#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ n THR 2 N 0.00 -0.37 0.00 2.03 -2.24 -1.26 -4.99 114.28 107.46 2occ n THR 2 Ca 0.00 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2occ n THR 2 Cb 0.00 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2occ n THR 2 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2occ n HIS 3 N 0.45 0.00 -3.39 4.78 -0.00 -1.26 -5.12 115.22 110.69 2occ n HIS 3 Ca -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 2occ n HIS 3 Cb 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.01 2occ n HIS 3 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2occ s GLN 4 N 1.54 4.12 -0.27 1.57 -2.07 -1.26 -4.98 119.66 118.31 2occ s GLN 4 Ca 0.00 0.50 0.10 0.00 -1.82 0.00 0.00 55.36 54.14 2occ s GLN 4 Cb 0.00 -3.30 0.49 0.00 -1.09 0.00 0.00 33.01 29.12 2occ s GLN 4 CO 0.00 0.50 1.43 0.25 -1.32 0.00 0.00 175.29 176.15 2occ n THR 5 N 2.41 2.47 -4.46 3.63 -2.24 -1.26 -4.98 114.28 109.84 2occ n THR 5 Ca -0.11 -2.67 -0.23 0.00 -2.27 0.00 0.00 64.05 58.78 2occ n THR 5 Cb 0.52 -0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.34 2occ n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2occ s HIS 6 N -3.18 2.14 -2.13 4.78 0.00 -1.26 -5.06 115.29 110.57 2occ s HIS 6 Ca 0.43 -0.53 0.16 0.00 -3.00 0.00 0.00 55.06 52.12 2occ s HIS 6 Cb 0.39 -1.12 0.54 0.00 -4.00 0.00 0.00 32.58 28.39 2occ s HIS 6 CO 0.00 0.49 1.41 0.00 -1.00 0.00 0.00 174.74 175.65 2occ n ALA 7 N -0.63 2.48 -2.06 -1.38 0.00 -1.26 -4.95 120.51 112.71 2occ n ALA 7 Ca -0.06 -0.55 -0.28 0.00 0.00 0.00 0.00 53.44 52.55 2occ n ALA 7 Cb 0.62 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 19.06 2occ n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2occ s TYR 8 N -1.67 3.41 -0.32 0.00 2.02 -1.26 -4.51 117.35 115.02 2occ s TYR 8 Ca 0.28 0.87 -0.12 0.00 -0.37 0.00 0.00 57.07 57.72 2occ s TYR 8 Cb 0.15 -2.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.00 2occ s TYR 8 CO 0.21 -0.72 0.22 -1.58 -1.57 0.00 0.00 175.55 172.11 2occ s HIS 9 N -3.02 3.22 -0.45 2.71 5.65 -1.26 -5.05 115.29 117.10 2occ s HIS 9 Ca 0.53 -0.11 -0.19 0.00 0.25 0.00 0.00 55.06 55.54 2occ s HIS 9 Cb -0.11 -2.44 0.03 0.00 -1.18 0.00 0.00 32.58 28.89 2occ s HIS 9 CO 0.48 -0.29 0.55 -1.64 -0.65 0.00 0.00 174.74 173.18 2occ s MET 10 N 1.73 3.16 0.24 2.88 -1.94 -1.26 -5.06 119.30 119.05 2occ s MET 10 Ca 0.06 -0.67 -0.22 0.00 -1.71 0.00 0.00 55.69 53.14 2occ s MET 10 Cb -0.17 -4.00 -0.09 0.00 2.01 0.00 0.00 34.83 32.59 2occ s MET 10 CO 0.10 -1.00 0.79 0.14 -0.01 0.00 0.00 175.02 175.05 2occ s VAL 11 N 2.47 4.43 0.44 -6.03 -7.23 -1.26 -5.03 120.40 108.20 2occ s VAL 11 Ca 0.16 1.51 -0.25 0.00 -1.81 0.00 0.00 61.98 61.59 2occ s VAL 11 Cb -0.17 -3.96 -0.08 0.00 0.56 0.00 0.00 36.38 32.73 2occ s VAL 11 CO 0.15 0.26 1.36 0.20 -0.31 0.00 0.00 175.10 176.76 2occ s ASN 12 N -1.54 6.00 0.06 4.85 0.02 -1.26 -4.88 114.94 118.18 2occ s ASN 12 Ca 0.43 2.77 -0.36 0.00 -1.02 0.00 0.00 52.86 54.69 2occ s ASN 12 Cb -0.19 -2.64 -0.15 0.00 0.02 0.00 0.00 41.25 38.29 2occ s ASN 12 CO 0.23 -1.08 1.52 -2.65 0.02 0.00 0.00 177.10 175.14 2occ n PRO 13 N -0.17 1.62 -4.65 -0.60 -0.02 -1.26 -4.94 135.00 124.97 2occ n PRO 13 Ca 0.05 0.59 -0.27 0.00 -2.02 0.00 0.00 63.50 61.85 2occ n PRO 13 Cb 0.43 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.47 2occ n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2occ s SER 14 N 1.31 2.69 0.00 2.55 0.15 -1.26 -5.03 113.70 114.11 2occ s SER 14 Ca 0.85 -0.57 0.26 0.00 0.70 0.00 0.00 55.95 57.18 2occ s SER 14 Cb -0.84 -0.22 0.60 0.00 -1.71 0.00 0.00 66.02 63.85 2occ s SER 14 CO 0.46 0.17 1.47 -0.81 1.20 0.00 0.00 173.24 175.73 2occ n PRO 15 N 1.70 0.45 -0.35 5.44 -0.04 -1.26 -4.28 135.00 136.66 2occ n PRO 15 Ca -0.17 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 2occ n PRO 15 Cb 0.53 -1.49 0.16 0.00 -0.04 0.00 0.00 33.50 32.66 2occ n PRO 15 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2occ h TRP 16 N 0.66 1.19 -0.94 0.54 -0.00 -1.95 -1.88 115.95 113.56 2occ h TRP 16 Ca 0.00 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 58.94 2occ h TRP 16 Cb 0.51 -0.40 -0.05 0.00 -0.00 0.00 0.00 29.16 29.22 2occ h TRP 16 CO 0.00 0.69 0.62 -1.35 -0.00 0.00 0.00 178.44 178.41 2occ h PRO 17 N 1.23 1.21 -0.26 0.49 0.11 -1.98 0.17 132.00 132.98 2occ h PRO 17 Ca 0.38 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.37 2occ h PRO 17 Cb -0.02 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 30.81 2occ h PRO 17 CO -0.11 0.80 -0.03 1.25 -0.21 0.00 0.00 178.00 179.70 2occ h LEU 18 N 1.24 0.47 -0.97 2.35 7.12 -1.65 -0.97 115.31 122.90 2occ h LEU 18 Ca 0.36 -0.34 -0.11 0.00 0.13 0.00 0.00 57.88 57.92 2occ h LEU 18 Cb -0.09 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 39.90 2occ h LEU 18 CO -0.09 0.70 -0.50 0.71 -0.13 0.00 0.00 178.44 179.12 2occ h THR 19 N 0.23 1.36 -0.40 1.05 1.35 -1.13 -0.71 112.91 114.66 2occ h THR 19 Ca 0.07 -1.71 -0.15 0.00 -0.55 0.00 0.00 66.41 64.06 2occ h THR 19 Cb 0.47 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 2occ h THR 19 CO 0.02 0.49 -0.35 1.23 -0.25 0.00 0.00 175.52 176.66 2occ h GLY 20 N 1.47 1.02 0.97 5.82 0.00 -0.50 0.16 103.07 112.01 2occ h GLY 20 Ca -0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 47.33 46.22 2occ h GLY 20 CO 0.07 0.92 -0.15 0.00 0.00 0.00 0.00 176.54 177.37 2occ h ALA 21 N 0.81 0.51 -0.43 3.60 0.00 -0.92 -1.84 119.26 120.99 2occ h ALA 21 Ca 0.07 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2occ h ALA 21 Cb 0.94 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2occ h ALA 21 CO 0.09 0.42 -0.02 -0.07 0.00 0.00 0.00 179.25 179.67 2occ h LEU 22 N 0.53 0.67 -0.53 0.00 4.07 -0.97 -2.27 115.31 116.82 2occ h LEU 22 Ca 0.08 -0.16 0.05 0.00 0.08 0.00 0.00 57.88 57.94 2occ h LEU 22 Cb 0.69 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 42.20 2occ h LEU 22 CO 0.05 0.75 0.26 0.28 -1.08 0.00 0.00 178.44 178.70 2occ h SER 23 N 0.66 0.37 -0.86 -0.43 0.02 -0.35 -0.07 113.55 112.88 2occ h SER 23 Ca 0.13 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2occ h SER 23 Cb 0.43 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 2occ h SER 23 CO 0.02 0.25 0.54 0.00 -1.14 0.00 0.00 176.83 176.50 2occ h ALA 24 N 1.29 1.32 -0.51 3.77 0.00 -0.82 -0.14 119.26 124.17 2occ h ALA 24 Ca 0.23 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2occ h ALA 24 Cb 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2occ h ALA 24 CO -0.17 0.60 0.13 1.25 0.00 0.00 0.00 179.25 181.06 2occ h LEU 25 N 1.19 0.78 -0.85 0.00 5.85 -0.59 -1.72 115.31 119.97 2occ h LEU 25 Ca 0.31 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2occ h LEU 25 Cb -0.08 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 2occ h LEU 25 CO -0.06 0.81 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.76 2occ h LEU 26 N 0.71 0.82 -0.20 2.25 4.07 -0.66 -1.70 115.31 120.61 2occ h LEU 26 Ca 0.16 -0.21 -0.16 0.00 0.08 0.00 0.00 57.88 57.75 2occ h LEU 26 Cb 0.33 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.86 2occ h LEU 26 CO 0.00 0.89 -0.51 0.24 -1.08 0.00 0.00 178.44 177.98 2occ h MET 27 N 0.79 0.70 0.06 1.13 2.86 -0.83 -0.38 114.93 119.26 2occ h MET 27 Ca 0.15 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.30 2occ h MET 27 Cb 0.49 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2occ h MET 27 CO 0.02 1.10 -0.03 1.79 1.06 0.00 0.00 176.91 180.86 2occ h THR 28 N 0.40 1.24 0.00 2.22 1.35 -1.29 0.25 112.91 117.08 2occ h THR 28 Ca -0.01 -1.19 -0.04 0.00 -0.55 0.00 0.00 66.41 64.63 2occ h THR 28 Cb 1.12 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 69.54 2occ h THR 28 CO 0.11 0.29 -0.17 0.77 -0.25 0.00 0.00 175.52 176.27 2occ h SER 29 N -0.64 0.00 0.17 5.36 4.64 -1.42 -0.45 113.55 121.21 2occ h SER 29 Ca -0.01 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 2occ h SER 29 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2occ h SER 29 CO 0.01 0.17 -0.62 1.23 -0.87 0.00 0.00 176.83 176.76 2occ h GLY 30 N 1.38 0.48 1.97 -0.77 0.00 -0.86 0.04 103.07 105.30 2occ h GLY 30 Ca -0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.61 2occ h GLY 30 CO 0.02 0.53 -0.59 1.41 0.00 0.00 0.00 176.54 177.92 2occ h LEU 31 N 0.32 0.04 -0.59 3.11 3.38 0.42 -1.40 115.31 120.58 2occ h LEU 31 Ca -0.01 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2occ h LEU 31 Cb 1.16 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2occ h LEU 31 CO 0.11 0.62 -0.51 0.74 0.09 0.00 0.00 178.44 179.48 2occ h THR 32 N 0.02 1.32 -0.18 0.22 2.02 -0.64 -1.50 112.91 114.18 2occ h THR 32 Ca -0.01 -1.74 -0.18 0.00 0.77 0.00 0.00 66.41 65.25 2occ h THR 32 Cb 1.04 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 69.19 2occ h THR 32 CO 0.08 0.54 -0.64 -0.03 0.37 0.00 0.00 175.52 175.84 2occ h MET 33 N 0.40 0.64 -0.09 6.66 -1.53 -0.82 -2.49 114.93 117.69 2occ h MET 33 Ca 0.02 -0.45 -0.03 0.00 -3.44 0.00 0.00 59.70 55.79 2occ h MET 33 Cb 1.03 0.07 -0.00 0.00 -0.55 0.00 0.00 31.60 32.15 2occ h MET 33 CO 0.09 1.07 -0.07 2.35 0.14 0.00 0.00 176.91 180.50 2occ h TRP 34 N 0.47 0.25 -0.77 1.39 7.01 -0.85 -2.12 115.95 121.32 2occ h TRP 34 Ca -0.01 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 60.92 2occ h TRP 34 Cb 1.22 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 28.18 2occ h TRP 34 CO 0.06 0.60 0.49 0.74 -2.79 0.00 0.00 178.44 177.54 2occ h PHE 35 N -0.18 0.99 0.00 2.65 0.04 -1.29 -3.19 116.94 115.96 2occ h PHE 35 Ca 0.02 0.01 -0.17 0.00 2.80 0.00 0.00 57.97 60.63 2occ h PHE 35 Cb 0.55 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 2occ h PHE 35 CO 0.08 0.64 -1.41 0.72 -0.60 0.00 0.00 178.31 177.74 2occ n HIS 36 N -4.40 0.00 -0.51 -0.55 8.25 -0.94 -4.72 115.22 112.35 2occ n HIS 36 Ca 0.08 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.47 2occ n HIS 36 Cb 0.05 -0.46 0.20 0.00 1.12 0.00 0.00 29.99 30.90 2occ n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2occ n PHE 37 N -3.83 1.91 -3.92 4.41 3.72 -0.85 -4.98 117.46 113.92 2occ n PHE 37 Ca -0.23 -1.05 -0.25 0.00 -0.05 0.00 0.00 57.45 55.87 2occ n PHE 37 Cb 0.57 -0.60 0.01 0.00 -0.94 0.00 0.00 39.48 38.52 2occ n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2occ n ASN 38 N -0.17 -2.13 -3.87 4.37 4.05 -0.91 -4.90 115.26 111.71 2occ n ASN 38 Ca 0.33 -0.69 -0.12 0.00 0.45 0.00 0.00 54.58 54.55 2occ n ASN 38 Cb 1.17 -0.83 -0.13 0.00 1.23 0.00 0.00 39.78 41.23 2occ n ASN 38 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2occ s SER 39 N -4.23 -0.02 0.00 1.20 0.15 -1.12 -4.97 113.70 104.72 2occ s SER 39 Ca 0.26 0.01 0.14 0.00 0.70 0.00 0.00 55.95 57.06 2occ s SER 39 Cb -0.15 0.15 0.11 0.00 -1.71 0.00 0.00 66.02 64.42 2occ s SER 39 CO 0.51 -0.11 0.94 0.23 1.20 0.00 0.00 173.24 176.01 2occ n MET 40 N 2.63 0.96 0.01 5.44 2.81 -1.26 -2.33 117.12 125.37 2occ n MET 40 Ca -0.15 -1.32 -0.09 0.00 -1.81 0.00 0.00 57.70 54.32 2occ n MET 40 Cb 0.58 -1.27 -0.03 0.00 -0.71 0.00 0.00 33.22 31.80 2occ n MET 40 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2occ h THR 41 N 2.71 0.57 -0.19 2.03 2.02 -1.96 -0.10 112.91 117.99 2occ h THR 41 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2occ h THR 41 Cb 0.58 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2occ h THR 41 CO 0.00 0.00 0.10 0.25 0.37 0.00 0.00 175.52 176.24 2occ h LEU 42 N -0.21 0.16 -1.65 2.58 5.85 -1.88 -0.58 115.31 119.58 2occ h LEU 42 Ca 0.09 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.89 2occ h LEU 42 Cb 0.34 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2occ h LEU 42 CO -0.24 0.12 0.36 0.25 -0.34 0.00 0.00 178.44 178.59 2occ h LEU 43 N 0.21 0.37 -0.13 2.25 5.85 -1.62 0.06 115.31 122.30 2occ h LEU 43 Ca 0.07 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 2occ h LEU 43 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2occ h LEU 43 CO -0.04 0.23 -0.31 0.24 -0.34 0.00 0.00 178.44 178.22 2occ h MET 44 N 0.41 0.43 0.12 1.25 2.86 0.00 -1.19 114.93 118.81 2occ h MET 44 Ca 0.24 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2occ h MET 44 Cb 0.41 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2occ h MET 44 CO -0.06 0.91 -0.19 0.82 1.06 0.00 0.00 176.91 179.45 2occ h ILE 45 N 0.02 0.58 -0.44 -1.22 1.08 -0.28 -2.15 117.51 115.10 2occ h ILE 45 Ca -0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 2occ h ILE 45 Cb 0.91 0.58 -0.08 0.00 -3.07 0.00 0.00 36.82 35.16 2occ h ILE 45 CO 0.07 0.00 -0.08 1.23 -0.69 0.00 0.00 178.15 178.67 2occ h GLY 46 N -0.37 0.35 1.43 5.37 0.00 -0.98 -1.07 103.07 107.81 2occ h GLY 46 Ca 0.02 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 2occ h GLY 46 CO -0.09 -0.16 0.34 1.41 0.00 0.00 0.00 176.54 178.04 2occ h LEU 47 N 0.03 0.66 -0.12 3.11 3.38 -1.03 -1.37 115.31 119.97 2occ h LEU 47 Ca 0.21 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2occ h LEU 47 Cb 0.32 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2occ h LEU 47 CO -0.43 0.51 -0.07 0.74 0.09 0.00 0.00 178.44 179.27 2occ h THR 48 N 0.77 1.33 0.00 0.22 2.02 -0.62 -2.42 112.91 114.21 2occ h THR 48 Ca 0.20 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.18 2occ h THR 48 Cb -0.04 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2occ h THR 48 CO -0.04 0.33 -0.25 0.71 0.37 0.00 0.00 175.52 176.64 2occ h THR 49 N -0.11 0.98 -0.14 3.16 1.35 -0.98 -1.85 112.91 115.31 2occ h THR 49 Ca 0.02 -0.93 -0.05 0.00 -0.55 0.00 0.00 66.41 64.90 2occ h THR 49 Cb 0.55 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2occ h THR 49 CO 0.02 0.25 -0.11 -1.13 -0.25 0.00 0.00 175.52 174.30 2occ h ASN 50 N 0.00 0.34 -0.75 5.36 -1.24 -1.17 -0.31 115.58 117.81 2occ h ASN 50 Ca -0.00 -0.46 -0.02 0.00 0.71 0.00 0.00 56.30 56.53 2occ h ASN 50 Cb 0.51 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.43 2occ h ASN 50 CO 0.03 0.72 0.37 0.24 -1.29 0.00 0.00 177.43 177.51 2occ h MET 51 N -0.04 1.07 -0.67 6.67 2.86 -1.15 -0.65 114.93 123.02 2occ h MET 51 Ca 0.03 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 2occ h MET 51 Cb 0.62 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 2occ h MET 51 CO 0.03 0.83 0.30 -0.07 1.06 0.00 0.00 176.91 179.05 2occ h LEU 52 N 1.05 0.90 -0.35 1.22 3.38 -1.25 0.13 115.31 120.39 2occ h LEU 52 Ca 0.26 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2occ h LEU 52 Cb 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2occ h LEU 52 CO -0.04 0.80 0.09 0.74 0.09 0.00 0.00 178.44 180.13 2occ h THR 53 N 0.94 1.22 -0.59 0.22 2.02 -0.59 -2.08 112.91 114.05 2occ h THR 53 Ca 0.23 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 2occ h THR 53 Cb 0.16 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2occ h THR 53 CO -0.02 0.25 0.03 0.24 0.37 0.00 0.00 175.52 176.39 2occ h MET 54 N 0.41 1.01 0.45 6.66 2.86 -0.88 0.77 114.93 126.21 2occ h MET 54 Ca 0.11 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 2occ h MET 54 Cb 0.29 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2occ h MET 54 CO 0.00 0.99 -0.22 -0.92 1.06 0.00 0.00 176.91 177.81 2occ h TYR 55 N 0.91 -0.58 -0.69 -0.22 3.20 -0.90 -1.87 116.97 116.81 2occ h TYR 55 Ca 0.17 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 2occ h TYR 55 Cb 0.51 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 2occ h TYR 55 CO 0.04 -0.36 0.20 1.96 -1.64 0.00 0.00 178.16 178.36 2occ h GLN 56 N -0.62 1.09 -0.06 1.82 4.20 -1.25 0.11 115.11 120.40 2occ h GLN 56 Ca -0.06 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 2occ h GLN 56 Cb 0.48 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2occ h GLN 56 CO 0.10 0.95 0.03 2.35 -0.67 0.00 0.00 178.83 181.58 2occ h TRP 57 N 1.03 0.09 0.00 2.96 2.91 -0.85 -0.19 115.95 121.91 2occ h TRP 57 Ca 0.22 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.17 2occ h TRP 57 Cb 0.32 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 2occ h TRP 57 CO 0.03 0.20 -0.30 -1.49 -1.03 0.00 0.00 178.44 175.85 2occ h TRP 58 N -0.04 0.00 -0.05 2.65 6.55 -1.16 -1.54 115.95 122.36 2occ h TRP 58 Ca 0.02 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 2occ h TRP 58 Cb 0.15 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.45 2occ h TRP 58 CO -0.02 0.30 0.01 -0.09 -1.05 0.00 0.00 178.44 177.58 2occ h ARG 59 N 0.00 0.08 -0.81 0.49 2.43 -0.40 -2.35 114.38 113.83 2occ h ARG 59 Ca -0.00 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2occ h ARG 59 Cb 0.83 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.31 2occ h ARG 59 CO 0.04 0.34 0.50 -0.44 -1.51 0.00 0.00 179.97 178.89 2occ h ASP 60 N -0.18 0.78 -0.30 -3.80 3.32 -0.67 -0.13 116.42 115.44 2occ h ASP 60 Ca 0.01 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2occ h ASP 60 Cb 0.29 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2occ h ASP 60 CO 0.00 0.51 0.19 0.58 -1.72 0.00 0.00 179.24 178.80 2occ h VAL 61 N 0.92 1.10 -0.24 -1.35 2.07 -1.06 0.32 116.25 118.00 2occ h VAL 61 Ca 0.35 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.46 2occ h VAL 61 Cb 0.13 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2occ h VAL 61 CO -0.16 0.10 -0.55 0.40 0.02 0.00 0.00 177.57 177.39 2occ h ILE 62 N 0.44 1.29 -0.38 4.57 2.04 -0.55 -2.60 117.51 122.32 2occ h ILE 62 Ca 0.12 -1.75 0.02 0.00 1.00 0.00 0.00 64.86 64.25 2occ h ILE 62 Cb -0.01 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 2occ h ILE 62 CO -0.02 0.56 0.21 0.03 0.00 0.00 0.00 178.15 178.93 2occ h ARG 63 N 0.55 0.42 0.00 2.37 3.08 -0.19 0.18 114.38 120.78 2occ h ARG 63 Ca -0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2occ h ARG 63 Cb 1.16 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 2occ h ARG 63 CO 0.12 0.28 -0.16 0.93 -1.07 0.00 0.00 179.97 180.06 2occ h GLU 64 N 0.43 0.00 0.00 0.04 5.08 -0.93 0.26 114.58 119.46 2occ h GLU 64 Ca 0.15 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 2occ h GLU 64 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2occ h GLU 64 CO -0.08 0.16 -1.32 -1.13 -1.00 0.00 0.00 179.01 175.64 2occ n SER 65 N -3.59 1.80 -0.06 1.42 3.41 -0.89 -0.75 113.62 114.96 2occ n SER 65 Ca -0.01 0.30 -0.14 0.00 -0.26 0.00 0.00 58.87 58.76 2occ n SER 65 Cb 0.30 -0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 63.48 2occ n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2occ h THR 66 N -0.87 1.35 0.11 6.66 2.02 -1.14 -2.53 112.91 118.51 2occ h THR 66 Ca -0.19 -1.44 -0.33 0.00 0.77 0.00 0.00 66.41 65.22 2occ h THR 66 Cb 1.08 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 2occ h THR 66 CO -0.11 0.43 -1.80 -0.26 0.37 0.00 0.00 175.52 174.15 2occ h PHE 67 N 0.08 0.44 -0.01 3.16 0.04 -1.50 -3.39 116.94 115.77 2occ h PHE 67 Ca 0.02 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.47 2occ h PHE 67 Cb 0.80 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.93 2occ h PHE 67 CO 0.09 1.71 -0.51 1.04 -0.60 0.00 0.00 178.31 180.04 2occ n GLN 68 N -3.69 0.66 -1.96 1.51 6.02 0.90 -4.99 117.38 115.83 2occ n GLN 68 Ca -0.30 -0.48 -0.16 0.00 -0.01 0.00 0.00 57.00 56.05 2occ n GLN 68 Cb 0.98 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.72 2occ n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2occ n GLY 69 N 1.42 0.51 0.06 1.08 0.00 -0.95 -4.91 105.19 102.40 2occ n GLY 69 Ca 0.09 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.00 2occ n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2occ n HIS 70 N -3.39 0.46 -2.65 1.61 8.25 0.07 -4.47 115.22 115.09 2occ n HIS 70 Ca -0.18 0.15 -0.43 0.00 -0.26 0.00 0.00 57.72 57.00 2occ n HIS 70 Cb 0.60 -0.74 0.00 0.00 1.12 0.00 0.00 29.99 30.97 2occ n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2occ n HIS 71 N -1.89 4.49 -1.38 4.41 8.25 -1.26 -4.71 115.22 123.13 2occ n HIS 71 Ca 0.05 -3.09 -0.29 0.00 -0.26 0.00 0.00 57.72 54.13 2occ n HIS 71 Cb 0.32 -2.33 0.15 0.00 1.12 0.00 0.00 29.99 29.25 2occ n HIS 71 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2occ s THR 72 N 2.36 2.20 0.44 1.59 -4.23 -1.26 -4.72 115.64 112.02 2occ s THR 72 Ca 0.46 0.07 0.15 0.00 -1.18 0.00 0.00 61.69 61.19 2occ s THR 72 Cb 0.02 -2.70 0.34 0.00 1.34 0.00 0.00 72.50 71.50 2occ s THR 72 CO 0.02 -0.09 1.97 -0.65 -0.54 0.00 0.00 174.62 175.33 2occ h PRO 73 N -1.60 0.37 -0.53 3.99 0.11 -1.92 -0.36 132.00 132.05 2occ h PRO 73 Ca -0.52 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 2occ h PRO 73 Cb 1.32 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2occ h PRO 73 CO 0.59 0.24 -0.06 0.00 -0.21 0.00 0.00 178.00 178.57 2occ h ALA 74 N 1.69 0.90 -0.24 -0.75 0.00 -1.92 -2.36 119.26 116.59 2occ h ALA 74 Ca 0.29 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2occ h ALA 74 Cb 0.62 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2occ h ALA 74 CO -0.08 0.64 -0.53 0.28 0.00 0.00 0.00 179.25 179.57 2occ h VAL 75 N 0.86 1.30 -0.63 0.00 2.07 -1.34 -3.06 116.25 115.45 2occ h VAL 75 Ca 0.15 -1.75 -0.08 0.00 0.82 0.00 0.00 66.70 65.84 2occ h VAL 75 Cb 0.59 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 2occ h VAL 75 CO 0.04 0.55 0.07 1.56 0.02 0.00 0.00 177.57 179.81 2occ h GLN 76 N 0.53 1.06 -0.66 1.57 4.20 -1.18 -2.62 115.11 118.02 2occ h GLN 76 Ca 0.02 -0.30 0.03 0.00 0.06 0.00 0.00 58.65 58.46 2occ h GLN 76 Cb 1.09 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.71 2occ h GLN 76 CO 0.11 1.00 0.41 -0.22 -0.67 0.00 0.00 178.83 179.45 2occ h LYS 77 N 0.99 0.78 -0.66 1.46 3.64 -1.41 -1.79 116.57 119.58 2occ h LYS 77 Ca 0.19 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2occ h LYS 77 Cb 0.48 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2occ h LYS 77 CO 0.02 0.51 0.31 0.78 -2.27 0.00 0.00 179.45 178.80 2occ h GLY 78 N 0.80 1.01 1.67 5.01 0.00 -1.39 -2.02 103.07 108.14 2occ h GLY 78 Ca 0.27 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 2occ h GLY 78 CO -0.11 0.46 -0.19 1.41 0.00 0.00 0.00 176.54 178.11 2occ h LEU 79 N 0.94 0.38 -0.15 3.11 3.38 -1.03 -0.50 115.31 121.44 2occ h LEU 79 Ca 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2occ h LEU 79 Cb 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2occ h LEU 79 CO -0.03 0.60 0.05 0.03 0.09 0.00 0.00 178.44 179.17 2occ h ARG 80 N 0.36 0.23 -0.16 1.13 3.08 -0.62 -0.89 114.38 117.51 2occ h ARG 80 Ca 0.06 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.08 2occ h ARG 80 Cb 0.55 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2occ h ARG 80 CO 0.04 0.36 0.04 1.88 -1.07 0.00 0.00 179.97 181.21 2occ h TYR 81 N 0.06 0.07 -0.72 3.04 0.05 -1.20 -0.95 116.97 117.32 2occ h TYR 81 Ca 0.05 0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.92 2occ h TYR 81 Cb 0.22 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 37.89 2occ h TYR 81 CO -0.00 0.03 0.39 0.78 -1.05 0.00 0.00 178.16 178.31 2occ h GLY 82 N 0.11 1.08 0.97 3.88 0.00 -0.89 0.56 103.07 108.78 2occ h GLY 82 Ca 0.07 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 2occ h GLY 82 CO -0.09 0.11 -0.13 1.98 0.00 0.00 0.00 176.54 178.41 2occ h MET 83 N 0.68 0.73 -0.23 4.80 1.85 -0.89 -1.21 114.93 120.65 2occ h MET 83 Ca 0.34 -0.30 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 2occ h MET 83 Cb 0.30 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.28 2occ h MET 83 CO -0.23 0.90 0.15 0.82 -0.40 0.00 0.00 176.91 178.15 2occ h ILE 84 N 0.53 1.05 -0.56 1.77 2.04 -0.58 -1.20 117.51 120.56 2occ h ILE 84 Ca 0.09 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2occ h ILE 84 Cb 0.66 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2occ h ILE 84 CO 0.04 0.06 0.27 -0.07 0.00 0.00 0.00 178.15 178.45 2occ h LEU 85 N 0.31 0.70 -0.42 1.44 4.07 -0.85 -2.47 115.31 118.09 2occ h LEU 85 Ca 0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 2occ h LEU 85 Cb -0.03 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 2occ h LEU 85 CO -0.02 0.59 0.17 0.15 -1.08 0.00 0.00 178.44 178.25 2occ h PHE 86 N 0.78 0.64 -0.87 1.13 3.57 -0.09 -2.78 116.94 119.31 2occ h PHE 86 Ca 0.19 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2occ h PHE 86 Cb 0.08 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 2occ h PHE 86 CO 0.01 0.56 0.48 0.82 -2.23 0.00 0.00 178.31 177.94 2occ h ILE 87 N 0.54 1.25 -0.38 1.41 2.04 -0.88 -2.34 117.51 119.14 2occ h ILE 87 Ca 0.14 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.41 2occ h ILE 87 Cb 0.19 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 2occ h ILE 87 CO -0.01 0.28 0.17 0.40 0.00 0.00 0.00 178.15 179.00 2occ h ILE 88 N 1.22 0.95 -0.17 -0.67 2.04 -1.30 0.13 117.51 119.71 2occ h ILE 88 Ca 0.31 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.98 2occ h ILE 88 Cb 0.02 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2occ h ILE 88 CO -0.05 0.07 -0.16 0.77 0.00 0.00 0.00 178.15 178.77 2occ h SER 89 N 0.36 0.27 -0.44 1.72 4.64 -1.19 -1.39 113.55 117.51 2occ h SER 89 Ca 0.16 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 2occ h SER 89 Cb 0.09 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2occ h SER 89 CO -0.13 0.46 -0.07 -0.33 -0.87 0.00 0.00 176.83 175.89 2occ h GLU 90 N 0.26 0.88 -0.65 4.77 4.39 -0.53 -1.64 114.58 122.05 2occ h GLU 90 Ca 0.05 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 2occ h GLU 90 Cb 0.45 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 2occ h GLU 90 CO 0.03 0.92 0.31 0.28 -1.16 0.00 0.00 179.01 179.40 2occ h VAL 91 N 0.80 1.22 -0.09 3.13 2.07 0.16 -1.26 116.25 122.29 2occ h VAL 91 Ca 0.14 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 2occ h VAL 91 Cb 0.58 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2occ h VAL 91 CO 0.04 0.26 -0.33 -0.07 0.02 0.00 0.00 177.57 177.49 2occ h LEU 92 N 0.90 0.18 0.15 2.57 4.07 -1.00 -0.58 115.31 121.61 2occ h LEU 92 Ca 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 2occ h LEU 92 Cb 0.12 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.81 2occ h LEU 92 CO -0.03 0.50 -0.07 0.15 -1.08 0.00 0.00 178.44 177.91 2occ h PHE 93 N 0.16 -0.19 0.00 1.13 3.57 -0.65 -1.05 116.94 119.90 2occ h PHE 93 Ca 0.02 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2occ h PHE 93 Cb 0.66 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 2occ h PHE 93 CO 0.01 -0.03 -0.07 0.74 -2.23 0.00 0.00 178.31 176.73 2occ h PHE 94 N -0.32 0.00 -0.16 0.41 0.04 -0.95 -1.66 116.94 114.30 2occ h PHE 94 Ca -0.02 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 2occ h PHE 94 Cb 0.25 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 2occ h PHE 94 CO -0.03 0.07 -0.18 1.15 -0.60 0.00 0.00 178.31 178.72 2occ h THR 95 N 0.00 1.21 -0.75 -1.55 2.02 0.23 -2.22 112.91 111.85 2occ h THR 95 Ca -0.00 -0.95 -0.06 0.00 0.77 0.00 0.00 66.41 66.17 2occ h THR 95 Cb 0.21 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2occ h THR 95 CO 0.01 0.29 0.24 1.23 0.37 0.00 0.00 175.52 177.66 2occ h GLY 96 N 0.86 1.26 1.49 2.16 0.00 -0.98 -1.64 103.07 106.22 2occ h GLY 96 Ca 0.05 -0.74 -0.13 0.00 0.00 0.00 0.00 47.33 46.50 2occ h GLY 96 CO 0.03 0.69 -0.40 0.74 0.00 0.00 0.00 176.54 177.61 2occ h PHE 97 N 1.12 0.67 -0.10 5.60 0.04 -1.51 -1.94 116.94 120.82 2occ h PHE 97 Ca 0.24 -0.19 -0.15 0.00 2.80 0.00 0.00 57.97 60.67 2occ h PHE 97 Cb 0.31 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 2occ h PHE 97 CO 0.03 0.87 -0.60 0.74 -0.60 0.00 0.00 178.31 178.75 2occ h PHE 98 N 0.46 0.42 0.05 -0.55 0.04 -1.28 -1.72 116.94 114.37 2occ h PHE 98 Ca 0.04 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 2occ h PHE 98 Cb 0.90 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.97 2occ h PHE 98 CO 0.04 0.85 -0.02 2.35 -0.60 0.00 0.00 178.31 180.92 2occ h TRP 99 N 0.24 -0.06 -0.36 -0.55 2.91 -1.12 -0.61 115.95 116.40 2occ h TRP 99 Ca -0.01 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.06 2occ h TRP 99 Cb 1.12 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.75 2occ h TRP 99 CO 0.03 0.01 0.10 0.00 -1.03 0.00 0.00 178.44 177.55 2occ h ALA 100 N 0.83 0.41 -0.05 2.65 0.00 -1.18 0.16 119.26 122.07 2occ h ALA 100 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2occ h ALA 100 Cb 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2occ h ALA 100 CO 0.01 -0.30 -0.02 0.35 0.00 0.00 0.00 179.25 179.30 2occ h PHE 101 N 0.24 -0.04 -0.22 0.00 3.57 -1.07 -0.58 116.94 118.84 2occ h PHE 101 Ca 0.17 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 2occ h PHE 101 Cb 0.17 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2occ h PHE 101 CO -0.16 -0.03 -0.14 1.88 -2.23 0.00 0.00 178.31 177.62 2occ h TYR 102 N -0.01 0.38 -0.50 0.41 0.05 -0.83 0.94 116.97 117.41 2occ h TYR 102 Ca 0.03 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 2occ h TYR 102 Cb 0.05 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 2occ h TYR 102 CO -0.12 0.49 -0.06 1.25 -1.05 0.00 0.00 178.16 178.67 2occ h HIS 103 N 0.33 1.02 -0.04 4.88 2.76 0.07 -2.37 115.15 121.80 2occ h HIS 103 Ca 0.06 -0.20 -0.12 0.00 -2.20 0.00 0.00 60.37 57.91 2occ h HIS 103 Cb 0.45 -0.26 0.01 0.00 1.55 0.00 0.00 27.41 29.16 2occ h HIS 103 CO 0.01 0.97 -0.44 0.77 -1.30 0.00 0.00 177.93 177.94 2occ h SER 104 N 0.78 0.45 1.17 3.26 0.02 -0.71 -3.24 113.55 115.28 2occ h SER 104 Ca 0.13 -0.71 -0.04 0.00 -0.84 0.00 0.00 61.79 60.33 2occ h SER 104 Cb 0.61 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2occ h SER 104 CO 0.04 1.10 -0.17 0.77 -1.14 0.00 0.00 176.83 177.42 2occ h SER 105 N -0.15 0.00 0.89 3.07 4.64 -0.87 -3.06 113.55 118.07 2occ h SER 105 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2occ h SER 105 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2occ h SER 105 CO 0.09 0.17 -0.87 -0.07 -0.87 0.00 0.00 176.83 175.28 2occ h LEU 106 N 0.00 0.00 -5.88 5.97 3.38 -1.55 -3.39 115.31 113.85 2occ h LEU 106 Ca -0.00 -0.12 -0.52 0.00 0.09 0.00 0.00 57.88 57.33 2occ h LEU 106 Cb 0.80 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.15 2occ h LEU 106 CO 0.02 0.06 -1.04 0.00 0.09 0.00 0.00 178.44 177.57 2occ n ALA 107 N -2.02 2.71 -1.69 1.53 0.00 -1.22 -5.10 120.51 114.73 2occ n ALA 107 Ca 0.01 -3.73 -0.44 0.00 0.00 0.00 0.00 53.44 49.28 2occ n ALA 107 Cb 0.50 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 2occ n ALA 107 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2occ n PRO 108 N 0.42 2.53 -1.55 0.00 -0.04 -1.16 -4.86 135.00 130.34 2occ n PRO 108 Ca 0.26 0.92 -0.30 0.00 -0.04 0.00 0.00 63.50 64.33 2occ n PRO 108 Cb 0.57 -2.77 0.08 0.00 -0.04 0.00 0.00 33.50 31.34 2occ n PRO 108 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2occ s THR 109 N 2.38 3.32 0.33 0.52 -4.23 -1.26 -4.45 115.64 112.24 2occ s THR 109 Ca 0.82 0.43 0.03 0.00 -1.18 0.00 0.00 61.69 61.80 2occ s THR 109 Cb -0.57 -3.17 0.29 0.00 1.34 0.00 0.00 72.50 70.39 2occ s THR 109 CO 0.39 -0.56 1.92 -0.65 -0.54 0.00 0.00 174.62 175.18 2occ h PRO 110 N -1.00 0.88 0.00 3.99 0.11 -1.93 -2.01 132.00 132.04 2occ h PRO 110 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2occ h PRO 110 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2occ h PRO 110 CO 0.58 0.58 0.00 0.39 -0.21 0.00 0.00 178.00 179.35 2occ n GLU 111 N -4.50 0.18 -0.00 1.05 4.71 -1.26 -1.02 120.64 119.79 2occ n GLU 111 Ca 0.13 0.13 0.07 0.00 -0.01 0.00 0.00 57.16 57.49 2occ n GLU 111 Cb 0.25 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 29.07 2occ n GLU 111 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2occ n LEU 112 N -1.18 0.25 0.00 -4.62 4.32 -0.80 -4.96 117.00 110.02 2occ n LEU 112 Ca 0.05 -0.18 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 2occ n LEU 112 Cb 0.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 2occ n LEU 112 CO 0.06 0.06 0.00 0.61 -1.22 0.00 0.00 177.39 176.90 2occ n GLY 113 N 1.53 1.01 2.30 -0.72 0.00 -0.19 -2.00 105.19 107.13 2occ n GLY 113 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2occ n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2occ n GLY 114 N -0.90 -0.03 3.29 -0.02 0.00 -0.95 -4.97 105.19 101.61 2occ n GLY 114 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 2occ n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2occ s TRP 116 N -3.89 1.12 0.64 0.00 -0.11 -1.26 -3.44 118.94 111.99 2occ s TRP 116 Ca 0.09 -0.35 -0.15 0.00 1.22 0.00 0.00 56.10 56.90 2occ s TRP 116 Cb 0.03 -0.84 -0.01 0.00 -1.50 0.00 0.00 33.47 31.15 2occ s TRP 116 CO -0.07 -0.20 1.09 -1.25 -4.62 0.00 0.00 176.95 171.90 2occ s PRO 117 N 0.58 2.97 0.56 5.86 0.04 -1.26 -4.94 135.00 138.82 2occ s PRO 117 Ca -0.10 1.33 -0.18 0.00 0.04 0.00 0.00 61.00 62.08 2occ s PRO 117 Cb -0.13 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 2occ s PRO 117 CO 0.02 -1.11 0.60 -2.30 0.04 0.00 0.00 177.00 174.25 2occ n PRO 118 N -2.30 0.58 -2.07 0.56 -0.02 -1.22 -4.89 135.00 125.64 2occ n PRO 118 Ca 0.10 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 2occ n PRO 118 Cb 0.52 -1.76 -0.02 0.00 -0.02 0.00 0.00 33.50 32.22 2occ n PRO 118 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2occ s THR 119 N -1.67 2.62 0.00 3.45 -4.23 -0.85 -2.46 115.64 112.50 2occ s THR 119 Ca 0.69 0.61 0.00 0.00 -1.18 0.00 0.00 61.69 61.81 2occ s THR 119 Cb -0.45 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.01 2occ s THR 119 CO 0.53 0.14 0.00 0.61 -0.54 0.00 0.00 174.62 175.36 2occ n GLY 120 N 0.73 0.23 3.69 3.99 0.00 -1.26 -5.00 105.19 107.58 2occ n GLY 120 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2occ n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2occ s ILE 121 N -2.08 5.26 -0.45 -0.61 -1.09 -1.03 -5.06 121.20 116.14 2occ s ILE 121 Ca 0.00 0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.55 2occ s ILE 121 Cb 0.00 -3.41 0.12 0.00 -1.58 0.00 0.00 42.46 37.59 2occ s ILE 121 CO 0.00 0.42 0.23 -1.00 -1.23 0.00 0.00 174.94 173.36 2occ s HIS 122 N 0.58 3.55 0.72 3.97 3.76 -1.26 -4.90 115.29 121.71 2occ s HIS 122 Ca 0.07 -2.66 -0.14 0.00 -0.15 0.00 0.00 55.06 52.17 2occ s HIS 122 Cb -0.12 -3.13 0.03 0.00 1.11 0.00 0.00 32.58 30.47 2occ s HIS 122 CO 0.00 -0.92 1.16 -1.25 -0.85 0.00 0.00 174.74 172.88 2occ s PRO 123 N 0.70 2.33 0.72 8.40 0.04 -1.26 -4.77 135.00 141.16 2occ s PRO 123 Ca 0.11 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 62.60 2occ s PRO 123 Cb -0.22 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2occ s PRO 123 CO -0.04 -1.65 1.13 -0.51 0.04 0.00 0.00 177.00 175.96 2occ s LEU 124 N -5.16 3.25 -0.25 -3.56 1.43 -1.26 -4.99 118.68 108.15 2occ s LEU 124 Ca 0.70 2.05 -0.24 0.00 -1.03 0.00 0.00 54.13 55.62 2occ s LEU 124 Cb -0.25 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.41 2occ s LEU 124 CO 0.45 -1.97 0.81 0.21 0.23 0.00 0.00 176.35 176.08 2occ s ASN 125 N -2.64 6.81 0.40 2.29 3.84 -1.26 -4.92 114.94 119.47 2occ s ASN 125 Ca 0.67 1.00 0.28 0.00 0.21 0.00 0.00 52.86 55.02 2occ s ASN 125 Cb -0.22 -2.43 1.46 0.00 -0.55 0.00 0.00 41.25 39.52 2occ s ASN 125 CO 0.47 -0.51 1.84 1.55 -2.79 0.00 0.00 177.10 177.66 2occ h PRO 126 N 7.71 0.00 -0.01 0.43 0.13 -1.94 -2.06 132.00 136.27 2occ h PRO 126 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2occ h PRO 126 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2occ h PRO 126 CO 0.87 0.00 -0.03 1.28 -0.23 0.00 0.00 178.00 179.89 2occ n LEU 127 N -2.47 0.97 0.00 1.56 4.77 -1.26 -2.64 117.00 117.93 2occ n LEU 127 Ca -0.01 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2occ n LEU 127 Cb 0.07 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2occ n LEU 127 CO 0.13 0.16 0.00 -0.62 -1.33 0.00 0.00 177.39 175.74 2occ n GLU 128 N -0.31 0.00 -0.28 3.23 1.02 -0.78 -4.66 120.64 118.87 2occ n GLU 128 Ca 0.19 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.39 2occ n GLU 128 Cb 0.28 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.90 2occ n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2occ h VAL 129 N 0.00 0.75 -0.29 2.62 2.07 -1.87 -0.17 116.25 119.36 2occ h VAL 129 Ca 0.00 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.40 2occ h VAL 129 Cb 0.00 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2occ h VAL 129 CO 0.00 0.11 0.21 -0.65 0.02 0.00 0.00 177.57 177.26 2occ h PRO 130 N 0.60 0.00 -0.25 1.57 0.11 -1.77 0.22 132.00 132.49 2occ h PRO 130 Ca 0.43 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.34 2occ h PRO 130 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2occ h PRO 130 CO -0.34 0.00 -0.62 1.25 -0.21 0.00 0.00 178.00 178.07 2occ h LEU 131 N 0.00 0.97 0.39 2.35 6.46 -0.79 -2.20 115.31 122.49 2occ h LEU 131 Ca 0.14 -0.56 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 2occ h LEU 131 Cb 0.56 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2occ h LEU 131 CO -0.00 1.36 -0.25 0.25 -0.62 0.00 0.00 178.44 179.19 2occ h LEU 132 N 0.63 -0.62 -1.27 2.25 6.46 -0.36 -0.88 115.31 121.51 2occ h LEU 132 Ca -0.01 0.04 0.17 0.00 -0.12 0.00 0.00 57.88 57.96 2occ h LEU 132 Cb 1.24 0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 41.28 2occ h LEU 132 CO 0.14 -0.39 0.59 0.78 -0.62 0.00 0.00 178.44 178.94 2occ h ASN 133 N -0.61 0.63 -0.31 1.25 2.35 -0.85 0.21 115.58 118.26 2occ h ASN 133 Ca -0.04 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 2occ h ASN 133 Cb 0.51 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2occ h ASN 133 CO 0.04 0.28 0.06 0.74 -1.65 0.00 0.00 177.43 176.90 2occ h THR 134 N 0.65 1.22 -0.05 2.81 2.02 -0.71 -1.97 112.91 116.89 2occ h THR 134 Ca 0.49 -0.76 -0.13 0.00 0.77 0.00 0.00 66.41 66.78 2occ h THR 134 Cb 0.88 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2occ h THR 134 CO -0.24 0.25 -0.56 0.77 0.37 0.00 0.00 175.52 176.11 2occ h SER 135 N 0.33 0.16 -0.26 4.18 4.64 0.32 -2.04 113.55 120.88 2occ h SER 135 Ca 0.10 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 2occ h SER 135 Cb 0.31 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2occ h SER 135 CO 0.00 0.69 0.06 0.58 -0.87 0.00 0.00 176.83 177.29 2occ h VAL 136 N 0.11 1.22 -0.38 0.95 2.07 -0.51 -1.46 116.25 118.25 2occ h VAL 136 Ca -0.00 -0.73 -0.16 0.00 0.82 0.00 0.00 66.70 66.63 2occ h VAL 136 Cb 1.02 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2occ h VAL 136 CO 0.08 0.23 -0.38 -0.07 0.02 0.00 0.00 177.57 177.46 2occ h LEU 137 N 0.25 0.98 -0.82 2.57 4.07 -1.26 -2.34 115.31 118.75 2occ h LEU 137 Ca 0.08 -0.44 -0.10 0.00 0.08 0.00 0.00 57.88 57.50 2occ h LEU 137 Cb 0.30 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2occ h LEU 137 CO 0.00 1.24 -0.21 -0.07 -1.08 0.00 0.00 178.44 178.32 2occ h LEU 138 N 0.75 0.65 -1.09 1.67 3.38 -1.36 -2.42 115.31 116.89 2occ h LEU 138 Ca 0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2occ h LEU 138 Cb 0.97 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2occ h LEU 138 CO 0.09 0.86 0.13 0.00 0.09 0.00 0.00 178.44 179.60 2occ h ALA 139 N 1.20 1.26 0.00 1.53 0.00 -1.12 -1.51 119.26 120.62 2occ h ALA 139 Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2occ h ALA 139 Cb 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2occ h ALA 139 CO 0.05 0.52 0.00 0.66 0.00 0.00 0.00 179.25 180.48 2occ h SER 140 N 0.75 0.00 0.59 0.00 4.64 -1.00 -1.43 113.55 117.09 2occ h SER 140 Ca 0.17 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.34 2occ h SER 140 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2occ h SER 140 CO -0.00 0.00 -0.69 1.23 -0.87 0.00 0.00 176.83 176.49 2occ h GLY 141 N 2.84 0.10 0.33 -0.77 0.00 -0.81 -1.96 103.07 102.80 2occ h GLY 141 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 2occ h GLY 141 CO 0.00 0.13 -0.15 -2.08 0.00 0.00 0.00 176.54 174.43 2occ h VAL 142 N 0.06 1.60 -0.22 4.60 2.07 -1.26 -3.04 116.25 120.06 2occ h VAL 142 Ca -0.01 -1.96 -0.05 0.00 0.82 0.00 0.00 66.70 65.50 2occ h VAL 142 Cb 1.23 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.86 2occ h VAL 142 CO 0.10 0.52 -0.09 0.77 0.02 0.00 0.00 177.57 178.89 2occ h SER 143 N -0.64 0.32 0.47 0.57 4.64 -1.29 -1.54 113.55 116.07 2occ h SER 143 Ca -0.02 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.14 2occ h SER 143 Cb 0.94 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 2occ h SER 143 CO 0.03 0.45 -0.47 -0.29 -0.87 0.00 0.00 176.83 175.68 2occ h ILE 144 N 0.33 1.34 -0.05 0.95 2.10 -1.42 -1.37 117.51 119.38 2occ h ILE 144 Ca 0.07 -1.60 -0.15 0.00 1.08 0.00 0.00 64.86 64.26 2occ h ILE 144 Cb 0.36 1.86 -0.01 0.00 -1.09 0.00 0.00 36.82 37.94 2occ h ILE 144 CO 0.02 0.46 -0.64 0.74 -1.08 0.00 0.00 178.15 177.65 2occ h THR 145 N 0.00 1.41 -0.43 2.19 2.02 -1.19 -1.26 112.91 115.66 2occ h THR 145 Ca -0.00 -2.09 -0.11 0.00 0.77 0.00 0.00 66.41 64.97 2occ h THR 145 Cb 0.83 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 2occ h THR 145 CO 0.06 0.61 -0.18 -0.25 0.37 0.00 0.00 175.52 176.13 2occ h TRP 146 N 0.13 1.01 -0.35 3.16 7.01 -0.77 -2.48 115.95 123.66 2occ h TRP 146 Ca -0.01 -0.24 0.05 0.00 2.11 0.00 0.00 58.89 60.80 2occ h TRP 146 Cb 1.15 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.93 2occ h TRP 146 CO 0.02 1.02 0.09 0.00 -2.79 0.00 0.00 178.44 176.78 2occ h ALA 147 N 0.84 0.39 -0.66 2.65 0.00 -1.03 0.93 119.26 122.38 2occ h ALA 147 Ca 0.10 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2occ h ALA 147 Cb 0.74 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2occ h ALA 147 CO 0.06 -0.31 0.40 1.25 0.00 0.00 0.00 179.25 180.65 2occ h HIS 148 N 0.22 0.76 -0.26 0.00 -0.00 -1.11 -0.83 115.15 113.93 2occ h HIS 148 Ca 0.16 0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.39 2occ h HIS 148 Cb 0.17 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 2occ h HIS 148 CO -0.17 0.43 -0.48 0.45 -0.00 0.00 0.00 177.93 178.15 2occ h HIS 149 N 0.79 0.86 -0.59 5.26 -0.00 -0.90 -1.82 115.15 118.75 2occ h HIS 149 Ca 0.27 -0.28 0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2occ h HIS 149 Cb 0.04 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.24 2occ h HIS 149 CO -0.05 1.05 0.38 0.77 -0.00 0.00 0.00 177.93 180.08 2occ h SER 150 N 0.56 0.65 -0.10 2.45 0.02 -0.45 -1.32 113.55 115.36 2occ h SER 150 Ca 0.03 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2occ h SER 150 Cb 1.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2occ h SER 150 CO 0.10 0.47 0.04 0.25 -1.14 0.00 0.00 176.83 176.54 2occ h LEU 151 N 0.77 0.05 -1.88 5.07 5.85 -0.89 -0.45 115.31 123.84 2occ h LEU 151 Ca 0.22 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2occ h LEU 151 Cb -0.06 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 2occ h LEU 151 CO -0.06 0.04 -0.11 0.24 -0.34 0.00 0.00 178.44 178.21 2occ h MET 152 N 0.09 0.00 -0.12 1.25 2.86 -1.07 -0.95 114.93 116.98 2occ h MET 152 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2occ h MET 152 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2occ h MET 152 CO -0.04 0.11 0.00 0.39 1.06 0.00 0.00 176.91 178.43 2occ n GLU 153 N -3.53 1.83 -1.04 1.72 1.02 -0.52 -4.91 120.64 115.21 2occ n GLU 153 Ca -0.01 -1.22 -0.01 0.00 -0.02 0.00 0.00 57.16 55.89 2occ n GLU 153 Cb 0.25 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 2occ n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2occ n GLY 154 N 1.20 0.52 3.43 0.62 0.00 -0.36 -4.99 105.19 105.60 2occ n GLY 154 Ca 0.17 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 2occ n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2occ s ASP 155 N -2.53 6.28 0.09 1.61 -1.08 -0.26 -4.92 116.67 115.86 2occ s ASP 155 Ca 0.00 -1.36 -0.21 0.00 -0.52 0.00 0.00 52.55 50.46 2occ s ASP 155 Cb 0.00 -2.38 -0.10 0.00 -1.46 0.00 0.00 42.92 38.98 2occ s ASP 155 CO 0.00 -1.26 1.66 -0.09 0.52 0.00 0.00 175.17 176.00 2occ h ARG 156 N 9.28 0.22 -0.28 4.34 2.43 -1.94 -1.90 114.38 126.53 2occ h ARG 156 Ca -0.19 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.96 2occ h ARG 156 Cb 1.06 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 2occ h ARG 156 CO 1.14 0.26 0.15 -0.22 -1.51 0.00 0.00 179.97 179.79 2occ h LYS 157 N 0.12 0.31 -0.24 0.20 3.64 -1.98 -1.03 116.57 117.59 2occ h LYS 157 Ca 0.05 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 2occ h LYS 157 Cb 0.11 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2occ h LYS 157 CO -0.01 0.21 -0.51 0.45 -2.27 0.00 0.00 179.45 177.32 2occ h HIS 158 N 0.32 0.84 -0.25 1.91 3.86 -1.96 0.22 115.15 120.09 2occ h HIS 158 Ca 0.11 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 59.04 2occ h HIS 158 Cb 0.01 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 2occ h HIS 158 CO -0.08 1.05 0.15 1.98 0.86 0.00 0.00 177.93 181.88 2occ h MET 159 N 0.53 0.35 -0.61 2.45 1.85 -1.22 0.26 114.93 118.54 2occ h MET 159 Ca 0.02 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.03 2occ h MET 159 Cb 1.07 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 33.00 2occ h MET 159 CO 0.10 0.29 0.19 -0.07 -0.40 0.00 0.00 176.91 177.03 2occ h LEU 160 N 0.31 0.86 -0.08 3.39 4.07 -0.99 -0.05 115.31 122.81 2occ h LEU 160 Ca 0.09 -0.14 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 2occ h LEU 160 Cb 0.04 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 2occ h LEU 160 CO -0.02 0.81 -0.05 -0.61 -1.08 0.00 0.00 178.44 177.49 2occ h GLN 161 N 0.90 0.18 -0.47 1.13 4.15 0.37 -1.81 115.11 119.56 2occ h GLN 161 Ca 0.20 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.47 2occ h GLN 161 Cb 0.25 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2occ h GLN 161 CO -0.01 0.56 0.03 0.00 -1.93 0.00 0.00 178.83 177.48 2occ h ALA 162 N 0.62 1.16 -0.36 3.38 0.00 -0.33 -1.94 119.26 121.78 2occ h ALA 162 Ca 0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2occ h ALA 162 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2occ h ALA 162 CO 0.01 0.55 -0.15 1.25 0.00 0.00 0.00 179.25 180.92 2occ h LEU 163 N 0.72 0.64 -0.35 0.00 6.46 -0.98 -2.21 115.31 119.60 2occ h LEU 163 Ca 0.15 -0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 57.67 2occ h LEU 163 Cb 0.41 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2occ h LEU 163 CO 0.01 0.81 0.06 0.15 -0.62 0.00 0.00 178.44 178.85 2occ h PHE 164 N 0.59 0.60 -0.80 1.25 3.57 -0.61 -2.05 116.94 119.50 2occ h PHE 164 Ca 0.10 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2occ h PHE 164 Cb 0.59 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 2occ h PHE 164 CO 0.03 0.63 0.49 0.82 -2.23 0.00 0.00 178.31 178.04 2occ h ILE 165 N 0.41 1.22 -0.31 1.41 2.04 -1.23 -1.40 117.51 119.65 2occ h ILE 165 Ca 0.11 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.50 2occ h ILE 165 Cb 0.34 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2occ h ILE 165 CO 0.01 0.23 0.18 0.74 0.00 0.00 0.00 178.15 179.31 2occ h THR 166 N 1.10 1.03 -0.28 -0.27 2.02 -1.25 -1.29 112.91 113.97 2occ h THR 166 Ca 0.29 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 2occ h THR 166 Cb -0.05 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2occ h THR 166 CO -0.05 0.07 0.11 0.40 0.37 0.00 0.00 175.52 176.41 2occ h ILE 167 N 0.37 1.18 -0.32 3.11 2.04 -1.00 -1.92 117.51 120.97 2occ h ILE 167 Ca 0.12 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 2occ h ILE 167 Cb 0.00 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2occ h ILE 167 CO -0.06 0.18 0.02 0.71 0.00 0.00 0.00 178.15 179.00 2occ h THR 168 N 0.30 1.18 -0.32 -0.27 1.35 -0.98 0.12 112.91 114.30 2occ h THR 168 Ca 0.09 -0.70 -0.09 0.00 -0.55 0.00 0.00 66.41 65.15 2occ h THR 168 Cb 0.18 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 67.51 2occ h THR 168 CO -0.01 0.24 -0.20 -0.07 -0.25 0.00 0.00 175.52 175.24 2occ h LEU 169 N 0.47 0.59 -0.44 3.87 3.38 -1.00 0.25 115.31 122.43 2occ h LEU 169 Ca 0.11 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 2occ h LEU 169 Cb 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2occ h LEU 169 CO 0.01 0.79 -0.37 1.23 0.09 0.00 0.00 178.44 180.19 2occ h GLY 170 N 0.99 0.98 1.07 0.83 0.00 -0.42 -0.56 103.07 105.95 2occ h GLY 170 Ca 0.08 -0.98 -0.11 0.00 0.00 0.00 0.00 47.33 46.32 2occ h GLY 170 CO 0.05 0.89 -0.13 -2.08 0.00 0.00 0.00 176.54 175.26 2occ h VAL 171 N 0.74 1.27 -0.84 4.60 2.07 -0.70 -2.09 116.25 121.29 2occ h VAL 171 Ca 0.06 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.33 2occ h VAL 171 Cb 0.95 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 2occ h VAL 171 CO 0.09 0.44 0.55 0.22 0.02 0.00 0.00 177.57 178.89 2occ h TYR 172 N 0.82 1.04 -0.78 1.57 3.20 -0.25 -0.75 116.97 121.82 2occ h TYR 172 Ca 0.12 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 2occ h TYR 172 Cb 0.69 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2occ h TYR 172 CO 0.05 0.62 0.29 0.35 -1.64 0.00 0.00 178.16 177.84 2occ h PHE 173 N 1.10 1.21 -0.63 -3.82 3.04 -0.78 -1.22 116.94 115.83 2occ h PHE 173 Ca 0.32 -0.10 -0.03 0.00 3.98 0.00 0.00 57.97 62.15 2occ h PHE 173 Cb -0.06 -0.36 -0.03 0.00 2.56 0.00 0.00 35.95 38.07 2occ h PHE 173 CO -0.02 0.92 0.28 1.15 -2.02 0.00 0.00 178.31 178.63 2occ h THR 174 N 1.14 1.22 -0.15 4.41 2.02 -0.60 0.75 112.91 121.70 2occ h THR 174 Ca 0.26 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 2occ h THR 174 Cb 0.24 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2occ h THR 174 CO -0.02 0.26 -0.05 -0.07 0.37 0.00 0.00 175.52 176.02 2occ h LEU 175 N 0.87 0.30 -0.93 2.58 3.38 -0.98 -0.74 115.31 119.79 2occ h LEU 175 Ca 0.21 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2occ h LEU 175 Cb 0.15 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2occ h LEU 175 CO -0.02 0.61 0.60 -0.07 0.09 0.00 0.00 178.44 179.65 2occ h LEU 176 N -0.01 0.96 -0.79 1.67 3.38 -1.08 -0.91 115.31 118.53 2occ h LEU 176 Ca 0.04 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2occ h LEU 176 Cb 0.49 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2occ h LEU 176 CO 0.02 0.62 -0.40 -0.61 0.09 0.00 0.00 178.44 178.16 2occ h GLN 177 N 1.10 0.43 -0.59 1.13 5.75 -0.70 -2.08 115.11 120.16 2occ h GLN 177 Ca 0.40 -0.21 -0.06 0.00 -0.15 0.00 0.00 58.65 58.63 2occ h GLN 177 Cb 0.13 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 2occ h GLN 177 CO -0.16 0.76 0.15 0.00 -2.65 0.00 0.00 178.83 176.93 2occ h ALA 178 N 1.21 0.78 0.03 3.38 0.00 0.14 -2.06 119.26 122.74 2occ h ALA 178 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2occ h ALA 178 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2occ h ALA 178 CO 0.07 0.49 -0.05 1.03 0.00 0.00 0.00 179.25 180.79 2occ h SER 179 N 0.86 -0.12 -0.89 0.00 0.87 -1.02 -2.46 113.55 110.79 2occ h SER 179 Ca 0.19 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 2occ h SER 179 Cb 0.35 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.29 2occ h SER 179 CO 0.00 -0.07 0.54 -0.33 -0.53 0.00 0.00 176.83 176.44 2occ h GLU 180 N -0.09 0.89 -0.72 2.24 4.39 -1.23 0.03 114.58 120.08 2occ h GLU 180 Ca 0.01 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.69 2occ h GLU 180 Cb 0.10 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 2occ h GLU 180 CO -0.03 0.59 0.46 1.88 -1.16 0.00 0.00 179.01 180.75 2occ h TYR 181 N 0.92 0.85 -0.29 4.33 -1.99 -1.04 -0.64 116.97 119.12 2occ h TYR 181 Ca 0.42 0.02 -0.19 0.00 2.00 0.00 0.00 58.73 60.98 2occ h TYR 181 Cb 0.33 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.78 2occ h TYR 181 CO -0.04 0.49 -0.55 -0.92 -0.00 0.00 0.00 178.16 177.14 2occ h TYR 182 N 0.89 1.12 0.00 4.88 3.20 -0.82 -3.23 116.97 123.01 2occ h TYR 182 Ca 0.29 -0.40 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2occ h TYR 182 Cb 0.02 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.08 2occ h TYR 182 CO -0.04 1.24 0.00 0.93 -1.64 0.00 0.00 178.16 178.65 2occ h GLU 183 N 0.68 0.00 -6.64 1.82 4.39 -0.69 -3.46 114.58 110.68 2occ h GLU 183 Ca 0.01 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.19 2occ h GLU 183 Cb 1.17 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.87 2occ h GLU 183 CO 0.12 0.00 0.94 0.00 -1.16 0.00 0.00 179.01 178.91 2occ s ALA 184 N -3.27 3.85 -0.89 3.43 0.00 -0.28 -4.90 121.76 119.70 2occ s ALA 184 Ca 0.07 1.48 0.22 0.00 0.00 0.00 0.00 51.96 53.72 2occ s ALA 184 Cb 0.09 -3.66 0.90 0.00 0.00 0.00 0.00 23.12 20.45 2occ s ALA 184 CO 0.56 -0.85 1.69 -0.35 0.00 0.00 0.00 175.76 176.81 2occ n PRO 185 N 3.90 0.06 -4.37 0.00 -0.04 -1.26 -4.77 135.00 128.53 2occ n PRO 185 Ca 0.15 0.19 -0.24 0.00 -0.04 0.00 0.00 63.50 63.56 2occ n PRO 185 Cb 0.37 -1.59 -0.09 0.00 -0.04 0.00 0.00 33.50 32.15 2occ n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2occ s PHE 186 N -3.06 2.52 0.41 0.54 -0.12 -1.26 -4.95 117.98 112.05 2occ s PHE 186 Ca 0.09 -0.35 0.04 0.00 -0.05 0.00 0.00 56.93 56.65 2occ s PHE 186 Cb 0.13 -1.28 -0.03 0.00 -0.63 0.00 0.00 43.02 41.21 2occ s PHE 186 CO 0.41 0.58 0.11 0.95 -0.05 0.00 0.00 175.22 177.23 2occ s THR 187 N -2.47 0.69 0.50 -4.49 -4.23 -1.26 -5.02 115.64 99.36 2occ s THR 187 Ca 0.33 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.05 2occ s THR 187 Cb -0.03 -2.37 0.27 0.00 1.34 0.00 0.00 72.50 71.71 2occ s THR 187 CO 0.18 0.00 2.12 -0.29 -0.54 0.00 0.00 174.62 176.10 2occ h ILE 188 N 1.78 0.84 -0.04 2.99 2.10 -1.96 -1.38 117.51 121.84 2occ h ILE 188 Ca -0.36 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.32 2occ h ILE 188 Cb 1.27 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 38.15 2occ h ILE 188 CO 0.59 0.07 0.00 -1.54 -1.08 0.00 0.00 178.15 176.19 2occ n SER 189 N -4.15 0.47 -3.43 2.19 3.41 -1.26 -3.33 113.62 107.52 2occ n SER 189 Ca -0.03 -1.41 -0.40 0.00 -0.26 0.00 0.00 58.87 56.78 2occ n SER 189 Cb 0.15 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 2occ n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2occ n ASP 190 N -0.52 8.12 -0.11 4.04 8.00 -0.52 -4.96 116.55 130.61 2occ n ASP 190 Ca 0.17 -2.87 0.00 0.00 0.71 0.00 0.00 54.79 52.80 2occ n ASP 190 Cb 0.15 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.79 2occ n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2occ n GLY 191 N 2.70 0.29 0.24 0.44 0.00 -1.26 -2.20 105.19 105.40 2occ n GLY 191 Ca 0.69 -0.94 0.05 0.00 0.00 0.00 0.00 46.02 45.82 2occ n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2occ h VAL 192 N 0.00 1.12 -0.36 1.61 3.04 -1.92 0.91 116.25 120.65 2occ h VAL 192 Ca 0.00 -0.53 -0.07 0.00 -1.01 0.00 0.00 66.70 65.10 2occ h VAL 192 Cb 0.00 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 2occ h VAL 192 CO 0.00 0.16 -0.04 0.22 -1.01 0.00 0.00 177.57 176.89 2occ h TYR 193 N 0.08 0.73 -0.21 3.17 5.03 -1.96 -0.86 116.97 122.94 2occ h TYR 193 Ca 0.02 -0.14 -0.16 0.00 2.58 0.00 0.00 58.73 61.02 2occ h TYR 193 Cb 0.26 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 2occ h TYR 193 CO 0.00 0.79 -0.53 0.78 -1.32 0.00 0.00 178.16 177.88 2occ h GLY 194 N 0.46 0.68 0.99 1.82 0.00 -0.99 -1.91 103.07 104.12 2occ h GLY 194 Ca 0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 2occ h GLY 194 CO 0.03 0.70 -0.36 1.76 0.00 0.00 0.00 176.54 178.66 2occ h SER 195 N 0.48 -0.86 -0.85 0.19 0.02 -0.68 -2.25 113.55 109.61 2occ h SER 195 Ca 0.01 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 2occ h SER 195 Cb 1.08 0.22 -0.07 0.00 0.14 0.00 0.00 62.40 63.77 2occ h SER 195 CO 0.10 -0.60 0.50 0.74 -1.14 0.00 0.00 176.83 176.43 2occ h THR 196 N -1.04 0.94 -0.02 -2.27 2.02 -1.20 -2.07 112.91 109.29 2occ h THR 196 Ca -0.10 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 2occ h THR 196 Cb 0.78 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2occ h THR 196 CO 0.17 0.16 -0.04 0.15 0.37 0.00 0.00 175.52 176.33 2occ h PHE 197 N 0.86 0.07 0.01 3.16 3.04 -1.32 -3.04 116.94 119.71 2occ h PHE 197 Ca 0.40 -0.03 -0.19 0.00 3.98 0.00 0.00 57.97 62.13 2occ h PHE 197 Cb 0.32 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.80 2occ h PHE 197 CO -0.05 0.64 -0.91 0.74 -2.02 0.00 0.00 178.31 176.72 2occ h PHE 198 N -0.52 0.07 0.22 0.41 0.04 -1.35 -2.22 116.94 113.59 2occ h PHE 198 Ca -0.00 -0.04 -0.33 0.00 2.80 0.00 0.00 57.97 60.40 2occ h PHE 198 Cb 0.64 -0.01 0.04 0.00 2.20 0.00 0.00 35.95 38.82 2occ h PHE 198 CO 0.13 0.92 -1.42 -0.39 -0.60 0.00 0.00 178.31 176.95 2occ h VAL 199 N 0.02 1.29 -0.14 -0.55 -1.51 -1.52 0.10 116.25 113.94 2occ h VAL 199 Ca -0.02 -2.66 -0.03 0.00 -1.23 0.00 0.00 66.70 62.76 2occ h VAL 199 Cb 1.59 2.96 -0.00 0.00 -2.13 0.00 0.00 31.29 33.71 2occ h VAL 199 CO 0.12 0.80 -0.01 0.00 -1.23 0.00 0.00 177.57 177.25 2occ h ALA 200 N 0.20 0.20 0.00 5.19 0.00 -1.64 -0.55 119.26 122.67 2occ h ALA 200 Ca -0.24 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 2occ h ALA 200 Cb 2.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 2occ h ALA 200 CO 0.27 -0.08 -0.51 1.79 0.00 0.00 0.00 179.25 180.71 2occ h THR 201 N -0.01 1.06 -0.42 0.00 1.35 -1.52 -2.63 112.91 110.74 2occ h THR 201 Ca 0.04 -1.98 -0.09 0.00 -0.55 0.00 0.00 66.41 63.83 2occ h THR 201 Cb 0.41 2.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 2occ h THR 201 CO 0.01 0.50 -0.08 1.23 -0.25 0.00 0.00 175.52 176.93 2occ h GLY 202 N 2.44 0.86 1.24 5.82 0.00 -0.58 0.29 103.07 113.15 2occ h GLY 202 Ca -0.01 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.53 2occ h GLY 202 CO 0.07 0.64 -0.11 0.74 0.00 0.00 0.00 176.54 177.88 2occ h PHE 203 N 0.62 0.99 -0.51 5.60 0.04 -1.03 -0.66 116.94 121.98 2occ h PHE 203 Ca 0.11 -0.19 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 2occ h PHE 203 Cb 0.60 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 2occ h PHE 203 CO 0.05 0.94 0.12 1.25 -0.60 0.00 0.00 178.31 180.07 2occ h HIS 204 N 0.80 0.87 -0.84 -0.55 2.76 -1.33 -1.20 115.15 115.65 2occ h HIS 204 Ca 0.13 -0.10 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2occ h HIS 204 Cb 0.63 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 2occ h HIS 204 CO 0.04 0.77 0.56 0.78 -1.30 0.00 0.00 177.93 178.77 2occ h GLY 205 N 0.71 1.19 1.30 5.26 0.00 -0.62 0.18 103.07 111.10 2occ h GLY 205 Ca 0.16 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 2occ h GLY 205 CO 0.00 0.44 -0.04 -2.00 0.00 0.00 0.00 176.54 174.94 2occ h LEU 206 N 1.14 0.82 -1.03 3.11 5.85 -0.69 -2.57 115.31 121.94 2occ h LEU 206 Ca 0.31 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2occ h LEU 206 Cb -0.13 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 2occ h LEU 206 CO -0.07 0.91 -0.48 0.45 -0.34 0.00 0.00 178.44 178.91 2occ h HIS 207 N 0.77 0.00 -0.31 1.25 3.86 -0.04 -1.47 115.15 119.21 2occ h HIS 207 Ca 0.14 -0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.22 2occ h HIS 207 Cb 0.52 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2occ h HIS 207 CO 0.03 0.48 -0.32 0.28 0.86 0.00 0.00 177.93 179.27 2occ h VAL 208 N 0.00 1.28 -0.36 2.45 2.07 -0.71 -0.68 116.25 120.30 2occ h VAL 208 Ca -0.00 -1.45 -0.11 0.00 0.82 0.00 0.00 66.70 65.95 2occ h VAL 208 Cb 0.85 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2occ h VAL 208 CO 0.06 0.47 -0.22 0.40 0.02 0.00 0.00 177.57 178.30 2occ h ILE 209 N 0.57 1.28 -0.69 4.57 2.04 -1.16 -0.45 117.51 123.68 2occ h ILE 209 Ca 0.07 -1.36 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 2occ h ILE 209 Cb 0.82 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 2occ h ILE 209 CO 0.07 0.45 0.24 0.40 0.00 0.00 0.00 178.15 179.31 2occ h ILE 210 N 0.58 1.25 -0.50 -0.67 2.04 -1.14 -2.09 117.51 116.99 2occ h ILE 210 Ca 0.08 -0.83 -0.10 0.00 1.00 0.00 0.00 64.86 65.00 2occ h ILE 210 Cb 0.78 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2occ h ILE 210 CO 0.06 0.33 -0.09 1.23 0.00 0.00 0.00 178.15 179.68 2occ h GLY 211 N 1.00 0.99 0.96 5.37 0.00 -0.96 -2.18 103.07 108.25 2occ h GLY 211 Ca 0.23 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 2occ h GLY 211 CO -0.01 0.70 0.15 1.76 0.00 0.00 0.00 176.54 179.13 2occ h SER 212 N 0.82 0.69 0.40 0.19 0.02 -0.81 -0.04 113.55 114.82 2occ h SER 212 Ca 0.14 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 2occ h SER 212 Cb 0.62 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2occ h SER 212 CO 0.04 0.72 -0.45 0.00 -1.14 0.00 0.00 176.83 176.00 2occ h THR 213 N 0.64 1.33 -0.40 -2.27 1.03 -1.31 0.25 112.91 112.17 2occ h THR 213 Ca 0.15 -1.57 -0.03 0.00 -0.01 0.00 0.00 66.41 64.95 2occ h THR 213 Cb 0.27 1.81 -0.02 0.00 -1.07 0.00 0.00 68.15 69.15 2occ h THR 213 CO -0.00 0.45 0.13 0.15 -0.01 0.00 0.00 175.52 176.24 2occ h PHE 214 N 0.05 0.63 -0.46 0.00 3.04 -1.00 0.27 116.94 119.47 2occ h PHE 214 Ca 0.00 -0.06 -0.08 0.00 3.98 0.00 0.00 57.97 61.81 2occ h PHE 214 Cb 0.82 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.13 2occ h PHE 214 CO 0.00 0.58 -0.04 -0.07 -2.02 0.00 0.00 178.31 176.77 2occ h LEU 215 N 0.50 0.76 -0.60 0.59 3.38 -0.45 -0.59 115.31 118.90 2occ h LEU 215 Ca 0.13 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2occ h LEU 215 Cb 0.24 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2occ h LEU 215 CO -0.01 0.85 0.26 0.40 0.09 0.00 0.00 178.44 180.04 2occ h ILE 216 N 0.73 1.22 -0.53 1.22 2.04 0.31 0.17 117.51 122.67 2occ h ILE 216 Ca 0.14 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.35 2occ h ILE 216 Cb 0.50 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2occ h ILE 216 CO 0.03 0.27 0.31 0.58 0.00 0.00 0.00 178.15 179.34 2occ h VAL 217 N 0.83 1.05 -0.19 1.67 2.07 0.34 0.10 116.25 122.11 2occ h VAL 217 Ca 0.20 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2occ h VAL 217 Cb 0.17 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2occ h VAL 217 CO -0.02 0.11 -0.04 0.00 0.02 0.00 0.00 177.57 177.64 2occ h PHE 219 N 0.28 0.01 -0.29 0.00 3.57 0.13 -1.53 116.94 119.10 2occ h PHE 219 Ca 0.06 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 2occ h PHE 219 Cb 0.26 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2occ h PHE 219 CO 0.00 0.04 -0.30 0.74 -2.23 0.00 0.00 178.31 176.57 2occ h PHE 220 N -0.03 0.70 0.00 0.41 0.04 -1.14 -1.29 116.94 115.62 2occ h PHE 220 Ca 0.00 -0.17 -0.05 0.00 2.80 0.00 0.00 57.97 60.55 2occ h PHE 220 Cb 0.04 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 2occ h PHE 220 CO -0.07 0.84 -0.23 0.00 -0.60 0.00 0.00 178.31 178.26 2occ h ARG 221 N 0.52 0.00 -0.11 1.51 3.08 -1.20 -1.80 114.38 116.39 2occ h ARG 221 Ca 0.06 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.88 2occ h ARG 221 Cb 0.78 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.84 2occ h ARG 221 CO 0.06 0.23 -0.85 0.37 -1.07 0.00 0.00 179.97 178.71 2occ h GLN 222 N 0.00 0.73 -0.76 0.04 5.75 -0.67 -0.74 115.11 119.46 2occ h GLN 222 Ca -0.00 -0.64 0.08 0.00 -0.15 0.00 0.00 58.65 57.93 2occ h GLN 222 Cb 0.40 0.15 -0.05 0.00 1.07 0.00 0.00 27.48 29.05 2occ h GLN 222 CO 0.03 1.25 0.50 -0.07 -2.65 0.00 0.00 178.83 177.88 2occ h LEU 223 N 0.48 0.67 -1.93 -2.39 3.38 -0.43 -1.38 115.31 113.70 2occ h LEU 223 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2occ h LEU 223 Cb 1.48 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2occ h LEU 223 CO 0.17 0.42 0.00 0.29 0.09 0.00 0.00 178.44 179.41 2occ n LYS 224 N -4.49 2.53 -1.93 1.13 5.02 -0.86 -4.93 118.16 114.63 2occ n LYS 224 Ca 0.12 -1.51 -0.19 0.00 -2.02 0.00 0.00 58.31 54.70 2occ n LYS 224 Cb 0.27 -1.64 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 2occ n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2occ n PHE 225 N 0.44 -0.51 0.17 2.13 3.01 -0.52 -4.88 117.46 117.30 2occ n PHE 225 Ca 0.14 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.63 2occ n PHE 225 Cb 0.56 -3.52 0.44 0.00 -0.01 0.00 0.00 39.48 36.96 2occ n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2occ h HIS 226 N 0.00 0.13 -3.23 1.38 3.86 -1.36 -3.43 115.15 112.50 2occ h HIS 226 Ca -0.43 -0.01 -0.58 0.00 -1.16 0.00 0.00 60.37 58.19 2occ h HIS 226 Cb 1.30 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 29.68 2occ h HIS 226 CO 0.56 0.28 -0.08 -0.06 0.86 0.00 0.00 177.93 179.49 2occ s PHE 227 N -4.69 3.70 0.38 2.45 0.08 -1.26 -4.97 117.98 113.67 2occ s PHE 227 Ca -0.05 1.12 0.08 0.00 0.12 0.00 0.00 56.93 58.20 2occ s PHE 227 Cb 0.16 -2.50 -0.02 0.00 -0.57 0.00 0.00 43.02 40.09 2occ s PHE 227 CO 0.71 0.45 0.38 0.95 -0.10 0.00 0.00 175.22 177.61 2occ s THR 228 N -0.48 3.19 0.43 0.64 -4.23 -0.90 -4.99 115.64 109.29 2occ s THR 228 Ca 0.28 -1.27 0.39 0.00 -1.18 0.00 0.00 61.69 59.91 2occ s THR 228 Cb -0.18 -3.11 0.39 0.00 1.34 0.00 0.00 72.50 70.94 2occ s THR 228 CO 0.16 -0.08 2.19 0.77 -0.54 0.00 0.00 174.62 177.12 2occ h SER 229 N 1.04 0.00 0.00 3.99 4.64 -1.91 -3.12 113.55 118.20 2occ h SER 229 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2occ h SER 229 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2occ h SER 229 CO 0.56 0.00 -1.15 0.59 -0.87 0.00 0.00 176.83 175.96 2occ n ASN 230 N -2.90 4.27 -4.06 4.97 5.03 -1.26 -4.43 115.26 116.88 2occ n ASN 230 Ca -0.02 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.11 2occ n ASN 230 Cb 0.08 1.13 -0.15 0.00 -1.02 0.00 0.00 39.78 39.83 2occ n ASN 230 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 2occ s HIS 231 N -2.22 3.47 -0.41 3.10 2.46 -1.18 -4.91 115.29 115.61 2occ s HIS 231 Ca -0.01 -2.58 0.08 0.00 0.47 0.00 0.00 55.06 53.02 2occ s HIS 231 Cb 0.02 -2.36 0.35 0.00 -0.13 0.00 0.00 32.58 30.47 2occ s HIS 231 CO 0.13 -0.91 1.28 -2.39 -2.47 0.00 0.00 174.74 170.39 2occ n HIS 232 N 4.37 -2.44 -0.02 3.88 1.44 -1.26 -2.13 115.22 119.06 2occ n HIS 232 Ca -0.07 -1.89 0.05 0.00 -2.01 0.00 0.00 57.72 53.80 2occ n HIS 232 Cb 0.42 1.59 0.43 0.00 0.12 0.00 0.00 29.99 32.55 2occ n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 2occ h PHE 233 N 2.22 0.52 -0.56 -1.40 3.57 -1.97 -1.84 116.94 117.49 2occ h PHE 233 Ca -0.25 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.33 2occ h PHE 233 Cb 1.24 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 2occ h PHE 233 CO 0.17 0.32 0.38 0.78 -2.23 0.00 0.00 178.31 177.72 2occ h GLY 234 N 0.55 0.63 1.60 2.40 0.00 -1.99 0.05 103.07 106.30 2occ h GLY 234 Ca 0.17 -0.20 -0.25 0.00 0.00 0.00 0.00 47.33 47.05 2occ h GLY 234 CO -0.04 0.14 -1.12 -2.75 0.00 0.00 0.00 176.54 172.77 2occ h PHE 235 N 0.49 0.54 -0.15 5.60 3.57 -1.75 -2.43 116.94 122.80 2occ h PHE 235 Ca 0.25 -0.35 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 2occ h PHE 235 Cb 0.34 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2occ h PHE 235 CO -0.00 1.23 0.04 0.93 -2.23 0.00 0.00 178.31 178.27 2occ h GLU 236 N 0.13 0.25 -0.66 1.11 5.08 -0.95 0.96 114.58 120.50 2occ h GLU 236 Ca -0.11 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2occ h GLU 236 Cb 1.81 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.00 2occ h GLU 236 CO 0.19 0.40 0.41 0.00 -1.00 0.00 0.00 179.01 179.01 2occ h ALA 237 N 0.84 0.85 -0.93 3.43 0.00 -1.11 0.53 119.26 122.86 2occ h ALA 237 Ca 0.05 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2occ h ALA 237 Cb 0.26 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2occ h ALA 237 CO 0.00 0.31 0.61 0.78 0.00 0.00 0.00 179.25 180.95 2occ h GLY 238 N 0.90 1.36 1.16 0.00 0.00 -1.21 -0.47 103.07 104.81 2occ h GLY 238 Ca 0.24 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 46.95 2occ h GLY 238 CO -0.05 0.40 -0.40 0.00 0.00 0.00 0.00 176.54 176.49 2occ h ALA 239 N 1.38 0.58 -0.35 3.60 0.00 0.10 -1.16 119.26 123.41 2occ h ALA 239 Ca 0.37 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2occ h ALA 239 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2occ h ALA 239 CO -0.12 0.68 -0.16 -1.49 0.00 0.00 0.00 179.25 178.16 2occ h TRP 240 N 0.74 0.83 -0.84 0.00 6.55 -0.49 -1.71 115.95 121.03 2occ h TRP 240 Ca 0.06 -0.20 0.00 0.00 0.95 0.00 0.00 58.89 59.70 2occ h TRP 240 Cb 0.99 -0.19 -0.04 0.00 -0.86 0.00 0.00 29.16 29.06 2occ h TRP 240 CO 0.06 0.92 0.54 -0.92 -1.05 0.00 0.00 178.44 177.99 2occ h TYR 241 N 0.51 1.08 -0.54 0.49 3.20 -1.02 -1.56 116.97 119.13 2occ h TYR 241 Ca 0.08 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 2occ h TYR 241 Cb 0.69 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2occ h TYR 241 CO 0.06 0.70 0.05 2.35 -1.64 0.00 0.00 178.16 179.68 2occ h TRP 242 N 1.15 0.92 -0.02 -3.82 2.91 -1.00 -1.53 115.95 114.57 2occ h TRP 242 Ca 0.31 -0.12 -0.12 0.00 1.13 0.00 0.00 58.89 60.09 2occ h TRP 242 Cb -0.09 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 28.28 2occ h TRP 242 CO -0.01 0.82 -0.54 0.45 -1.03 0.00 0.00 178.44 178.12 2occ h HIS 243 N 0.82 0.08 -0.20 2.65 3.86 -0.82 -1.93 115.15 119.62 2occ h HIS 243 Ca 0.17 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 2occ h HIS 243 Cb 0.42 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 2occ h HIS 243 CO 0.02 0.60 0.06 0.35 0.86 0.00 0.00 177.93 179.82 2occ h PHE 244 N 0.05 0.32 -0.37 2.45 3.57 -0.78 -0.21 116.94 121.97 2occ h PHE 244 Ca -0.00 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.47 2occ h PHE 244 Cb 0.98 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2occ h PHE 244 CO 0.01 0.40 0.25 0.28 -2.23 0.00 0.00 178.31 177.01 2occ h VAL 245 N 0.14 1.08 -0.05 1.41 2.07 -1.09 0.19 116.25 120.01 2occ h VAL 245 Ca 0.06 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2occ h VAL 245 Cb 0.23 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2occ h VAL 245 CO -0.00 0.09 -0.06 -0.78 0.02 0.00 0.00 177.57 176.84 2occ h ASP 246 N 0.49 0.14 -0.70 0.57 1.82 -1.05 -2.79 116.42 114.90 2occ h ASP 246 Ca 0.14 -0.50 -0.03 0.00 -0.39 0.00 0.00 57.03 56.26 2occ h ASP 246 Cb -0.03 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 39.91 2occ h ASP 246 CO -0.03 0.61 0.33 0.58 -1.61 0.00 0.00 179.24 179.12 2occ h VAL 247 N -0.32 1.23 -0.61 2.25 2.07 -0.14 -1.45 116.25 119.29 2occ h VAL 247 Ca 0.01 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.87 2occ h VAL 247 Cb 0.57 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2occ h VAL 247 CO 0.01 0.27 0.40 0.58 0.02 0.00 0.00 177.57 178.86 2occ h VAL 248 N 0.98 1.16 -0.36 2.57 2.07 -1.03 -2.10 116.25 119.53 2occ h VAL 248 Ca 0.24 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2occ h VAL 248 Cb 0.12 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2occ h VAL 248 CO -0.03 0.15 0.07 -0.25 0.02 0.00 0.00 177.57 177.53 2occ h TRP 249 N 0.82 0.62 -0.98 1.57 2.91 -1.00 -1.00 115.95 118.90 2occ h TRP 249 Ca 0.22 -0.08 0.13 0.00 1.13 0.00 0.00 58.89 60.29 2occ h TRP 249 Cb -0.10 -0.17 -0.08 0.00 -0.51 0.00 0.00 29.16 28.30 2occ h TRP 249 CO 0.00 0.64 0.62 -0.07 -1.03 0.00 0.00 178.44 178.60 2occ h LEU 250 N 0.43 0.86 -0.45 0.65 3.38 -0.71 0.21 115.31 119.68 2occ h LEU 250 Ca 0.11 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 2occ h LEU 250 Cb 0.34 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2occ h LEU 250 CO 0.01 0.44 -0.39 -0.26 0.09 0.00 0.00 178.44 178.32 2occ h PHE 251 N 0.91 1.03 0.57 1.13 0.04 -1.09 -1.67 116.94 117.87 2occ h PHE 251 Ca 0.50 -0.31 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 2occ h PHE 251 Cb 0.58 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 38.52 2occ h PHE 251 CO -0.00 1.11 -0.27 -0.07 -0.60 0.00 0.00 178.31 178.47 2occ h LEU 252 N 0.70 -0.65 -0.46 1.54 3.38 0.18 -0.29 115.31 119.71 2occ h LEU 252 Ca 0.06 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.12 2occ h LEU 252 Cb 0.97 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 2occ h LEU 252 CO 0.09 -0.44 -0.05 0.22 0.09 0.00 0.00 178.44 178.35 2occ h TYR 253 N -0.80 -0.12 -0.31 1.13 3.20 -0.63 0.18 116.97 119.61 2occ h TYR 253 Ca -0.08 0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.69 2occ h TYR 253 Cb 0.60 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 2occ h TYR 253 CO -0.03 -0.15 -0.39 0.28 -1.64 0.00 0.00 178.16 176.24 2occ h VAL 254 N 0.06 1.29 0.00 1.81 2.07 -1.27 -1.08 116.25 119.13 2occ h VAL 254 Ca 0.23 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2occ h VAL 254 Cb 0.34 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2occ h VAL 254 CO -0.42 0.50 -0.00 0.28 0.02 0.00 0.00 177.57 177.95 2occ h SER 255 N 0.61 0.00 -0.02 0.57 0.02 -0.10 -2.04 113.55 112.59 2occ h SER 255 Ca 0.05 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 2occ h SER 255 Cb 0.93 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.48 2occ h SER 255 CO 0.08 0.21 -0.40 0.40 -1.14 0.00 0.00 176.83 175.99 2occ h ILE 256 N -0.42 1.46 0.17 3.27 2.04 -0.87 0.39 117.51 123.56 2occ h ILE 256 Ca 0.00 -1.93 -0.30 0.00 1.00 0.00 0.00 64.86 63.63 2occ h ILE 256 Cb 0.00 2.56 0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2occ h ILE 256 CO 0.00 0.55 -1.33 1.88 0.00 0.00 0.00 178.15 179.25 2occ h TYR 257 N -0.24 0.80 0.00 1.37 -1.99 -1.43 -3.30 116.97 112.18 2occ h TYR 257 Ca -0.04 -0.56 0.00 0.00 2.00 0.00 0.00 58.73 60.13 2occ h TYR 257 Cb 1.11 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.80 2occ h TYR 257 CO 0.15 1.43 0.00 1.87 -0.00 0.00 0.00 178.16 181.61 2occ n TRP 258 N -3.67 0.00 -0.10 4.88 -0.00 -0.42 -4.30 117.44 113.83 2occ n TRP 258 Ca -0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.27 2occ n TRP 258 Cb 1.04 -0.17 -0.02 0.00 -0.00 0.00 0.00 31.31 32.16 2occ n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 2occ h TRP 259 N 0.00 0.48 0.00 5.87 7.01 -1.40 -3.00 115.95 124.91 2occ h TRP 259 Ca 0.00 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.96 2occ h TRP 259 Cb 0.00 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 26.92 2occ h TRP 259 CO 0.00 0.46 0.00 0.41 -2.79 0.00 0.00 178.44 176.52 2occ n GLY 260 N -0.75 0.49 0.00 2.65 0.00 0.14 -5.02 105.19 102.70 2occ n GLY 260 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2occ n GLY 260 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76