4.52 -0.01 -0.28 1.11 0.11 -1.26 -4.28 120.40 120.31 2x1u s VAL 37 Ca 0.50 0.04 -0.25 0.00 -2.93 0.00 0.00 61.98 59.34 2x1u s VAL 37 Cb -0.09 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 2x1u s VAL 37 CO 0.30 0.02 0.85 -1.58 -3.33 0.00 0.00 175.10 171.36 2x1u s GLN 38 N 0.90 4.08 0.03 1.54 2.00 -0.54 -4.92 119.66 122.74 2x1u s GLN 38 Ca -0.05 0.82 -0.03 0.00 -2.00 0.00 0.00 55.36 54.10 2x1u s GLN 38 Cb -0.06 -3.69 -0.04 0.00 0.80 0.00 0.00 33.01 30.02 2x1u s GLN 38 CO -0.07 -0.64 0.22 0.00 -0.50 0.00 0.00 175.29 174.29 2x1u s VAL 40 N -1.40 0.06 -0.23 0.00 1.01 -0.14 -1.01 120.40 118.69 2x1u s VAL 40 Ca 0.31 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.39 2x1u s VAL 40 Cb -0.13 -0.13 0.04 0.00 0.00 0.00 0.00 36.38 36.16 2x1u s VAL 40 CO 0.22 0.08 -0.13 -0.69 0.00 0.00 0.00 175.10 174.58 2x1u s VAL 41 N 0.68 2.31 -0.12 2.92 1.01 -0.38 -1.13 120.40 125.68 2x1u s VAL 41 Ca -0.06 -1.26 -0.07 0.00 0.00 0.00 0.00 61.98 60.59 2x1u s VAL 41 Cb -0.09 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2x1u s VAL 41 CO -0.02 0.21 0.14 0.00 0.00 0.00 0.00 175.10 175.44 2x1u s ALA 42 N 1.22 3.87 0.10 5.51 0.00 0.23 -1.16 121.76 131.54 2x1u s ALA 42 Ca -0.02 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 2x1u s ALA 42 Cb -0.17 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 2x1u s ALA 42 CO -0.08 0.62 0.19 -1.54 0.00 0.00 0.00 175.76 174.96 2x1u s SER 43 N -1.04 0.14 1.00 0.00 1.04 -0.76 -1.48 113.70 112.59 2x1u s SER 43 Ca 0.15 -0.75 -0.12 0.00 0.48 0.00 0.00 55.95 55.72 2x1u s SER 43 Cb -0.12 0.35 0.19 0.00 0.10 0.00 0.00 66.02 66.54 2x1u s SER 43 CO 0.04 -0.76 1.08 0.42 0.98 0.00 0.00 173.24 175.01 2x1u s THR 44 N -3.90 2.28 0.21 2.02 -4.23 -1.26 -3.88 115.64 106.89 2x1u s THR 44 Ca 0.09 0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.60 2x1u s THR 44 Cb 0.05 -2.32 0.15 0.00 1.34 0.00 0.00 72.50 71.73 2x1u s THR 44 CO -0.08 -0.12 1.78 0.15 -0.54 0.00 0.00 174.62 175.81 2x1u h PHE 45 N -2.01 0.59 0.00 3.99 3.57 -1.97 -2.43 116.94 118.67 2x1u h PHE 45 Ca -0.52 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2x1u h PHE 45 Cb 1.30 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2x1u h PHE 45 CO 0.39 0.23 0.00 -0.39 -2.23 0.00 0.00 178.31 176.31 2x1u h VAL 46 N 0.58 0.00 -0.01 1.41 -1.51 -2.04 -2.52 116.25 112.16 2x1u h VAL 46 Ca 0.32 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 2x1u h VAL 46 Cb 0.31 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 2x1u h VAL 46 CO -0.24 0.00 -0.40 1.41 -1.23 0.00 0.00 177.57 177.11 2x1u n HIS 47 N -3.04 0.00 -0.15 5.19 8.25 -0.93 -4.62 115.22 119.92 2x1u n HIS 47 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 2x1u n HIS 47 Cb 0.20 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 2x1u n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2x1u h LEU 48 N 2.13 0.64 -0.56 2.41 3.38 -1.28 -1.37 115.31 120.66 2x1u h LEU 48 Ca 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2x1u h LEU 48 Cb 0.65 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2x1u h LEU 48 CO 0.00 0.70 0.33 0.00 0.09 0.00 0.00 178.44 179.56 2x1u h ALA 49 N 0.96 0.72 -0.24 1.53 0.00 -1.82 -0.72 119.26 119.69 2x1u h ALA 49 Ca 0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2x1u h ALA 49 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2x1u h ALA 49 CO 0.00 0.21 -0.10 0.52 0.00 0.00 0.00 179.25 179.89 2x1u h MET 50 N 0.76 0.48 -0.61 0.00 2.86 -1.83 -2.37 114.93 114.22 2x1u h MET 50 Ca 0.20 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2x1u h MET 50 Cb 0.00 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 2x1u h MET 50 CO -0.04 0.74 0.20 1.15 1.06 0.00 0.00 176.91 180.02 2x1u h THR 51 N 0.20 1.23 -0.20 2.22 2.02 -1.08 -0.01 112.91 117.29 2x1u h THR 51 Ca 0.05 -0.77 -0.12 0.00 0.77 0.00 0.00 66.41 66.35 2x1u h THR 51 Cb 0.59 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2x1u h THR 51 CO 0.03 0.30 -0.37 0.50 0.37 0.00 0.00 175.52 176.34 2x1u h LYS 52 N 0.89 0.43 -0.03 6.66 3.64 -1.11 0.26 116.57 127.31 2x1u h LYS 52 Ca 0.20 -0.20 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 2x1u h LYS 52 Cb 0.24 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2x1u h LYS 52 CO -0.01 0.74 -0.63 1.49 -2.27 0.00 0.00 179.45 178.77 2x1u h GLU 53 N 0.36 0.11 0.02 1.90 4.57 -0.85 -3.38 114.58 117.31 2x1u h GLU 53 Ca 0.04 -0.08 -0.38 0.00 -1.18 0.00 0.00 59.36 57.75 2x1u h GLU 53 Cb 0.82 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.37 2x1u h GLU 53 CO 0.07 0.71 -2.38 0.54 -1.18 0.00 0.00 179.01 176.76 2x1u n ARG 54 N -3.82 0.67 -2.71 1.92 5.12 -0.08 -4.84 116.66 112.93 2x1u n ARG 54 Ca -0.02 0.15 -0.42 0.00 -1.93 0.00 0.00 57.85 55.62 2x1u n ARG 54 Cb 0.63 -1.55 -0.03 0.00 -1.16 0.00 0.00 32.46 30.35 2x1u n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2x1u s LEU 55 N -6.43 3.77 0.00 0.55 2.96 0.88 -4.86 118.68 115.55 2x1u s LEU 55 Ca -0.29 -0.20 0.11 0.00 -0.22 0.00 0.00 54.13 53.53 2x1u s LEU 55 Cb 0.08 -2.93 -0.09 0.00 0.50 0.00 0.00 46.19 43.75 2x1u s LEU 55 CO 0.66 -1.39 0.52 -1.54 -1.32 0.00 0.00 176.35 173.28 2x1u n SER 56 N 8.04 0.71 -4.68 3.68 3.41 -1.26 -4.85 113.62 118.67 2x1u n SER 56 Ca 0.04 -0.85 -0.45 0.00 -0.26 0.00 0.00 58.87 57.35 2x1u n SER 56 Cb 0.48 0.87 -0.04 0.00 -0.26 0.00 0.00 64.21 65.26 2x1u n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2x1u n HIS 57 N -1.00 2.43 0.65 7.33 -0.00 -1.26 -4.86 115.22 118.51 2x1u n HIS 57 Ca 0.03 -0.13 0.09 0.00 -0.00 0.00 0.00 57.72 57.71 2x1u n HIS 57 Cb 0.19 -2.71 0.41 0.00 -0.00 0.00 0.00 29.99 27.87 2x1u n HIS 57 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2x1u n PRO 58 N 6.51 0.00 -0.03 1.57 -0.04 -1.26 -1.57 135.00 140.17 2x1u n PRO 58 Ca 0.21 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 2x1u n PRO 58 Cb 0.34 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.81 2x1u n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2x1u n LYS 59 N -1.51 1.54 -4.30 0.54 5.02 -1.26 -4.85 118.16 113.34 2x1u n LYS 59 Ca 0.05 -0.80 -0.34 0.00 -2.02 0.00 0.00 58.31 55.20 2x1u n LYS 59 Cb 0.22 -1.42 -0.09 0.00 -0.02 0.00 0.00 35.03 33.72 2x1u n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x1u s PHE 60 N -1.91 3.15 0.16 2.13 0.40 -0.61 -0.48 117.98 120.82 2x1u s PHE 60 Ca 0.35 0.16 0.09 0.00 -0.60 0.00 0.00 56.93 56.93 2x1u s PHE 60 Cb 0.19 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2x1u s PHE 60 CO 0.29 0.48 -0.19 0.14 0.70 0.00 0.00 175.22 176.64 2x1u s VAL 61 N -1.01 1.87 0.18 -0.44 -7.23 -0.18 -4.90 120.40 108.70 2x1u s VAL 61 Ca 0.17 -1.88 -0.15 0.00 -1.81 0.00 0.00 61.98 58.31 2x1u s VAL 61 Cb -0.11 -1.84 -0.07 0.00 0.56 0.00 0.00 36.38 34.91 2x1u s VAL 61 CO 0.07 -0.25 0.60 -0.51 -0.31 0.00 0.00 175.10 174.69 2x1u s ILE 62 N -1.87 4.79 0.03 -0.62 1.10 -1.26 -1.25 121.20 122.11 2x1u s ILE 62 Ca 0.15 0.91 0.04 0.00 -0.51 0.00 0.00 60.65 61.24 2x1u s ILE 62 Cb -0.07 -3.75 -0.02 0.00 0.15 0.00 0.00 42.46 38.78 2x1u s ILE 62 CO 0.07 0.19 -0.12 0.00 -2.11 0.00 0.00 174.94 172.96 2x1u s ALA 63 N -1.53 1.03 0.82 1.50 0.00 -0.30 -3.87 121.76 119.39 2x1u s ALA 63 Ca 0.41 -0.71 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 2x1u s ALA 63 Cb -0.15 -0.17 0.12 0.00 0.00 0.00 0.00 23.12 22.92 2x1u s ALA 63 CO 0.20 0.20 1.15 0.00 0.00 0.00 0.00 175.76 177.31 2x1u s ALA 64 N -0.72 2.80 -0.04 0.00 0.00 -0.40 -1.84 121.76 121.56 2x1u s ALA 64 Ca 0.01 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.93 2x1u s ALA 64 Cb -0.07 -2.66 0.01 0.00 0.00 0.00 0.00 23.12 20.40 2x1u s ALA 64 CO 0.01 -1.80 -0.10 -0.65 0.00 0.00 0.00 175.76 173.22 2x1u s GLN 65 N -5.53 1.18 0.00 0.00 -0.21 -1.25 -0.95 119.66 112.90 2x1u s GLN 65 Ca 0.66 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.73 2x1u s GLN 65 Cb -0.08 -1.06 0.00 0.00 1.00 0.00 0.00 33.01 32.87 2x1u s GLN 65 CO 0.48 0.06 0.00 0.09 -2.12 0.00 0.00 175.29 173.81 2x1u n ASN 66 N 3.56 0.00 -4.68 5.90 5.03 -0.59 -4.94 115.26 119.54 2x1u n ASN 66 Ca -0.21 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 54.79 2x1u n ASN 66 Cb 0.53 -1.16 -0.04 0.00 -1.02 0.00 0.00 39.78 38.09 2x1u n ASN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2x1u n ALA 67 N 0.82 1.55 -0.22 5.41 0.00 -1.26 -4.85 120.51 121.96 2x1u n ALA 67 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2x1u n ALA 67 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.08 2x1u n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x1u n GLY 68 N 3.47 0.53 3.72 0.00 0.00 -1.26 -4.95 105.19 106.69 2x1u n GLY 68 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2x1u n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x1u s ASN 69 N -0.28 6.92 0.19 1.61 3.84 -1.26 -4.94 114.94 121.03 2x1u s ASN 69 Ca 0.00 1.11 -0.12 0.00 0.21 0.00 0.00 52.86 54.06 2x1u s ASN 69 Cb 0.00 -2.39 0.18 0.00 -0.55 0.00 0.00 41.25 38.50 2x1u s ASN 69 CO 0.00 -0.09 1.76 0.00 -2.79 0.00 0.00 177.10 175.97 2x1u h ALA 70 N 6.76 0.65 -0.84 1.71 0.00 -1.98 -0.55 119.26 125.01 2x1u h ALA 70 Ca -0.41 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2x1u h ALA 70 Cb 1.19 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2x1u h ALA 70 CO 0.75 -0.18 0.50 -0.44 0.00 0.00 0.00 179.25 179.89 2x1u h ASP 71 N 0.40 1.02 -0.34 0.00 3.32 -1.99 -1.27 116.42 117.56 2x1u h ASP 71 Ca 0.25 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2x1u h ASP 71 Cb 0.25 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2x1u h ASP 71 CO -0.23 0.79 0.14 0.00 -1.72 0.00 0.00 179.24 178.22 2x1u h ALA 72 N 1.38 0.44 -0.34 3.45 0.00 -1.59 0.00 119.26 122.60 2x1u h ALA 72 Ca 0.30 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2x1u h ALA 72 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2x1u h ALA 72 CO -0.06 0.03 0.20 -0.07 0.00 0.00 0.00 179.25 179.35 2x1u h LEU 80 N 0.40 0.41 -0.78 0.00 3.38 -0.93 -0.24 115.31 117.55 2x1u h LEU 80 Ca 0.11 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.11 2x1u h LEU 80 Cb 0.17 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 2x1u h LEU 80 CO -0.01 0.36 0.43 0.00 0.09 0.00 0.00 178.44 179.31 2x1u h ALA 81 N 1.07 1.10 -0.40 1.53 0.00 -1.05 -0.11 119.26 121.41 2x1u h ALA 81 Ca 0.12 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2x1u h ALA 81 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2x1u h ALA 81 CO -0.02 0.06 -0.13 1.03 0.00 0.00 0.00 179.25 180.19 2x1u h SER 82 N 0.74 0.81 -0.57 0.00 0.87 -0.57 -1.41 113.55 113.42 2x1u h SER 82 Ca 0.38 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2x1u h SER 82 Cb 0.35 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 2x1u h SER 82 CO -0.25 1.01 0.31 -0.07 -0.53 0.00 0.00 176.83 177.30 2x1u h LEU 83 N 0.61 0.71 -0.53 2.23 3.38 -0.60 -1.17 115.31 119.95 2x1u h LEU 83 Ca 0.10 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2x1u h LEU 83 Cb 0.67 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2x1u h LEU 83 CO 0.05 0.60 0.11 0.50 0.09 0.00 0.00 178.44 179.78 2x1u h LYS 84 N 0.77 0.85 -0.48 1.13 3.11 -0.88 -1.25 116.57 119.82 2x1u h LYS 84 Ca 0.20 -0.21 0.02 0.00 -2.81 0.00 0.00 60.65 57.85 2x1u h LYS 84 Cb 0.04 -0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.14 2x1u h LYS 84 CO -0.03 0.82 0.32 -0.44 -2.81 0.00 0.00 179.45 177.31 2x1u h ASP 85 N 0.74 0.50 0.92 4.20 3.32 -1.07 -1.33 116.42 123.70 2x1u h ASP 85 Ca 0.16 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2x1u h ASP 85 Cb 0.36 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2x1u h ASP 85 CO 0.01 0.35 0.00 0.33 -1.72 0.00 0.00 179.24 178.21 2x1u n PHE 86 N -4.47 0.61 -0.01 4.55 7.35 -0.46 -4.87 117.46 120.16 2x1u n PHE 86 Ca 0.05 0.21 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 2x1u n PHE 86 Cb 0.11 -0.85 0.00 0.00 0.35 0.00 0.00 39.48 39.09 2x1u n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x1u n GLY 87 N 0.52 0.99 3.61 7.13 0.00 -0.50 -5.08 105.19 111.87 2x1u n GLY 87 Ca 0.04 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2x1u n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x1u s VAL 88 N -2.00 5.08 -0.79 1.61 1.01 -0.57 -4.95 120.40 119.78 2x1u s VAL 88 Ca 0.00 0.80 0.07 0.00 0.00 0.00 0.00 61.98 62.85 2x1u s VAL 88 Cb 0.00 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2x1u s VAL 88 CO 0.00 0.07 0.64 0.59 0.00 0.00 0.00 175.10 176.40 2x1u n ASN 89 N 5.54 1.36 -4.29 3.32 5.03 -1.26 -3.82 115.26 121.14 2x1u n ASN 89 Ca -0.05 -1.18 -0.21 0.00 0.87 0.00 0.00 54.58 54.01 2x1u n ASN 89 Cb 0.50 0.19 -0.12 0.00 -1.02 0.00 0.00 39.78 39.33 2x1u n ASN 89 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2x1u s TRP 90 N -0.79 1.66 -0.09 3.10 0.52 -1.25 -0.82 118.94 121.27 2x1u s TRP 90 Ca 0.07 -0.48 -0.18 0.00 0.02 0.00 0.00 56.10 55.53 2x1u s TRP 90 Cb 0.06 -0.86 0.04 0.00 -1.15 0.00 0.00 33.47 31.56 2x1u s TRP 90 CO 0.12 0.23 0.44 -1.50 0.02 0.00 0.00 176.95 176.27 2x1u s ILE 91 N -1.80 0.02 -0.15 2.03 2.07 -0.67 -1.28 121.20 121.43 2x1u s ILE 91 Ca 0.10 -0.17 -0.05 0.00 -1.41 0.00 0.00 60.65 59.12 2x1u s ILE 91 Cb -0.07 -0.69 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 2x1u s ILE 91 CO 0.05 -0.10 0.01 -0.69 -1.91 0.00 0.00 174.94 172.30 2x1u s VAL 92 N -0.57 4.31 0.06 4.00 1.01 -0.12 -1.11 120.40 127.98 2x1u s VAL 92 Ca -0.07 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2x1u s VAL 92 Cb -0.03 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2x1u s VAL 92 CO 0.04 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 174.77 2x1u s LEU 93 N 0.08 2.26 -0.05 3.92 1.43 -0.06 -1.55 118.68 124.71 2x1u s LEU 93 Ca 0.02 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2x1u s LEU 93 Cb -0.13 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.70 2x1u s LEU 93 CO 0.02 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.09 2x1u n GLY 94 N 1.38 0.48 3.64 -3.19 0.00 -1.26 -0.84 105.19 105.39 2x1u n GLY 94 Ca -0.22 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 2x1u n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2x1u n HIS 95 N -2.93 1.10 -0.35 1.61 -0.00 -1.26 -4.49 115.22 108.91 2x1u n HIS 95 Ca -0.01 0.44 -0.09 0.00 0.46 0.00 0.00 57.72 58.52 2x1u n HIS 95 Cb 0.05 -2.18 -0.08 0.00 -0.12 0.00 0.00 29.99 27.66 2x1u n HIS 95 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2x1u n SER 96 N -0.93 -0.87 0.29 0.26 3.41 -1.26 0.06 113.62 114.58 2x1u n SER 96 Ca 0.14 1.51 0.15 0.00 -0.26 0.00 0.00 58.87 60.42 2x1u n SER 96 Cb 0.47 -0.21 0.88 0.00 -0.26 0.00 0.00 64.21 65.09 2x1u n SER 96 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2x1u h GLU 97 N 0.00 0.00 -0.28 4.33 9.09 -1.97 0.10 114.58 125.85 2x1u h GLU 97 Ca 0.13 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.50 2x1u h GLU 97 Cb 0.34 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.42 2x1u h GLU 97 CO -0.77 0.04 0.00 0.00 0.05 0.00 0.00 179.01 178.33 2x1u h ARG 98 N 0.00 0.43 0.00 1.06 2.47 -0.68 -0.92 114.38 116.73 2x1u h ARG 98 Ca -0.00 -0.08 -0.05 0.00 -1.26 0.00 0.00 59.98 58.59 2x1u h ARG 98 Cb 0.14 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 2x1u h ARG 98 CO 0.01 0.46 -0.42 0.00 0.56 0.00 0.00 179.97 180.57 2x1u h ARG 99 N 0.42 0.00 0.00 0.04 3.08 -0.79 0.51 114.38 117.64 2x1u h ARG 99 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2x1u h ARG 99 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2x1u h ARG 99 CO 0.01 0.38 -0.22 0.91 -1.07 0.00 0.00 179.97 179.98 2x1u n TRP 100 N -4.63 0.24 0.01 3.04 7.02 -0.61 -2.46 117.44 120.06 2x1u n TRP 100 Ca -0.11 0.07 -0.03 0.00 -1.02 0.00 0.00 57.50 56.42 2x1u n TRP 100 Cb 0.31 -0.54 -0.01 0.00 -2.42 0.00 0.00 31.31 28.65 2x1u n TRP 100 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65 2x1u n TYR 101 N -1.72 0.00 0.25 -5.99 9.36 -0.46 -4.76 117.16 113.84 2x1u n TYR 101 Ca 0.06 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.41 2x1u n TYR 101 Cb 0.37 -0.14 0.58 0.00 -0.63 0.00 0.00 39.34 39.52 2x1u n TYR 101 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2x1u h TYR 102 N -0.26 0.00 0.00 2.98 0.05 -1.33 -3.47 116.97 114.93 2x1u h TYR 102 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2x1u h TYR 102 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2x1u h TYR 102 CO -0.11 0.13 0.00 0.41 -1.05 0.00 0.00 178.16 177.54 2x1u n GLY 103 N -0.01 0.68 3.65 3.88 0.00 -0.92 -4.99 105.19 107.48 2x1u n GLY 103 Ca -0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 2x1u n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x1u s GLU 104 N -1.67 4.09 0.86 1.61 2.02 0.13 -4.98 118.70 120.76 2x1u s GLU 104 Ca 0.00 2.19 -0.12 0.00 0.02 0.00 0.00 54.97 57.05 2x1u s GLU 104 Cb 0.00 -4.03 0.11 0.00 0.10 0.00 0.00 34.13 30.31 2x1u s GLU 104 CO 0.00 -0.96 1.16 0.95 0.02 0.00 0.00 175.26 176.43 2x1u s THR 105 N 4.40 2.00 0.33 3.63 -4.23 -1.26 -4.37 115.64 116.14 2x1u s THR 105 Ca 0.77 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.33 2x1u s THR 105 Cb -0.34 -2.88 0.30 0.00 1.34 0.00 0.00 72.50 70.92 2x1u s THR 105 CO 0.32 0.00 1.88 0.78 -0.54 0.00 0.00 174.62 177.05 2x1u h ASN 106 N -1.29 0.76 -0.21 3.99 2.35 -1.95 -1.48 115.58 117.75 2x1u h ASN 106 Ca -0.48 0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.13 2x1u h ASN 106 Cb 1.33 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2x1u h ASN 106 CO 0.63 0.42 -0.56 -0.33 -1.65 0.00 0.00 177.43 175.93 2x1u h GLU 107 N 0.82 0.75 -0.33 0.81 3.07 -1.93 -1.31 114.58 116.47 2x1u h GLU 107 Ca 0.44 -0.53 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2x1u h GLU 107 Cb 0.54 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 2x1u h GLU 107 CO -0.20 1.15 0.18 0.82 -1.40 0.00 0.00 179.01 179.56 2x1u h ILE 108 N 0.47 1.13 -0.61 3.13 2.04 -1.82 0.12 117.51 121.97 2x1u h ILE 108 Ca -0.01 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2x1u h ILE 108 Cb 1.18 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2x1u h ILE 108 CO 0.12 0.13 0.39 0.58 0.00 0.00 0.00 178.15 179.37 2x1u h VAL 109 N 0.41 1.16 -0.83 1.67 2.07 -1.30 -1.53 116.25 117.91 2x1u h VAL 109 Ca 0.12 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2x1u h VAL 109 Cb 0.04 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 2x1u h VAL 109 CO -0.02 0.16 0.48 0.00 0.02 0.00 0.00 177.57 178.21 2x1u h ALA 110 N 1.21 1.06 -0.61 1.67 0.00 -0.94 -0.74 119.26 120.91 2x1u h ALA 110 Ca 0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2x1u h ALA 110 Cb -0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 2x1u h ALA 110 CO -0.05 0.55 0.19 -0.44 0.00 0.00 0.00 179.25 179.50 2x1u h ASP 111 N 1.15 0.89 -0.75 0.00 3.32 -0.73 -1.05 116.42 119.25 2x1u h ASP 111 Ca 0.30 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2x1u h ASP 111 Cb -0.01 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 2x1u h ASP 111 CO -0.05 0.86 0.40 0.11 -1.72 0.00 0.00 179.24 178.84 2x1u h LYS 112 N 0.87 1.06 -0.30 3.56 1.57 -0.86 0.36 116.57 122.83 2x1u h LYS 112 Ca 0.20 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2x1u h LYS 112 Cb 0.29 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2x1u h LYS 112 CO -0.01 0.79 0.12 0.28 -0.57 0.00 0.00 179.45 180.07 2x1u h VAL 113 N 1.04 1.18 -0.61 0.50 2.07 -0.93 -1.51 116.25 117.99 2x1u h VAL 113 Ca 0.26 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2x1u h VAL 113 Cb 0.05 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2x1u h VAL 113 CO -0.04 0.19 0.33 0.00 0.02 0.00 0.00 177.57 178.07 2x1u h ALA 114 N 0.96 0.78 -0.65 1.67 0.00 -0.96 -1.48 119.26 119.59 2x1u h ALA 114 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2x1u h ALA 114 Cb 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2x1u h ALA 114 CO -0.01 0.30 0.37 0.00 0.00 0.00 0.00 179.25 179.91 2x1u h ALA 115 N 1.15 0.83 -0.29 0.00 0.00 -0.79 -0.98 119.26 119.18 2x1u h ALA 115 Ca 0.21 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2x1u h ALA 115 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2x1u h ALA 115 CO -0.03 0.32 -0.07 0.00 0.00 0.00 0.00 179.25 179.47 2x1u h ALA 116 N 1.19 0.41 -0.37 0.00 0.00 -1.09 -1.14 119.26 118.25 2x1u h ALA 116 Ca 0.23 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2x1u h ALA 116 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2x1u h ALA 116 CO -0.04 0.22 0.23 0.28 0.00 0.00 0.00 179.25 179.94 2x1u h VAL 117 N 0.33 1.06 -0.05 0.00 2.07 -1.11 -0.59 116.25 117.96 2x1u h VAL 117 Ca 0.08 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2x1u h VAL 117 Cb 0.55 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2x1u h VAL 117 CO 0.03 0.08 0.03 0.00 0.02 0.00 0.00 177.57 177.74 2x1u h ALA 118 N 1.15 2.05 -0.10 1.67 0.00 -1.01 -1.30 119.26 121.72 2x1u h ALA 118 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2x1u h ALA 118 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2x1u h ALA 118 CO -0.05 -0.06 0.00 0.43 0.00 0.00 0.00 179.25 179.57 2x1u n SER 119 N -4.52 0.98 0.00 0.00 7.64 -0.33 -4.90 113.62 112.49 2x1u n SER 119 Ca -0.02 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.27 2x1u n SER 119 Cb 0.14 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2x1u n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x1u n GLY 120 N 0.99 0.88 3.88 0.23 0.00 -0.49 -4.92 105.19 105.76 2x1u n GLY 120 Ca 0.15 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2x1u n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1u s PHE 121 N -2.00 3.48 0.09 1.61 0.40 -0.62 -4.94 117.98 116.00 2x1u s PHE 121 Ca 0.00 0.73 -0.29 0.00 -0.60 0.00 0.00 56.93 56.77 2x1u s PHE 121 Cb 0.00 -2.14 -0.06 0.00 0.51 0.00 0.00 43.02 41.34 2x1u s PHE 121 CO 0.00 0.38 0.92 -1.64 0.70 0.00 0.00 175.22 175.58 2x1u s MET 122 N -2.58 4.65 -0.10 0.44 -1.94 0.00 -4.41 119.30 115.37 2x1u s MET 122 Ca 0.42 1.37 0.04 0.00 -1.71 0.00 0.00 55.69 55.80 2x1u s MET 122 Cb -0.12 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.35 2x1u s MET 122 CO 0.22 0.22 -0.22 0.08 -0.01 0.00 0.00 175.02 175.31 2x1u s VAL 123 N 0.02 1.90 -0.41 -6.03 1.01 0.25 -1.66 120.40 115.47 2x1u s VAL 123 Ca 0.45 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 2x1u s VAL 123 Cb -0.23 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.54 2x1u s VAL 123 CO 0.28 0.52 0.29 -0.63 0.00 0.00 0.00 175.10 175.57 2x1u s ILE 124 N 0.46 4.95 -0.20 2.22 1.01 -0.26 0.19 121.20 129.57 2x1u s ILE 124 Ca -0.17 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.51 2x1u s ILE 124 Cb -0.17 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 2x1u s ILE 124 CO 0.07 -0.37 0.09 0.00 0.00 0.00 0.00 174.94 174.72 2x1u s ALA 125 N 1.61 3.46 -0.10 9.38 0.00 0.43 -0.88 121.76 135.67 2x1u s ALA 125 Ca 0.04 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 2x1u s ALA 125 Cb -0.21 -2.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.85 2x1u s ALA 125 CO 0.07 0.08 0.22 0.00 0.00 0.00 0.00 175.76 176.14 2x1u s ILE 127 N -0.79 0.35 0.00 0.00 -4.36 -0.41 -4.62 121.20 111.36 2x1u s ILE 127 Ca 0.17 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.65 2x1u s ILE 127 Cb -0.13 -1.91 0.00 0.00 1.25 0.00 0.00 42.46 41.66 2x1u s ILE 127 CO 0.06 -0.63 0.00 0.61 0.24 0.00 0.00 174.94 175.22 2x1u n GLY 128 N -0.09 3.50 3.93 6.27 0.00 -1.26 -1.16 105.19 116.39 2x1u n GLY 128 Ca -0.08 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 2x1u n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x1u s GLU 129 N -2.12 3.53 0.90 1.61 1.03 -1.26 -4.77 118.70 117.62 2x1u s GLU 129 Ca 0.00 -0.28 -0.14 0.00 0.03 0.00 0.00 54.97 54.58 2x1u s GLU 129 Cb 0.00 -2.75 0.14 0.00 -0.80 0.00 0.00 34.13 30.72 2x1u s GLU 129 CO 0.00 0.30 1.20 0.95 -1.33 0.00 0.00 175.26 176.37 2x1u s THR 130 N -2.04 1.97 0.15 1.83 -4.23 -1.26 -1.28 115.64 110.78 2x1u s THR 130 Ca 0.40 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.69 2x1u s THR 130 Cb -0.10 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.87 2x1u s THR 130 CO 0.31 0.00 1.64 0.25 -0.54 0.00 0.00 174.62 176.28 2x1u h LEU 131 N -1.44 -0.69 -1.07 4.79 5.85 -1.97 -1.14 115.31 119.65 2x1u h LEU 131 Ca -0.47 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 2x1u h LEU 131 Cb 1.30 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 2x1u h LEU 131 CO 0.56 -0.25 -0.21 1.56 -0.34 0.00 0.00 178.44 179.75 2x1u h GLN 132 N -0.22 0.41 -0.41 1.25 7.50 -1.99 -1.32 115.11 120.32 2x1u h GLN 132 Ca 0.13 -0.14 -0.07 0.00 0.50 0.00 0.00 58.65 59.08 2x1u h GLN 132 Cb 0.42 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.91 2x1u h GLN 132 CO -0.36 0.60 -0.01 0.93 -1.50 0.00 0.00 178.83 178.50 2x1u h GLU 133 N 0.37 0.73 0.54 1.46 5.08 -1.86 -1.59 114.58 119.32 2x1u h GLU 133 Ca 0.06 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2x1u h GLU 133 Cb 0.58 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2x1u h GLU 133 CO 0.04 0.82 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.50 2x1u h ARG 134 N 0.57 -0.74 -0.79 2.33 9.65 -0.98 0.99 114.38 125.40 2x1u h ARG 134 Ca 0.12 0.05 0.13 0.00 -1.10 0.00 0.00 59.98 59.17 2x1u h ARG 134 Cb 0.49 0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 29.18 2x1u h ARG 134 CO 0.02 -0.49 0.52 0.93 2.80 0.00 0.00 179.97 183.75 2x1u h GLU 135 N -0.76 0.58 -0.20 0.20 5.08 -1.21 -1.25 114.58 117.00 2x1u h GLU 135 Ca -0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2x1u h GLU 135 Cb 0.60 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2x1u h GLU 135 CO 0.10 0.38 0.00 -1.13 -1.00 0.00 0.00 179.01 177.36 2x1u n SER 136 N -4.51 1.63 -0.00 1.42 3.41 -0.60 -4.91 113.62 110.05 2x1u n SER 136 Ca 0.14 -1.77 -0.00 0.00 -0.26 0.00 0.00 58.87 56.98 2x1u n SER 136 Cb 0.44 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2x1u n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x1u n GLY 137 N 1.09 0.45 1.19 5.00 0.00 -0.47 -4.93 105.19 107.52 2x1u n GLY 137 Ca 0.15 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.74 2x1u n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x1u n ARG 138 N -2.99 2.72 -0.04 1.61 1.74 0.32 -4.57 116.66 115.45 2x1u n ARG 138 Ca -0.00 -2.19 -0.08 0.00 -0.77 0.00 0.00 57.85 54.80 2x1u n ARG 138 Cb 0.00 -1.59 -0.02 0.00 -1.02 0.00 0.00 32.46 29.83 2x1u n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2x1u h THR 139 N 3.38 0.70 0.20 0.55 2.02 -1.83 -1.37 112.91 116.56 2x1u h THR 139 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2x1u h THR 139 Cb 0.97 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2x1u h THR 139 CO 0.08 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.83 2x1u h ALA 140 N 1.12 -0.33 -0.82 6.16 0.00 -1.94 -0.84 119.26 122.62 2x1u h ALA 140 Ca 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2x1u h ALA 140 Cb 0.23 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2x1u h ALA 140 CO -0.25 -0.70 0.41 0.28 0.00 0.00 0.00 179.25 179.00 2x1u h VAL 141 N -0.34 1.25 0.39 0.00 2.07 -1.84 -1.30 116.25 116.47 2x1u h VAL 141 Ca -0.01 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2x1u h VAL 141 Cb 0.30 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2x1u h VAL 141 CO 0.00 0.29 -0.19 0.58 0.02 0.00 0.00 177.57 178.27 2x1u h VAL 142 N 1.16 0.50 -0.83 2.57 2.07 -1.07 -2.08 116.25 118.56 2x1u h VAL 142 Ca 0.28 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2x1u h VAL 142 Cb 0.09 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 2x1u h VAL 142 CO -0.04 0.09 0.54 0.58 0.02 0.00 0.00 177.57 178.76 2x1u h VAL 143 N -0.90 1.15 -0.15 2.57 2.07 -1.10 -1.65 116.25 118.25 2x1u h VAL 143 Ca -0.05 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 66.98 2x1u h VAL 143 Cb 0.55 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2x1u h VAL 143 CO 0.09 0.19 -0.44 -0.07 0.02 0.00 0.00 177.57 177.37 2x1u h LEU 144 N 1.06 0.38 -0.97 2.57 3.38 -1.31 -2.07 115.31 118.36 2x1u h LEU 144 Ca 0.33 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2x1u h LEU 144 Cb -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2x1u h LEU 144 CO -0.10 0.77 -0.09 0.74 0.09 0.00 0.00 178.44 179.85 2x1u h THR 145 N 0.30 1.24 -0.24 0.22 2.02 -0.78 0.65 112.91 116.32 2x1u h THR 145 Ca 0.02 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.09 2x1u h THR 145 Cb 0.89 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2x1u h THR 145 CO 0.07 0.36 -0.07 1.56 0.37 0.00 0.00 175.52 177.81 2x1u h GLN 146 N 0.60 0.48 -0.01 6.66 4.20 -0.97 -2.09 115.11 123.97 2x1u h GLN 146 Ca 0.11 -0.19 -0.15 0.00 0.06 0.00 0.00 58.65 58.48 2x1u h GLN 146 Cb 0.51 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2x1u h GLN 146 CO 0.03 0.72 -0.68 0.97 -0.67 0.00 0.00 178.83 179.20 2x1u h ILE 147 N 0.21 1.47 -0.62 2.54 2.10 -1.29 -2.86 117.51 119.06 2x1u h ILE 147 Ca 0.06 -2.28 0.00 0.00 1.08 0.00 0.00 64.86 63.72 2x1u h ILE 147 Cb 0.55 2.22 -0.03 0.00 -1.09 0.00 0.00 36.82 38.47 2x1u h ILE 147 CO 0.03 0.66 0.40 0.00 -1.08 0.00 0.00 178.15 178.15 2x1u h ALA 148 N 1.27 0.79 -0.58 0.18 0.00 -0.76 0.12 119.26 120.28 2x1u h ALA 148 Ca -0.01 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2x1u h ALA 148 Cb 1.21 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2x1u h ALA 148 CO 0.09 0.24 0.36 0.00 0.00 0.00 0.00 179.25 179.95 2x1u h ALA 149 N 1.21 0.75 -0.20 0.00 0.00 -1.30 -0.90 119.26 118.82 2x1u h ALA 149 Ca 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2x1u h ALA 149 Cb -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2x1u h ALA 149 CO -0.05 0.11 0.12 0.82 0.00 0.00 0.00 179.25 180.25 2x1u h ILE 150 N 0.72 1.03 0.00 0.00 2.04 -1.20 -2.86 117.51 117.24 2x1u h ILE 150 Ca 0.23 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 2x1u h ILE 150 Cb -0.01 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2x1u h ILE 150 CO -0.08 0.05 -0.17 0.00 0.00 0.00 0.00 178.15 177.94 2x1u h ALA 151 N 1.09 1.54 0.00 1.87 0.00 -0.39 -2.41 119.26 120.95 2x1u h ALA 151 Ca 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2x1u h ALA 151 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2x1u h ALA 151 CO -0.03 0.22 -0.17 -0.22 0.00 0.00 0.00 179.25 179.04 2x1u h LYS 152 N 0.00 0.00 -0.15 0.00 3.64 -0.93 -2.65 116.57 116.48 2x1u h LYS 152 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2x1u h LYS 152 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2x1u h LYS 152 CO 0.02 0.17 0.00 1.63 -2.27 0.00 0.00 179.45 179.00 2x1u n LYS 153 N -3.96 2.29 -4.42 1.90 4.76 -0.91 -4.94 118.16 112.88 2x1u n LYS 153 Ca -0.02 -1.90 -0.26 0.00 -2.87 0.00 0.00 58.31 53.26 2x1u n LYS 153 Cb 0.26 -1.48 -0.11 0.00 -1.84 0.00 0.00 35.03 31.86 2x1u n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x1u s LEU 154 N -1.82 2.53 0.25 -0.35 1.43 -1.00 -4.80 118.68 114.93 2x1u s LEU 154 Ca 0.33 -0.86 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 2x1u s LEU 154 Cb 0.21 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 2x1u s LEU 154 CO 0.31 0.10 0.30 -0.54 0.23 0.00 0.00 176.35 176.75 2x1u s LYS 155 N -2.86 3.22 0.28 1.70 1.02 -1.26 -4.95 119.74 116.89 2x1u s LYS 155 Ca 0.23 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.34 2x1u s LYS 155 Cb -0.07 -2.75 0.65 0.00 -0.52 0.00 0.00 37.83 35.13 2x1u s LYS 155 CO 0.12 0.40 1.70 -0.22 -0.92 0.00 0.00 175.35 176.42 2x1u h LYS 156 N 1.28 0.39 0.00 1.68 3.64 -1.95 0.12 116.57 121.73 2x1u h LYS 156 Ca -0.50 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 2x1u h LYS 156 Cb 1.23 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2x1u h LYS 156 CO 0.60 0.26 -0.08 0.00 -2.27 0.00 0.00 179.45 177.96 2x1u h ALA 157 N 1.67 1.18 0.00 5.00 0.00 -2.00 -2.37 119.26 122.74 2x1u h ALA 157 Ca 0.52 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 2x1u h ALA 157 Cb 0.94 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2x1u h ALA 157 CO -0.51 0.10 -0.02 -0.44 0.00 0.00 0.00 179.25 178.39 2x1u h ASP 158 N 0.00 0.00 0.84 0.00 3.32 -1.15 -3.06 116.42 116.37 2x1u h ASP 158 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x1u h ASP 158 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2x1u h ASP 158 CO 0.01 0.02 0.00 -0.50 -1.72 0.00 0.00 179.24 177.05 2x1u h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.54 -0.31 115.95 122.71 2x1u h TRP 159 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2x1u h TRP 159 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 2x1u h TRP 159 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2x1u h ALA 160 N 2.09 1.00 -0.35 1.49 0.00 -1.76 -2.34 119.26 119.39 2x1u h ALA 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x1u h ALA 160 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2x1u h ALA 160 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2x1u n LYS 161 N -2.66 2.95 -5.29 0.00 4.76 -0.13 -5.00 118.16 112.80 2x1u n LYS 161 Ca -0.01 -2.36 -0.31 0.00 -2.87 0.00 0.00 58.31 52.75 2x1u n LYS 161 Cb 0.11 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 31.64 2x1u n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2x1u s VAL 162 N -1.62 2.05 -0.05 -0.18 1.01 -0.88 -0.58 120.40 120.15 2x1u s VAL 162 Ca 0.31 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2x1u s VAL 162 Cb 0.21 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2x1u s VAL 162 CO 0.15 0.58 -0.12 -0.69 0.00 0.00 0.00 175.10 175.02 2x1u s VAL 163 N -0.45 1.04 -0.19 2.92 1.01 0.13 -4.59 120.40 120.26 2x1u s VAL 163 Ca 0.05 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 2x1u s VAL 163 Cb -0.11 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 2x1u s VAL 163 CO 0.01 0.32 0.15 -0.63 0.00 0.00 0.00 175.10 174.95 2x1u s ILE 164 N 0.44 5.41 -0.27 2.22 -1.09 -0.64 -0.43 121.20 126.84 2x1u s ILE 164 Ca -0.09 0.23 -0.04 0.00 -2.23 0.00 0.00 60.65 58.51 2x1u s ILE 164 Cb -0.13 -3.48 0.02 0.00 -1.58 0.00 0.00 42.46 37.29 2x1u s ILE 164 CO 0.02 0.46 0.02 0.00 -1.23 0.00 0.00 174.94 174.21 2x1u s ALA 165 N 0.18 2.90 -0.22 9.38 0.00 -0.07 0.10 121.76 134.03 2x1u s ALA 165 Ca 0.10 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.41 2x1u s ALA 165 Cb -0.11 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 2x1u s ALA 165 CO -0.01 -0.88 0.55 -0.47 0.00 0.00 0.00 175.76 174.95 2x1u s TYR 166 N 1.42 3.33 -0.21 0.00 5.04 0.78 -1.29 117.35 126.41 2x1u s TYR 166 Ca 0.01 0.76 -0.04 0.00 -2.44 0.00 0.00 57.07 55.36 2x1u s TYR 166 Cb -0.17 -2.72 0.07 0.00 0.35 0.00 0.00 41.96 39.49 2x1u s TYR 166 CO -0.01 -0.19 0.09 -1.21 -1.34 0.00 0.00 175.55 172.89 2x1u s GLU 167 N 1.96 0.28 0.15 4.97 2.02 -0.31 -0.85 118.70 126.92 2x1u s GLU 167 Ca 0.24 -0.33 -0.31 0.00 0.02 0.00 0.00 54.97 54.59 2x1u s GLU 167 Cb -0.16 -1.77 -0.09 0.00 0.10 0.00 0.00 34.13 32.21 2x1u s GLU 167 CO 0.09 -0.76 1.48 -2.14 0.02 0.00 0.00 175.26 173.96 2x1u s PRO 168 N 2.03 4.26 0.30 0.39 0.02 -1.25 -4.21 135.00 136.54 2x1u s PRO 168 Ca 0.03 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.28 2x1u s PRO 168 Cb -0.16 -3.19 0.47 0.00 0.02 0.00 0.00 34.50 31.63 2x1u s PRO 168 CO -0.16 -0.52 1.92 0.28 -0.33 0.00 0.00 177.00 178.19 2x1u h VAL 169 N 4.07 1.21 0.00 3.83 2.07 -1.49 0.65 116.25 126.59 2x1u h VAL 169 Ca -0.43 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2x1u h VAL 169 Cb 1.21 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2x1u h VAL 169 CO 0.88 0.23 0.00 -2.67 0.02 0.00 0.00 177.57 176.04 2x1u n TRP 170 N -4.36 0.00 0.73 1.57 4.27 -1.26 -1.57 117.44 116.82 2x1u n TRP 170 Ca 0.06 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.75 2x1u n TRP 170 Cb 0.11 -0.38 -0.01 0.00 -1.36 0.00 0.00 31.31 29.67 2x1u n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2x1u n ALA 171 N -1.38 3.28 -2.61 -1.67 0.00 0.21 -4.67 120.51 113.65 2x1u n ALA 171 Ca 0.03 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.51 2x1u n ALA 171 Cb 0.07 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 2x1u n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2x1u s ILE 172 N -1.98 4.42 -0.47 0.00 1.01 -0.61 -1.73 121.20 121.84 2x1u s ILE 172 Ca 0.13 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.23 2x1u s ILE 172 Cb 0.13 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2x1u s ILE 172 CO 0.43 -1.00 0.00 0.61 0.00 0.00 0.00 174.94 174.98 2x1u n GLY 173 N 5.05 0.71 0.28 6.18 0.00 -1.26 -4.87 105.19 111.27 2x1u n GLY 173 Ca 0.03 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.64 2x1u n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x1u n THR 174 N -2.76 0.00 -1.10 2.61 -2.24 -1.26 -4.97 114.28 104.57 2x1u n THR 174 Ca -0.04 -0.35 -0.03 0.00 -2.27 0.00 0.00 64.05 61.35 2x1u n THR 174 Cb 0.20 1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 2x1u n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x1u n GLY 175 N 1.04 0.56 3.03 3.38 0.00 -1.26 -4.97 105.19 106.96 2x1u n GLY 175 Ca 0.05 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 2x1u n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x1u s LYS 176 N -1.62 2.13 0.63 1.61 2.20 -1.26 -5.07 119.74 118.36 2x1u s LYS 176 Ca 0.00 -2.41 -0.13 0.00 -0.36 0.00 0.00 55.97 53.06 2x1u s LYS 176 Cb 0.00 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2x1u s LYS 176 CO 0.00 -1.11 1.05 0.54 -0.36 0.00 0.00 175.35 175.47 2x1u s VAL 177 N 0.09 4.01 0.38 4.02 0.11 -1.26 -4.17 120.40 123.59 2x1u s VAL 177 Ca 0.15 0.81 -0.25 0.00 -2.93 0.00 0.00 61.98 59.76 2x1u s VAL 177 Cb -0.23 -3.44 -0.09 0.00 -1.53 0.00 0.00 36.38 31.09 2x1u s VAL 177 CO -0.03 -0.70 1.10 0.00 -3.33 0.00 0.00 175.10 172.14 2x1u s ALA 178 N -2.75 3.15 0.74 1.54 0.00 -1.26 -5.03 121.76 118.14 2x1u s ALA 178 Ca 0.60 0.82 -0.12 0.00 0.00 0.00 0.00 51.96 53.26 2x1u s ALA 178 Cb -0.14 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.70 2x1u s ALA 178 CO 0.45 -0.32 1.11 0.95 0.00 0.00 0.00 175.76 177.95 2x1u s THR 179 N -1.50 3.11 0.46 0.00 -4.23 -1.26 -4.76 115.64 107.46 2x1u s THR 179 Ca 0.56 0.43 0.17 0.00 -1.18 0.00 0.00 61.69 61.66 2x1u s THR 179 Cb -0.26 -2.90 0.34 0.00 1.34 0.00 0.00 72.50 71.02 2x1u s THR 179 CO 0.33 -0.40 1.99 -0.65 -0.54 0.00 0.00 174.62 175.35 2x1u h PRO 180 N -0.70 0.29 -0.24 3.99 0.11 -1.95 -0.41 132.00 133.08 2x1u h PRO 180 Ca -0.45 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 2x1u h PRO 180 Cb 1.24 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2x1u h PRO 180 CO 0.51 0.19 -0.40 1.96 -0.21 0.00 0.00 178.00 180.05 2x1u h GLN 181 N 0.30 0.70 -0.32 1.05 7.50 -1.99 -0.33 115.11 122.01 2x1u h GLN 181 Ca 0.26 -0.43 -0.02 0.00 0.50 0.00 0.00 58.65 58.96 2x1u h GLN 181 Cb 0.63 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.19 2x1u h GLN 181 CO -0.06 1.05 0.13 1.96 -1.50 0.00 0.00 178.83 180.41 2x1u h GLN 182 N 0.42 0.48 -0.07 1.46 4.20 -1.55 -0.66 115.11 119.39 2x1u h GLN 182 Ca 0.02 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2x1u h GLN 182 Cb 1.00 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 2x1u h GLN 182 CO 0.09 0.48 0.04 0.00 -0.67 0.00 0.00 178.83 178.77 2x1u h ALA 183 N 0.98 0.09 -0.64 3.87 0.00 -1.11 -2.25 119.26 120.20 2x1u h ALA 183 Ca 0.11 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2x1u h ALA 183 Cb 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2x1u h ALA 183 CO -0.01 -0.38 0.39 0.37 0.00 0.00 0.00 179.25 179.61 2x1u h GLN 184 N 0.05 0.73 -0.63 0.00 5.75 -0.93 -0.86 115.11 119.22 2x1u h GLN 184 Ca 0.03 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2x1u h GLN 184 Cb 0.05 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 2x1u h GLN 184 CO -0.00 0.48 0.34 0.93 -2.65 0.00 0.00 178.83 177.93 2x1u h GLU 185 N 0.75 0.89 -0.15 1.69 5.08 -1.00 0.78 114.58 122.62 2x1u h GLU 185 Ca 0.26 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2x1u h GLU 185 Cb 0.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2x1u h GLU 185 CO -0.12 0.68 0.06 0.00 -1.00 0.00 0.00 179.01 178.63 2x1u h ALA 186 N 1.16 0.19 -0.82 3.43 0.00 -1.05 -1.79 119.26 120.39 2x1u h ALA 186 Ca 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2x1u h ALA 186 Cb 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2x1u h ALA 186 CO -0.03 -0.23 0.39 0.45 0.00 0.00 0.00 179.25 179.82 2x1u h HIS 187 N 0.09 1.19 -0.62 0.00 3.86 -0.89 -1.81 115.15 116.97 2x1u h HIS 187 Ca 0.05 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 2x1u h HIS 187 Cb 0.15 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 2x1u h HIS 187 CO -0.02 0.86 0.12 0.00 0.86 0.00 0.00 177.93 179.76 2x1u h ALA 188 N 1.20 1.05 -0.44 2.45 0.00 -0.75 -0.32 119.26 122.46 2x1u h ALA 188 Ca 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2x1u h ALA 188 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2x1u h ALA 188 CO -0.03 0.62 0.16 1.25 0.00 0.00 0.00 179.25 181.25 2x1u h LEU 189 N 0.94 0.62 -0.00 0.00 5.85 -1.00 0.14 115.31 121.85 2x1u h LEU 189 Ca 0.19 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2x1u h LEU 189 Cb 0.37 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 2x1u h LEU 189 CO 0.01 0.63 0.00 0.40 -0.34 0.00 0.00 178.44 179.14 2x1u h ILE 190 N 0.57 1.13 -0.66 4.05 2.04 -1.12 -1.95 117.51 121.57 2x1u h ILE 190 Ca 0.15 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 2x1u h ILE 190 Cb 0.22 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2x1u h ILE 190 CO -0.01 0.10 0.29 -0.09 0.00 0.00 0.00 178.15 178.43 2x1u h ARG 191 N -0.15 0.97 -0.86 2.37 2.43 -0.95 -0.54 114.38 117.65 2x1u h ARG 191 Ca 0.00 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2x1u h ARG 191 Cb 0.16 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 2x1u h ARG 191 CO -0.00 0.79 0.56 1.03 -1.51 0.00 0.00 179.97 180.84 2x1u h SER 192 N 0.92 0.93 -0.67 -3.80 0.87 -0.98 0.55 113.55 111.37 2x1u h SER 192 Ca 0.22 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2x1u h SER 192 Cb 0.17 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2x1u h SER 192 CO -0.02 0.65 0.18 -0.25 -0.53 0.00 0.00 176.83 176.86 2x1u h TRP 193 N 1.10 1.11 -0.56 2.24 7.01 -0.86 -1.70 115.95 124.29 2x1u h TRP 193 Ca 0.34 -0.12 -0.07 0.00 2.11 0.00 0.00 58.89 61.14 2x1u h TRP 193 Cb -0.03 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.69 2x1u h TRP 193 CO -0.02 0.91 0.08 0.28 -2.79 0.00 0.00 178.44 176.90 2x1u h VAL 194 N 0.99 1.26 0.04 2.65 2.07 -0.66 0.31 116.25 122.92 2x1u h VAL 194 Ca 0.21 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 2x1u h VAL 194 Cb 0.34 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2x1u h VAL 194 CO -0.00 0.36 -0.02 -1.28 0.02 0.00 0.00 177.57 176.65 2x1u h SER 195 N 0.83 -0.05 -0.31 0.57 0.87 -0.76 0.17 113.55 114.88 2x1u h SER 195 Ca 0.17 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 2x1u h SER 195 Cb 0.43 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2x1u h SER 195 CO 0.01 -0.01 0.10 -1.28 -0.53 0.00 0.00 176.83 175.13 2x1u h SER 196 N -0.08 0.44 0.37 6.23 0.87 -1.16 -2.05 113.55 118.17 2x1u h SER 196 Ca -0.01 -0.20 -0.30 0.00 -1.23 0.00 0.00 61.79 60.06 2x1u h SER 196 Cb 0.07 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 2x1u h SER 196 CO 0.01 0.52 -1.87 0.29 -0.53 0.00 0.00 176.83 175.25 2x1u n LYS 197 N -4.70 0.65 -0.07 2.24 4.76 0.08 -4.64 118.16 116.48 2x1u n LYS 197 Ca -0.02 0.21 -0.13 0.00 -2.87 0.00 0.00 58.31 55.50 2x1u n LYS 197 Cb 0.16 -1.72 -0.06 0.00 -1.84 0.00 0.00 35.03 31.57 2x1u n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2x1u n ILE 198 N -2.95 0.78 0.00 -0.18 2.08 0.46 -5.07 119.36 114.48 2x1u n ILE 198 Ca -0.20 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 62.87 2x1u n ILE 198 Cb 1.06 -1.39 0.00 0.00 -0.75 0.00 0.00 39.64 38.56 2x1u n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2x1u n GLY 199 N 2.43 4.31 0.23 7.39 0.00 -0.36 -4.90 105.19 114.28 2x1u n GLY 199 Ca -0.26 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.13 2x1u n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x1u h ALA 200 N 0.00 1.07 0.00 4.61 0.00 -1.81 -0.24 119.26 122.88 2x1u h ALA 200 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2x1u h ALA 200 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2x1u h ALA 200 CO 0.00 0.27 -0.00 0.38 0.00 0.00 0.00 179.25 179.90 2x1u h ASP 201 N 0.00 -0.00 -0.58 0.00 2.03 -1.93 -1.65 116.42 114.28 2x1u h ASP 201 Ca -0.00 -0.41 0.02 0.00 -0.73 0.00 0.00 57.03 55.91 2x1u h ASP 201 Cb 0.68 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.15 2x1u h ASP 201 CO 0.03 0.41 0.36 0.58 -1.03 0.00 0.00 179.24 179.59 2x1u h VAL 202 N -0.41 1.09 -0.47 4.15 2.07 -1.86 -2.57 116.25 118.24 2x1u h VAL 202 Ca -0.00 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2x1u h VAL 202 Cb 0.41 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2x1u h VAL 202 CO 0.00 0.13 0.20 0.00 0.02 0.00 0.00 177.57 177.92 2x1u h ALA 203 N 1.24 1.47 -0.15 1.67 0.00 -1.00 -1.15 119.26 121.33 2x1u h ALA 203 Ca 0.23 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2x1u h ALA 203 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2x1u h ALA 203 CO -0.08 0.42 -0.37 0.78 0.00 0.00 0.00 179.25 180.00 2x1u h GLY 204 N 0.80 0.35 0.76 0.00 0.00 -0.89 -3.12 103.07 100.97 2x1u h GLY 204 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2x1u h GLY 204 CO -0.02 0.29 -1.01 1.18 0.00 0.00 0.00 176.54 176.98 2x1u n GLU 205 N -4.06 0.39 -1.75 4.80 -0.58 -0.95 -4.56 120.64 113.93 2x1u n GLU 205 Ca -0.01 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.34 2x1u n GLU 205 Cb 0.46 -1.66 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 2x1u n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2x1u s LEU 206 N -4.37 4.41 -0.10 -4.62 2.96 -0.48 -4.84 118.68 111.64 2x1u s LEU 206 Ca 0.02 2.58 -0.30 0.00 -0.22 0.00 0.00 54.13 56.22 2x1u s LEU 206 Cb 0.13 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.27 2x1u s LEU 206 CO 0.79 -1.02 1.06 -0.13 -1.32 0.00 0.00 176.35 175.74 2x1u s ARG 207 N 4.21 4.39 -0.25 1.98 3.00 -1.26 -4.95 118.95 126.07 2x1u s ARG 207 Ca 0.84 1.47 -0.00 0.00 0.00 0.00 0.00 55.73 58.04 2x1u s ARG 207 Cb -0.41 -3.56 0.04 0.00 0.00 0.00 0.00 34.95 31.02 2x1u s ARG 207 CO 0.38 -0.38 -0.09 0.42 0.00 0.00 0.00 175.30 175.64 2x1u s ILE 208 N 2.16 2.58 0.04 1.52 1.01 -1.26 -1.62 121.20 125.63 2x1u s ILE 208 Ca 0.50 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2x1u s ILE 208 Cb -0.20 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2x1u s ILE 208 CO 0.18 0.17 0.16 -0.76 0.00 0.00 0.00 174.94 174.69 2x1u s LEU 209 N 1.26 4.17 -0.14 2.97 1.43 0.11 -1.03 118.68 127.46 2x1u s LEU 209 Ca -0.02 0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.21 2x1u s LEU 209 Cb -0.17 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 2x1u s LEU 209 CO -0.06 0.20 0.13 -0.47 0.23 0.00 0.00 176.35 176.38 2x1u s TYR 210 N -1.41 3.52 0.05 0.29 5.04 -0.42 -0.16 117.35 124.27 2x1u s TYR 210 Ca 0.31 0.45 0.02 0.00 -2.44 0.00 0.00 57.07 55.41 2x1u s TYR 210 Cb -0.13 -1.98 -0.03 0.00 0.35 0.00 0.00 41.96 40.17 2x1u s TYR 210 CO 0.23 0.60 -0.08 0.20 -1.34 0.00 0.00 175.55 175.16 2x1u s GLY 211 N -0.66 0.58 0.00 8.97 0.00 -0.03 -1.66 107.32 114.52 2x1u s GLY 211 Ca 0.13 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2x1u s GLY 211 CO 0.02 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 172.81 2x1u n GLY 212 N 1.24 1.38 2.24 0.20 0.00 -1.26 -3.87 105.19 105.13 2x1u n GLY 212 Ca -0.21 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 2x1u n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x1u n SER 213 N 0.00 -3.92 -4.73 1.61 7.64 -0.71 -4.37 113.62 109.14 2x1u n SER 213 Ca 0.00 0.01 -0.42 0.00 1.01 0.00 0.00 58.87 59.48 2x1u n SER 213 Cb 0.00 -3.08 -0.03 0.00 -1.01 0.00 0.00 64.21 60.09 2x1u n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2x1u s VAL 214 N -2.60 3.07 0.41 0.44 1.01 -1.26 -4.62 120.40 116.85 2x1u s VAL 214 Ca 0.00 0.84 0.04 0.00 0.00 0.00 0.00 61.98 62.86 2x1u s VAL 214 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2x1u s VAL 214 CO 0.00 0.11 0.13 -0.46 0.00 0.00 0.00 175.10 174.88 2x1u n ASN 215 N 3.00 1.46 -0.07 3.32 2.04 -1.26 -4.92 115.26 118.83 2x1u n ASN 215 Ca 0.08 -3.15 -0.10 0.00 -0.44 0.00 0.00 54.58 50.97 2x1u n ASN 215 Cb 0.42 0.94 -0.03 0.00 -2.53 0.00 0.00 39.78 38.58 2x1u n ASN 215 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 2x1u h GLY 216 N 1.56 0.38 0.84 4.83 0.00 -1.86 0.21 103.07 109.02 2x1u h GLY 216 Ca -0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 2x1u h GLY 216 CO 0.52 0.18 -0.19 0.07 0.00 0.00 0.00 176.54 177.12 2x1u h LYS 217 N 0.25 -0.51 0.00 4.80 2.10 -1.98 -2.13 116.57 119.10 2x1u h LYS 217 Ca 0.08 0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.71 2x1u h LYS 217 Cb 0.14 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2x1u h LYS 217 CO -0.01 -0.25 -0.25 -2.95 -2.00 0.00 0.00 179.45 174.00 2x1u h ASN 218 N -0.69 0.00 -0.24 7.07 7.08 -1.96 -2.98 115.58 123.86 2x1u h ASN 218 Ca -0.05 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.14 2x1u h ASN 218 Cb 0.49 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.72 2x1u h ASN 218 CO 0.09 0.25 0.06 0.00 -2.08 0.00 0.00 177.43 175.75 2x1u h ALA 219 N 1.75 0.32 -0.66 4.14 0.00 -0.42 -1.87 119.26 122.51 2x1u h ALA 219 Ca -0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2x1u h ALA 219 Cb 0.49 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2x1u h ALA 219 CO 0.03 -0.03 0.37 0.00 0.00 0.00 0.00 179.25 179.62 2x1u h ARG 220 N 0.21 0.67 -0.43 0.00 3.08 -1.23 -0.72 114.38 115.96 2x1u h ARG 220 Ca 0.08 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 2x1u h ARG 220 Cb 0.27 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2x1u h ARG 220 CO 0.00 0.44 -0.04 1.15 -1.07 0.00 0.00 179.97 180.45 2x1u h THR 221 N 0.69 1.27 -0.68 2.04 2.02 -1.50 -3.03 112.91 113.71 2x1u h THR 221 Ca 0.29 -1.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 2x1u h THR 221 Cb 0.17 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 2x1u h THR 221 CO -0.18 0.38 0.26 -0.07 0.37 0.00 0.00 175.52 176.28 2x1u h LEU 222 N 0.62 0.93 -2.10 2.58 3.38 -0.94 -2.28 115.31 117.50 2x1u h LEU 222 Ca 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2x1u h LEU 222 Cb 0.55 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2x1u h LEU 222 CO 0.03 0.84 -0.06 0.22 0.09 0.00 0.00 178.44 179.56 2x1u h TYR 223 N 0.99 0.00 0.00 1.13 3.20 -1.02 -1.85 116.97 119.42 2x1u h TYR 223 Ca 0.23 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2x1u h TYR 223 Cb 0.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2x1u h TYR 223 CO 0.02 0.06 0.00 1.96 -1.64 0.00 0.00 178.16 178.55 2x1u h GLN 224 N 0.00 0.00 -7.00 1.82 1.08 -1.33 -3.45 115.11 106.23 2x1u h GLN 224 Ca -0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 2x1u h GLN 224 Cb 0.29 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 27.78 2x1u h GLN 224 CO 0.01 0.00 0.49 -0.65 -0.95 0.00 0.00 178.83 177.73 2x1u s GLN 225 N -3.39 3.73 0.26 1.46 -1.52 -0.70 -4.93 119.66 114.57 2x1u s GLN 225 Ca 0.03 1.81 -0.03 0.00 -1.95 0.00 0.00 55.36 55.22 2x1u s GLN 225 Cb 0.09 -2.41 0.41 0.00 -0.22 0.00 0.00 33.01 30.88 2x1u s GLN 225 CO 0.41 -0.59 1.84 -0.09 -0.25 0.00 0.00 175.29 176.61 2x1u h ARG 226 N 2.04 0.92 -0.41 2.91 2.43 -1.89 -3.01 114.38 117.37 2x1u h ARG 226 Ca -0.49 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 2x1u h ARG 226 Cb 1.25 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2x1u h ARG 226 CO 0.60 0.61 0.00 -0.25 -1.51 0.00 0.00 179.97 179.42 2x1u n ASP 227 N -4.64 3.60 -4.68 -3.80 9.92 -1.26 -4.91 116.55 110.78 2x1u n ASP 227 Ca 0.15 -2.33 -0.38 0.00 -0.53 0.00 0.00 54.79 51.69 2x1u n ASP 227 Cb 0.25 -0.39 -0.07 0.00 -0.64 0.00 0.00 41.12 40.26 2x1u n ASP 227 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x1u s VAL 228 N -1.61 5.22 -0.21 2.53 1.01 -1.14 -4.65 120.40 121.55 2x1u s VAL 228 Ca 0.35 0.66 0.14 0.00 0.00 0.00 0.00 61.98 63.13 2x1u s VAL 228 Cb 0.23 -3.71 0.30 0.00 0.00 0.00 0.00 36.38 33.20 2x1u s VAL 228 CO 0.17 0.28 1.21 0.59 0.00 0.00 0.00 175.10 177.35 2x1u n ASN 229 N 4.29 2.76 0.00 3.32 5.03 -0.20 -4.88 115.26 125.58 2x1u n ASN 229 Ca -0.09 -2.73 0.00 0.00 0.87 0.00 0.00 54.58 52.63 2x1u n ASN 229 Cb 0.51 -0.35 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 2x1u n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x1u n GLY 230 N -0.78 0.87 3.11 7.41 0.00 -1.26 -1.82 105.19 112.73 2x1u n GLY 230 Ca 0.14 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 2x1u n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1u s PHE 231 N -2.58 0.13 -0.16 1.61 0.08 -0.48 -1.30 117.98 115.28 2x1u s PHE 231 Ca 0.00 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.73 2x1u s PHE 231 Cb 0.00 -0.10 0.01 0.00 -0.57 0.00 0.00 43.02 42.36 2x1u s PHE 231 CO 0.00 -0.32 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.44 2x1u s LEU 232 N -1.76 2.28 0.35 -0.37 2.96 -0.66 -0.84 118.68 120.64 2x1u s LEU 232 Ca -0.10 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.24 2x1u s LEU 232 Cb -0.05 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.14 2x1u s LEU 232 CO -0.02 0.06 0.48 0.00 -1.32 0.00 0.00 176.35 175.55 2x1u s ALA 233 N 0.93 0.88 0.51 5.97 0.00 0.15 -4.08 121.76 126.12 2x1u s ALA 233 Ca -0.04 -1.58 -0.19 0.00 0.00 0.00 0.00 51.96 50.15 2x1u s ALA 233 Cb -0.15 1.17 -0.08 0.00 0.00 0.00 0.00 23.12 24.06 2x1u s ALA 233 CO -0.03 -0.79 1.03 0.20 0.00 0.00 0.00 175.76 176.17 2x1u s GLY 234 N -3.26 2.36 -1.03 0.00 0.00 -1.26 0.10 107.32 104.22 2x1u s GLY 234 Ca 0.31 0.49 -0.23 0.00 0.00 0.00 0.00 44.72 45.29 2x1u s GLY 234 CO 0.22 0.79 1.74 -2.27 0.00 0.00 0.00 173.10 173.58 2x1u s LEU 238 N -3.74 3.35 0.24 0.66 2.96 -1.08 -4.71 118.68 116.35 2x1u s LEU 238 Ca 0.65 -1.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 2x1u s LEU 238 Cb -0.15 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2x1u s LEU 238 CO 0.24 -2.16 0.12 -1.59 -1.32 0.00 0.00 176.35 171.65 2x1u s LYS 239 N 5.86 1.34 0.41 1.98 -2.85 -1.26 -5.05 119.74 120.17 2x1u s LYS 239 Ca 0.59 -1.72 0.08 0.00 -1.00 0.00 0.00 55.97 53.92 2x1u s LYS 239 Cb -0.02 0.02 0.87 0.00 -2.06 0.00 0.00 37.83 36.64 2x1u s LYS 239 CO -0.01 -0.37 2.05 -1.35 0.10 0.00 0.00 175.35 175.77 2x1u h PRO 240 N 2.47 0.53 0.00 1.78 0.11 -1.98 -2.43 132.00 132.49 2x1u h PRO 240 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2x1u h PRO 240 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2x1u h PRO 240 CO 0.55 0.35 0.00 -0.85 -0.21 0.00 0.00 178.00 177.85 2x1u n GLU 241 N -4.47 0.42 0.07 1.05 0.28 -1.26 -2.78 120.64 113.94 2x1u n GLU 241 Ca 0.04 0.06 0.15 0.00 -0.16 0.00 0.00 57.16 57.25 2x1u n GLU 241 Cb 0.09 -1.50 0.65 0.00 1.43 0.00 0.00 31.44 32.11 2x1u n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2x1u h PHE 242 N 0.00 0.06 -0.54 -1.84 3.57 -1.72 0.43 116.94 116.90 2x1u h PHE 242 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2x1u h PHE 242 Cb 0.09 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2x1u h PHE 242 CO 0.00 0.03 0.29 0.28 -2.23 0.00 0.00 178.31 176.68 2x1u h VAL 243 N 0.06 1.17 -0.12 1.41 2.07 -1.76 -0.18 116.25 118.90 2x1u h VAL 243 Ca 0.17 -0.43 -0.17 0.00 0.82 0.00 0.00 66.70 67.09 2x1u h VAL 243 Cb 0.62 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2x1u h VAL 243 CO -0.01 0.19 -0.65 0.44 0.02 0.00 0.00 177.57 177.55 2x1u h ASP 244 N 0.76 0.53 -0.34 0.57 3.32 -1.17 -2.40 116.42 117.70 2x1u h ASP 244 Ca 0.19 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2x1u h ASP 244 Cb 0.03 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2x1u h ASP 244 CO -0.03 1.05 0.15 0.40 -1.72 0.00 0.00 179.24 179.08 2x1u h ILE 245 N 0.33 1.17 -0.58 0.35 2.04 -0.94 -0.96 117.51 118.93 2x1u h ILE 245 Ca -0.02 -0.51 0.09 0.00 1.00 0.00 0.00 64.86 65.43 2x1u h ILE 245 Cb 1.21 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 38.10 2x1u h ILE 245 CO 0.12 0.18 0.19 0.40 0.00 0.00 0.00 178.15 179.04 2x1u h ILE 246 N 0.40 0.75 0.00 -0.67 2.04 -1.00 -2.00 117.51 117.03 2x1u h ILE 246 Ca 0.11 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 2x1u h ILE 246 Cb 0.15 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2x1u h ILE 246 CO -0.01 0.06 -0.18 0.11 0.00 0.00 0.00 178.15 178.13 2x1u h LYS 247 N 0.35 0.00 0.00 2.37 1.57 -0.97 -2.54 116.57 117.35 2x1u h LYS 247 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2x1u h LYS 247 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2x1u h LYS 247 CO -0.32 0.18 0.00 0.00 -0.57 0.00 0.00 179.45 178.75 2x1u n ALA 248 N -2.37 2.04 -1.21 3.86 0.00 -0.41 -4.15 120.51 118.28 2x1u n ALA 248 Ca -0.02 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 2x1u n ALA 248 Cb 0.28 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.28 2x1u n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2x1u n THR 249 N -1.41 3.11 -1.94 0.00 -2.24 -0.96 -4.48 114.28 106.36 2x1u n THR 249 Ca 0.07 -2.18 0.00 0.00 -2.27 0.00 0.00 64.05 59.68 2x1u n THR 249 Cb 0.22 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 2x1u n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50