#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1occ n THR 2 N 0.00 0.00 -3.82 2.03 -1.04 -1.26 -4.67 114.28 105.52 1occ n THR 2 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1occ n THR 2 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1occ n THR 2 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1occ s HIS 3 N 0.00 3.27 0.41 -1.42 5.65 -1.26 -5.09 115.29 116.85 1occ s HIS 3 Ca 0.00 0.09 -0.23 0.00 0.25 0.00 0.00 55.06 55.17 1occ s HIS 3 Cb 0.00 -2.18 -0.09 0.00 -1.18 0.00 0.00 32.58 29.13 1occ s HIS 3 CO 0.00 0.07 1.01 1.14 -0.65 0.00 0.00 174.74 176.30 1occ s GLN 4 N 0.79 4.19 -0.17 2.88 -2.07 -1.26 -4.99 119.66 119.03 1occ s GLN 4 Ca 0.06 1.37 0.14 0.00 -1.82 0.00 0.00 55.36 55.11 1occ s GLN 4 Cb -0.13 -2.44 0.37 0.00 -1.09 0.00 0.00 33.01 29.72 1occ s GLN 4 CO 0.02 -0.09 1.19 0.25 -1.32 0.00 0.00 175.29 175.34 1occ n THR 5 N -0.23 2.01 -4.29 3.63 -2.24 -1.26 -5.01 114.28 106.89 1occ n THR 5 Ca 0.06 -2.81 -0.27 0.00 -2.27 0.00 0.00 64.05 58.75 1occ n THR 5 Cb 0.51 -0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 1occ n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1occ s HIS 6 N -2.99 2.62 -1.69 4.78 -3.43 -1.26 -5.04 115.29 108.27 1occ s HIS 6 Ca 0.35 -0.23 0.03 0.00 -0.80 0.00 0.00 55.06 54.42 1occ s HIS 6 Cb 0.33 -1.30 0.10 0.00 -1.43 0.00 0.00 32.58 30.28 1occ s HIS 6 CO -0.04 0.49 0.96 0.00 -2.00 0.00 0.00 174.74 174.15 1occ n ALA 7 N 0.22 2.54 -1.92 -1.38 0.00 -1.26 -4.92 120.51 113.79 1occ n ALA 7 Ca -0.12 -0.20 -0.28 0.00 0.00 0.00 0.00 53.44 52.83 1occ n ALA 7 Cb 0.55 -1.00 0.13 0.00 0.00 0.00 0.00 19.45 19.13 1occ n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1occ s TYR 8 N -1.69 2.30 -0.23 0.00 2.02 -1.26 -4.50 117.35 113.99 1occ s TYR 8 Ca 0.07 0.46 -0.03 0.00 -0.37 0.00 0.00 57.07 57.20 1occ s TYR 8 Cb 0.04 -3.68 0.01 0.00 -0.40 0.00 0.00 41.96 37.93 1occ s TYR 8 CO 0.04 -2.08 -0.05 -1.58 -1.57 0.00 0.00 175.55 170.31 1occ s HIS 9 N -3.63 2.99 -0.75 2.71 5.65 -1.26 -5.05 115.29 115.95 1occ s HIS 9 Ca 0.67 -1.20 -0.16 0.00 0.25 0.00 0.00 55.06 54.61 1occ s HIS 9 Cb -0.08 -2.09 0.16 0.00 -1.18 0.00 0.00 32.58 29.40 1occ s HIS 9 CO 0.50 -0.63 0.78 -1.64 -0.65 0.00 0.00 174.74 173.09 1occ s MET 10 N 1.41 3.37 0.26 2.88 -1.94 -1.26 -5.04 119.30 118.98 1occ s MET 10 Ca 0.04 -1.95 -0.30 0.00 -1.71 0.00 0.00 55.69 51.77 1occ s MET 10 Cb -0.15 -4.46 -0.10 0.00 2.01 0.00 0.00 34.83 32.13 1occ s MET 10 CO -0.04 -1.44 1.33 0.54 -0.01 0.00 0.00 175.02 175.40 1occ s VAL 11 N 1.44 2.91 0.49 -6.03 0.11 -1.26 -4.99 120.40 113.08 1occ s VAL 11 Ca 0.17 0.81 -0.23 0.00 -2.93 0.00 0.00 61.98 59.81 1occ s VAL 11 Cb -0.16 -3.52 -0.06 0.00 -1.53 0.00 0.00 36.38 31.11 1occ s VAL 11 CO -0.04 0.15 1.24 0.20 -3.33 0.00 0.00 175.10 173.33 1occ s ASN 12 N 0.01 5.83 -0.04 3.54 0.01 -1.26 -4.90 114.94 118.14 1occ s ASN 12 Ca 0.54 2.49 -0.38 0.00 -0.71 0.00 0.00 52.86 54.80 1occ s ASN 12 Cb -0.39 -2.62 -0.16 0.00 0.41 0.00 0.00 41.25 38.49 1occ s ASN 12 CO 0.44 -1.16 1.48 -2.65 -1.51 0.00 0.00 177.10 173.70 1occ n PRO 13 N -0.67 1.14 -5.14 -0.60 -0.02 -1.26 -4.94 135.00 123.50 1occ n PRO 13 Ca 0.08 0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 1occ n PRO 13 Cb 0.47 -2.07 -0.15 0.00 -0.02 0.00 0.00 33.50 31.72 1occ n PRO 13 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1occ s SER 14 N 1.56 3.08 0.17 2.55 0.01 -1.26 -5.01 113.70 114.79 1occ s SER 14 Ca 0.89 -0.52 0.25 0.00 1.31 0.00 0.00 55.95 57.88 1occ s SER 14 Cb -1.00 -0.32 0.45 0.00 0.21 0.00 0.00 66.02 65.37 1occ s SER 14 CO 0.53 0.29 1.44 1.55 0.41 0.00 0.00 173.24 177.47 1occ h PRO 15 N 5.22 0.00 -0.91 12.44 0.13 -2.02 -3.39 132.00 143.46 1occ h PRO 15 Ca -0.44 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.87 1occ h PRO 15 Cb 1.13 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.15 1occ h PRO 15 CO 0.46 0.00 0.48 -1.49 -0.23 0.00 0.00 178.00 177.22 1occ h TRP 16 N 0.00 0.83 -0.55 1.56 -0.00 -1.96 -1.07 115.95 114.76 1occ h TRP 16 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1occ h TRP 16 Cb 0.77 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.16 29.68 1occ h TRP 16 CO 0.00 0.12 0.35 -1.35 -0.00 0.00 0.00 178.44 177.56 1occ h PRO 17 N 0.59 0.74 -0.41 0.49 0.11 -1.99 0.40 132.00 131.93 1occ h PRO 17 Ca 0.53 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.58 1occ h PRO 17 Cb 0.87 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 1occ h PRO 17 CO -0.42 0.52 0.25 1.25 -0.21 0.00 0.00 178.00 179.38 1occ h LEU 18 N 0.74 0.49 -0.73 2.35 6.46 -1.61 0.10 115.31 123.11 1occ h LEU 18 Ca 0.20 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1occ h LEU 18 Cb -0.05 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.73 1occ h LEU 18 CO -0.04 0.40 0.36 0.74 -0.62 0.00 0.00 178.44 179.28 1occ h THR 19 N 0.54 1.24 -0.02 1.05 2.02 -0.69 0.03 112.91 117.08 1occ h THR 19 Ca 0.15 -0.65 -0.16 0.00 0.77 0.00 0.00 66.41 66.51 1occ h THR 19 Cb -0.01 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1occ h THR 19 CO -0.03 0.27 -0.74 1.23 0.37 0.00 0.00 175.52 176.63 1occ h GLY 20 N 1.02 0.13 0.74 2.16 0.00 0.17 -1.42 103.07 105.86 1occ h GLY 20 Ca 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1occ h GLY 20 CO -0.03 0.18 -0.01 0.00 0.00 0.00 0.00 176.54 176.68 1occ h ALA 21 N 1.16 0.12 -0.92 3.60 0.00 -0.42 -1.82 119.26 120.99 1occ h ALA 21 Ca -0.02 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1occ h ALA 21 Cb 1.30 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1occ h ALA 21 CO 0.11 -0.18 0.57 -0.07 0.00 0.00 0.00 179.25 179.68 1occ h LEU 22 N -0.13 0.88 -0.49 0.00 4.07 -0.96 -1.69 115.31 117.00 1occ h LEU 22 Ca 0.03 0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.08 1occ h LEU 22 Cb 0.37 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 41.90 1occ h LEU 22 CO 0.01 0.54 0.16 0.28 -1.08 0.00 0.00 178.44 178.35 1occ h SER 23 N 1.00 0.15 -0.98 -0.43 0.02 -0.96 -0.60 113.55 111.75 1occ h SER 23 Ca 0.42 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.44 1occ h SER 23 Cb 0.26 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 1occ h SER 23 CO -0.20 0.11 0.64 0.00 -1.14 0.00 0.00 176.83 176.24 1occ h ALA 24 N 1.34 1.25 0.50 3.77 0.00 -0.46 0.48 119.26 126.14 1occ h ALA 24 Ca 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1occ h ALA 24 Cb 0.26 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1occ h ALA 24 CO -0.25 0.66 -0.25 1.25 0.00 0.00 0.00 179.25 180.66 1occ h LEU 25 N 1.34 -0.60 -0.55 0.00 5.85 -0.71 -0.59 115.31 120.05 1occ h LEU 25 Ca 0.36 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.18 1occ h LEU 25 Cb -0.13 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 1occ h LEU 25 CO -0.07 -0.42 0.22 -0.07 -0.34 0.00 0.00 178.44 177.76 1occ h LEU 26 N -0.69 0.25 -0.42 2.25 4.07 -0.76 -0.52 115.31 119.49 1occ h LEU 26 Ca -0.07 0.06 -0.10 0.00 0.08 0.00 0.00 57.88 57.85 1occ h LEU 26 Cb 0.54 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1occ h LEU 26 CO 0.10 0.17 -0.13 0.24 -1.08 0.00 0.00 178.44 177.74 1occ h MET 27 N 0.42 0.83 0.27 1.13 2.86 -0.75 0.17 114.93 119.86 1occ h MET 27 Ca 0.27 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1occ h MET 27 Cb 0.28 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1occ h MET 27 CO -0.25 0.96 -0.13 1.79 1.06 0.00 0.00 176.91 180.34 1occ h THR 28 N 0.66 0.76 -0.12 2.22 1.35 -0.80 -0.84 112.91 116.13 1occ h THR 28 Ca 0.10 -0.67 -0.04 0.00 -0.55 0.00 0.00 66.41 65.25 1occ h THR 28 Cb 0.67 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1occ h THR 28 CO 0.05 0.13 -0.10 0.77 -0.25 0.00 0.00 175.52 176.12 1occ h SER 29 N -0.74 0.16 -0.26 5.36 4.64 -1.18 -2.18 113.55 119.36 1occ h SER 29 Ca -0.04 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 1occ h SER 29 Cb 0.49 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1occ h SER 29 CO 0.06 0.29 -0.04 1.23 -0.87 0.00 0.00 176.83 177.50 1occ h GLY 30 N 0.60 0.66 1.33 -0.77 0.00 -0.43 -1.24 103.07 103.23 1occ h GLY 30 Ca 0.04 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 1occ h GLY 30 CO 0.02 0.40 -0.26 1.41 0.00 0.00 0.00 176.54 178.10 1occ h LEU 31 N 0.58 0.78 -1.46 3.11 3.38 -0.62 -1.49 115.31 119.59 1occ h LEU 31 Ca 0.11 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1occ h LEU 31 Cb 0.43 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1occ h LEU 31 CO 0.02 1.00 0.05 0.74 0.09 0.00 0.00 178.44 180.34 1occ h THR 32 N 0.66 1.15 -0.06 0.22 2.02 -0.67 0.17 112.91 116.40 1occ h THR 32 Ca 0.08 -0.53 -0.08 0.00 0.77 0.00 0.00 66.41 66.66 1occ h THR 32 Cb 0.78 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1occ h THR 32 CO 0.06 0.19 -0.27 0.24 0.37 0.00 0.00 175.52 176.11 1occ h MET 33 N 0.40 0.29 -0.10 6.66 2.86 -0.97 -1.64 114.93 122.42 1occ h MET 33 Ca 0.09 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1occ h MET 33 Cb 0.19 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1occ h MET 33 CO -0.00 0.88 0.01 2.35 1.06 0.00 0.00 176.91 181.20 1occ h TRP 34 N -0.23 0.01 0.00 -0.22 7.01 -0.31 0.22 115.95 122.42 1occ h TRP 34 Ca -0.02 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.94 1occ h TRP 34 Cb 0.93 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.99 1occ h TRP 34 CO 0.13 -0.00 -0.24 0.74 -2.79 0.00 0.00 178.44 176.28 1occ h PHE 35 N 0.04 0.00 0.00 2.65 0.04 -0.71 -3.21 116.94 115.76 1occ h PHE 35 Ca 0.05 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 1occ h PHE 35 Cb 0.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1occ h PHE 35 CO -0.12 0.24 -1.27 0.72 -0.60 0.00 0.00 178.31 177.27 1occ n HIS 36 N -4.26 0.00 -1.38 -0.55 8.25 -0.62 -4.76 115.22 111.90 1occ n HIS 36 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1occ n HIS 36 Cb 0.29 -0.18 0.21 0.00 1.12 0.00 0.00 29.99 31.42 1occ n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1occ n PHE 37 N -2.77 0.94 -3.67 4.41 3.72 0.62 -5.00 117.46 115.71 1occ n PHE 37 Ca -0.09 -1.46 -0.25 0.00 -0.05 0.00 0.00 57.45 55.60 1occ n PHE 37 Cb 0.59 -0.43 0.01 0.00 -0.94 0.00 0.00 39.48 38.70 1occ n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1occ n ASN 38 N -1.05 -3.15 -3.82 4.37 4.05 -0.37 -4.88 115.26 110.41 1occ n ASN 38 Ca 0.30 -0.80 -0.13 0.00 0.45 0.00 0.00 54.58 54.40 1occ n ASN 38 Cb 0.97 -1.12 -0.13 0.00 1.23 0.00 0.00 39.78 40.74 1occ n ASN 38 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1occ s SER 39 N -3.26 -0.11 -0.00 1.20 0.15 -1.07 -4.92 113.70 105.69 1occ s SER 39 Ca 0.16 0.22 0.06 0.00 0.70 0.00 0.00 55.95 57.08 1occ s SER 39 Cb -0.09 0.20 -0.07 0.00 -1.71 0.00 0.00 66.02 64.36 1occ s SER 39 CO 0.66 -0.06 0.22 0.23 1.20 0.00 0.00 173.24 175.49 1occ n MET 40 N 3.24 4.26 -0.26 5.44 2.81 -1.26 -1.63 117.12 129.71 1occ n MET 40 Ca -0.15 -0.01 0.06 0.00 -1.81 0.00 0.00 57.70 55.79 1occ n MET 40 Cb 0.58 -0.83 0.17 0.00 -0.71 0.00 0.00 33.22 32.43 1occ n MET 40 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1occ h THR 41 N 0.00 0.34 -0.04 2.03 1.35 -1.96 0.64 112.91 115.27 1occ h THR 41 Ca 0.00 -0.04 -0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1occ h THR 41 Cb 0.16 0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 66.79 1occ h THR 41 CO 0.00 0.02 0.01 0.25 -0.25 0.00 0.00 175.52 175.55 1occ h LEU 42 N 0.12 0.05 -1.42 3.87 5.85 -1.89 -1.17 115.31 120.72 1occ h LEU 42 Ca 0.43 -0.18 0.11 0.00 0.84 0.00 0.00 57.88 59.08 1occ h LEU 42 Cb 0.76 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 1occ h LEU 42 CO -0.66 0.22 0.51 0.25 -0.34 0.00 0.00 178.44 178.42 1occ h LEU 43 N -0.12 0.57 -0.17 2.25 5.85 -0.77 -1.48 115.31 121.44 1occ h LEU 43 Ca 0.01 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1occ h LEU 43 Cb 0.18 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1occ h LEU 43 CO -0.00 0.32 0.00 0.24 -0.34 0.00 0.00 178.44 178.67 1occ h MET 44 N 0.62 0.30 -0.27 1.25 2.86 0.76 -1.70 114.93 118.75 1occ h MET 44 Ca 0.37 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.93 1occ h MET 44 Cb 0.58 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1occ h MET 44 CO -0.14 0.51 0.15 0.82 1.06 0.00 0.00 176.91 179.31 1occ h ILE 45 N 0.05 1.03 -0.20 -1.22 2.04 -0.49 -1.55 117.51 117.16 1occ h ILE 45 Ca 0.05 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1occ h ILE 45 Cb 0.37 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1occ h ILE 45 CO 0.01 0.06 0.02 1.23 0.00 0.00 0.00 178.15 179.47 1occ h GLY 46 N 0.32 0.21 0.98 5.37 0.00 -1.22 0.01 103.07 108.74 1occ h GLY 46 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.51 1occ h GLY 46 CO -0.05 -0.02 0.50 1.41 0.00 0.00 0.00 176.54 178.38 1occ h LEU 47 N 0.10 0.68 0.57 3.11 3.38 -1.10 -1.03 115.31 121.02 1occ h LEU 47 Ca 0.09 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1occ h LEU 47 Cb 0.10 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1occ h LEU 47 CO -0.14 0.43 -0.27 0.74 0.09 0.00 0.00 178.44 179.30 1occ h THR 48 N 0.77 0.00 -0.66 0.22 2.02 -0.18 -2.05 112.91 113.03 1occ h THR 48 Ca 0.33 -0.19 0.13 0.00 0.77 0.00 0.00 66.41 67.45 1occ h THR 48 Cb 0.29 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.66 1occ h THR 48 CO -0.12 0.00 0.45 0.71 0.37 0.00 0.00 175.52 176.93 1occ h THR 49 N -0.95 0.82 -0.19 3.16 1.35 -0.95 -1.29 112.91 114.86 1occ h THR 49 Ca -0.08 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 1occ h THR 49 Cb 0.58 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 1occ h THR 49 CO 0.13 0.06 0.10 -1.13 -0.25 0.00 0.00 175.52 174.43 1occ h ASN 50 N 0.34 0.24 -0.63 5.36 -0.73 -1.08 0.62 115.58 119.71 1occ h ASN 50 Ca 0.32 -0.11 -0.03 0.00 1.87 0.00 0.00 56.30 58.35 1occ h ASN 50 Cb 0.77 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 39.27 1occ h ASN 50 CO -0.08 0.28 0.29 0.24 -0.37 0.00 0.00 177.43 177.79 1occ h MET 51 N 0.19 0.91 -0.54 6.67 0.00 -0.56 -1.66 114.93 119.94 1occ h MET 51 Ca 0.07 -0.14 0.07 0.00 0.00 0.00 0.00 59.70 59.70 1occ h MET 51 Cb 0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 31.60 31.48 1occ h MET 51 CO -0.01 0.74 0.22 -0.07 0.00 0.00 0.00 176.91 177.79 1occ h LEU 52 N 0.87 0.25 0.08 1.22 3.38 -0.82 0.28 115.31 120.56 1occ h LEU 52 Ca 0.21 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1occ h LEU 52 Cb 0.13 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1occ h LEU 52 CO -0.03 0.17 -0.04 0.74 0.09 0.00 0.00 178.44 179.37 1occ h THR 53 N 0.42 1.02 -0.78 0.22 2.02 -0.61 -1.90 112.91 113.29 1occ h THR 53 Ca 0.26 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1occ h THR 53 Cb 0.27 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1occ h THR 53 CO -0.24 0.09 0.51 0.24 0.37 0.00 0.00 175.52 176.49 1occ h MET 54 N -0.27 1.01 0.43 6.66 2.86 -0.99 0.23 114.93 124.86 1occ h MET 54 Ca -0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1occ h MET 54 Cb 0.23 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1occ h MET 54 CO 0.02 0.67 -0.29 -0.92 1.06 0.00 0.00 176.91 177.45 1occ h TYR 55 N 1.04 -0.77 -0.06 -0.22 3.20 -0.85 -0.99 116.97 118.32 1occ h TYR 55 Ca 0.29 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1occ h TYR 55 Cb -0.10 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 1occ h TYR 55 CO -0.02 -0.44 0.02 1.96 -1.64 0.00 0.00 178.16 178.04 1occ h GLN 56 N -0.70 0.09 -0.50 1.82 4.20 -1.10 0.21 115.11 119.13 1occ h GLN 56 Ca -0.04 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.72 1occ h GLN 56 Cb 0.59 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.30 1occ h GLN 56 CO 0.03 0.27 0.16 2.35 -0.67 0.00 0.00 178.83 180.96 1occ h TRP 57 N -0.10 0.27 0.00 2.96 2.91 -0.54 -0.17 115.95 121.29 1occ h TRP 57 Ca 0.02 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 59.93 1occ h TRP 57 Cb 0.21 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 28.80 1occ h TRP 57 CO -0.00 0.07 -0.63 -1.49 -1.03 0.00 0.00 178.44 175.36 1occ h TRP 58 N 0.32 0.00 -0.14 2.65 6.55 -1.02 -2.26 115.95 122.05 1occ h TRP 58 Ca 0.24 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.08 1occ h TRP 58 Cb 0.28 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.57 1occ h TRP 58 CO -0.18 0.63 0.08 -0.09 -1.05 0.00 0.00 178.44 177.83 1occ h ARG 59 N 0.00 0.20 0.06 0.49 2.43 0.62 -1.80 114.38 116.38 1occ h ARG 59 Ca -0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1occ h ARG 59 Cb 1.15 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1occ h ARG 59 CO 0.08 0.20 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.26 1occ h ASP 60 N 0.14 -0.11 -0.90 -3.80 5.19 -0.98 0.07 116.42 116.03 1occ h ASP 60 Ca 0.05 0.01 0.19 0.00 -0.62 0.00 0.00 57.03 56.66 1occ h ASP 60 Cb 0.06 0.04 -0.11 0.00 0.18 0.00 0.00 39.33 39.49 1occ h ASP 60 CO -0.01 -0.07 0.46 0.58 -3.12 0.00 0.00 179.24 177.08 1occ h VAL 61 N -0.11 0.60 -0.20 -1.35 2.07 -1.19 0.28 116.25 116.34 1occ h VAL 61 Ca -0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1occ h VAL 61 Cb 0.09 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1occ h VAL 61 CO -0.00 0.10 0.07 0.40 0.02 0.00 0.00 177.57 178.15 1occ h ILE 62 N 0.54 1.18 -0.17 4.57 2.04 -0.65 -1.62 117.51 123.40 1occ h ILE 62 Ca 0.54 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1occ h ILE 62 Cb 0.92 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 1occ h ILE 62 CO -0.45 0.18 -0.17 0.03 0.00 0.00 0.00 178.15 177.74 1occ h ARG 63 N 0.15 -0.18 0.00 2.37 3.08 0.13 0.13 114.38 120.05 1occ h ARG 63 Ca 0.06 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1occ h ARG 63 Cb 0.22 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1occ h ARG 63 CO -0.00 -0.12 -0.11 0.93 -1.07 0.00 0.00 179.97 179.60 1occ h GLU 64 N -0.19 0.00 0.00 0.04 5.08 -0.44 0.16 114.58 119.23 1occ h GLU 64 Ca 0.11 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.17 1occ h GLU 64 Cb 0.35 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1occ h GLU 64 CO -0.28 0.11 -1.79 -1.13 -1.00 0.00 0.00 179.01 174.92 1occ n SER 65 N -4.18 1.91 0.04 1.42 3.41 -0.63 -0.97 113.62 114.62 1occ n SER 65 Ca -0.03 0.39 -0.20 0.00 -0.26 0.00 0.00 58.87 58.77 1occ n SER 65 Cb 0.19 -0.86 -0.14 0.00 -0.26 0.00 0.00 64.21 63.13 1occ n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1occ h THR 66 N -1.00 1.43 0.15 6.66 2.02 -0.88 -2.99 112.91 118.30 1occ h THR 66 Ca -0.45 -2.51 -0.35 0.00 0.77 0.00 0.00 66.41 63.87 1occ h THR 66 Cb 1.35 3.12 -0.00 0.00 -1.74 0.00 0.00 68.15 70.88 1occ h THR 66 CO -0.27 0.71 -1.79 -0.26 0.37 0.00 0.00 175.52 174.27 1occ h PHE 67 N -0.38 0.59 0.00 3.16 0.04 -1.43 -3.39 116.94 115.54 1occ h PHE 67 Ca -0.17 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.17 1occ h PHE 67 Cb 1.65 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.77 1occ h PHE 67 CO 0.19 1.65 -1.03 1.04 -0.60 0.00 0.00 178.31 179.55 1occ n GLN 68 N -3.52 0.12 -2.46 1.51 6.02 0.49 -5.02 117.38 114.52 1occ n GLN 68 Ca -0.25 -0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.55 1occ n GLN 68 Cb 1.06 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.81 1occ n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1occ n GLY 69 N 1.45 -0.31 0.09 1.08 0.00 -1.13 -4.92 105.19 101.46 1occ n GLY 69 Ca 0.03 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1occ n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1occ n HIS 70 N -4.08 0.77 -1.90 1.61 8.25 -0.14 -4.50 115.22 115.23 1occ n HIS 70 Ca -0.17 0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 57.10 1occ n HIS 70 Cb 0.64 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.87 1occ n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1occ n HIS 71 N -2.14 3.62 -1.14 4.41 8.25 -1.26 -4.72 115.22 122.24 1occ n HIS 71 Ca 0.06 -2.95 -0.29 0.00 -0.26 0.00 0.00 57.72 54.28 1occ n HIS 71 Cb 0.40 -2.50 0.19 0.00 1.12 0.00 0.00 29.99 29.20 1occ n HIS 71 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1occ s THR 72 N 2.99 1.95 0.25 1.59 -4.23 -1.26 -4.67 115.64 112.26 1occ s THR 72 Ca 0.47 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.94 1occ s THR 72 Cb 0.12 -2.48 0.22 0.00 1.34 0.00 0.00 72.50 71.70 1occ s THR 72 CO -0.06 0.00 1.77 -0.65 -0.54 0.00 0.00 174.62 175.14 1occ h PRO 73 N -2.04 0.59 -0.63 3.99 0.11 -1.92 -1.51 132.00 130.58 1occ h PRO 73 Ca -0.54 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.49 1occ h PRO 73 Cb 1.33 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1occ h PRO 73 CO 0.55 0.39 0.23 0.00 -0.21 0.00 0.00 178.00 178.96 1occ h ALA 74 N 1.51 0.83 -0.82 -0.75 0.00 -1.91 -1.63 119.26 116.47 1occ h ALA 74 Ca 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1occ h ALA 74 Cb 0.54 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1occ h ALA 74 CO -0.33 0.46 0.38 0.28 0.00 0.00 0.00 179.25 180.05 1occ h VAL 75 N 0.90 1.26 -0.32 0.00 2.07 -1.54 -2.92 116.25 115.70 1occ h VAL 75 Ca 0.21 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1occ h VAL 75 Cb 0.24 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1occ h VAL 75 CO -0.01 0.31 0.02 1.56 0.02 0.00 0.00 177.57 179.47 1occ h GLN 76 N 1.18 0.55 -0.65 1.57 4.20 -0.96 -2.71 115.11 118.29 1occ h GLN 76 Ca 0.28 -0.16 0.12 0.00 0.06 0.00 0.00 58.65 58.95 1occ h GLN 76 Cb 0.14 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1occ h GLN 76 CO -0.03 0.66 0.44 -0.22 -0.67 0.00 0.00 178.83 179.01 1occ h LYS 77 N 0.36 0.38 -0.14 1.46 3.64 -1.17 -0.40 116.57 120.70 1occ h LYS 77 Ca 0.09 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 1occ h LYS 77 Cb 0.40 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1occ h LYS 77 CO 0.01 0.25 -0.51 0.78 -2.27 0.00 0.00 179.45 177.71 1occ h GLY 78 N 0.39 0.43 1.68 5.01 0.00 -1.30 -2.72 103.07 106.55 1occ h GLY 78 Ca 0.31 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1occ h GLY 78 CO -0.09 0.43 -0.42 1.41 0.00 0.00 0.00 176.54 177.88 1occ h LEU 79 N 0.31 0.38 -0.20 3.11 3.38 -0.84 -2.01 115.31 119.44 1occ h LEU 79 Ca 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1occ h LEU 79 Cb 1.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1occ h LEU 79 CO 0.09 0.76 0.07 0.03 0.09 0.00 0.00 178.44 179.47 1occ h ARG 80 N 0.30 0.32 -0.55 1.13 3.08 -1.19 -1.43 114.38 116.03 1occ h ARG 80 Ca 0.03 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1occ h ARG 80 Cb 0.86 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 1occ h ARG 80 CO 0.07 0.40 0.35 1.88 -1.07 0.00 0.00 179.97 181.60 1occ h TYR 81 N 0.16 0.66 -0.47 3.04 0.05 -1.36 -1.75 116.97 117.30 1occ h TYR 81 Ca 0.07 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.88 1occ h TYR 81 Cb 0.22 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1occ h TYR 81 CO -0.00 0.40 0.30 0.78 -1.05 0.00 0.00 178.16 178.58 1occ h GLY 82 N 0.70 0.66 0.89 3.88 0.00 -1.01 -1.18 103.07 107.01 1occ h GLY 82 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1occ h GLY 82 CO -0.07 0.21 -0.14 1.98 0.00 0.00 0.00 176.54 178.53 1occ h MET 83 N 0.60 -0.37 -0.37 4.80 1.85 -1.02 -0.42 114.93 120.00 1occ h MET 83 Ca 0.18 0.03 0.08 0.00 -0.61 0.00 0.00 59.70 59.37 1occ h MET 83 Cb -0.03 0.08 -0.09 0.00 0.43 0.00 0.00 31.60 32.00 1occ h MET 83 CO -0.06 -0.17 -0.29 0.82 -0.40 0.00 0.00 176.91 176.81 1occ h ILE 84 N -0.50 0.28 -0.64 1.77 1.08 -1.09 0.30 117.51 118.71 1occ h ILE 84 Ca -0.04 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.49 1occ h ILE 84 Cb 0.38 0.28 -0.06 0.00 -3.07 0.00 0.00 36.82 34.35 1occ h ILE 84 CO 0.06 0.00 0.34 -0.07 -0.69 0.00 0.00 178.15 177.80 1occ h LEU 85 N -0.24 0.50 0.18 1.44 4.07 -1.14 -1.16 115.31 118.97 1occ h LEU 85 Ca 0.17 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.16 1occ h LEU 85 Cb 0.51 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1occ h LEU 85 CO -0.50 0.32 -0.09 0.15 -1.08 0.00 0.00 178.44 177.24 1occ h PHE 86 N 0.63 -0.23 -0.91 1.13 3.57 0.74 -1.80 116.94 120.08 1occ h PHE 86 Ca 0.29 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.96 1occ h PHE 86 Cb 0.20 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.94 1occ h PHE 86 CO -0.09 -0.13 0.59 0.82 -2.23 0.00 0.00 178.31 177.26 1occ h ILE 87 N -0.26 0.75 0.32 1.41 2.04 -0.74 -1.01 117.51 120.02 1occ h ILE 87 Ca -0.03 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1occ h ILE 87 Cb 0.20 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1occ h ILE 87 CO 0.04 0.11 -0.15 0.40 0.00 0.00 0.00 178.15 178.55 1occ h ILE 88 N 0.59 0.71 -0.74 -0.67 2.04 -0.53 0.51 117.51 119.42 1occ h ILE 88 Ca 0.48 -0.26 0.14 0.00 1.00 0.00 0.00 64.86 66.21 1occ h ILE 88 Cb 0.92 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1occ h ILE 88 CO -0.22 0.05 0.50 0.77 0.00 0.00 0.00 178.15 179.25 1occ h SER 89 N -0.57 0.43 -0.43 1.72 4.64 -0.41 0.15 113.55 119.08 1occ h SER 89 Ca -0.04 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 1occ h SER 89 Cb 0.42 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1occ h SER 89 CO 0.07 0.23 -0.07 -0.33 -0.87 0.00 0.00 176.83 175.86 1occ h GLU 90 N 0.46 0.80 -0.87 4.77 4.39 -0.82 -1.59 114.58 121.71 1occ h GLU 90 Ca 0.36 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 59.80 1occ h GLU 90 Cb 0.77 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.31 1occ h GLU 90 CO -0.12 0.90 0.58 0.28 -1.16 0.00 0.00 179.01 179.49 1occ h VAL 91 N 0.63 1.18 0.00 3.13 2.07 0.15 -0.90 116.25 122.51 1occ h VAL 91 Ca 0.11 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1occ h VAL 91 Cb 0.58 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1occ h VAL 91 CO 0.03 0.21 0.00 -0.07 0.02 0.00 0.00 177.57 177.76 1occ h LEU 92 N 1.12 0.00 0.02 2.57 4.07 -0.90 -2.59 115.31 119.60 1occ h LEU 92 Ca 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.30 1occ h LEU 92 Cb -0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1occ h LEU 92 CO -0.09 0.00 -0.01 0.15 -1.08 0.00 0.00 178.44 177.41 1occ h PHE 93 N 0.00 -0.02 0.00 1.13 3.57 -0.19 -3.03 116.94 118.40 1occ h PHE 93 Ca 0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1occ h PHE 93 Cb 0.77 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1occ h PHE 93 CO 0.00 0.49 -0.04 0.74 -2.23 0.00 0.00 178.31 177.27 1occ h PHE 94 N -0.55 0.00 0.00 0.41 0.04 -1.36 -2.11 116.94 113.37 1occ h PHE 94 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1occ h PHE 94 Cb 0.52 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 1occ h PHE 94 CO 0.10 0.04 -0.04 1.15 -0.60 0.00 0.00 178.31 178.97 1occ h THR 95 N 0.00 0.75 -0.63 -1.55 2.02 -1.33 -0.78 112.91 111.39 1occ h THR 95 Ca -0.00 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 1occ h THR 95 Cb 0.08 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1occ h THR 95 CO 0.01 0.04 0.07 1.23 0.37 0.00 0.00 175.52 177.23 1occ h GLY 96 N 0.16 1.13 1.99 2.16 0.00 -1.39 -1.90 103.07 105.23 1occ h GLY 96 Ca -0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 47.33 46.42 1occ h GLY 96 CO 0.00 0.71 -0.65 0.74 0.00 0.00 0.00 176.54 177.34 1occ h PHE 97 N 0.98 0.01 0.01 5.60 0.04 -1.27 -1.17 116.94 121.13 1occ h PHE 97 Ca 0.19 -0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.75 1occ h PHE 97 Cb 0.47 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 1occ h PHE 97 CO 0.03 0.65 -0.98 0.74 -0.60 0.00 0.00 178.31 178.15 1occ h PHE 98 N 0.00 0.03 0.32 -0.55 0.04 -1.36 -2.06 116.94 113.36 1occ h PHE 98 Ca -0.01 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1occ h PHE 98 Cb 1.15 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.30 1occ h PHE 98 CO 0.00 0.99 -0.15 2.35 -0.60 0.00 0.00 178.31 180.89 1occ h TRP 99 N 0.01 -0.40 -0.04 -0.55 2.91 -1.12 -0.04 115.95 116.71 1occ h TRP 99 Ca -0.02 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.03 1occ h TRP 99 Cb 1.73 0.13 -0.06 0.00 -0.51 0.00 0.00 29.16 30.45 1occ h TRP 99 CO 0.00 -0.19 -0.43 0.00 -1.03 0.00 0.00 178.44 176.79 1occ h ALA 100 N 0.13 -0.68 -0.04 2.65 0.00 -1.22 0.23 119.26 120.33 1occ h ALA 100 Ca -0.04 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1occ h ALA 100 Cb 0.39 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1occ h ALA 100 CO 0.07 -0.97 -0.37 0.35 0.00 0.00 0.00 179.25 178.34 1occ h PHE 101 N -0.56 -1.02 -0.36 0.00 3.57 -1.21 -1.72 116.94 115.63 1occ h PHE 101 Ca 0.05 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1occ h PHE 101 Cb 0.65 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1occ h PHE 101 CO -0.45 -0.45 0.22 1.88 -2.23 0.00 0.00 178.31 177.28 1occ h TYR 102 N -0.50 0.46 -0.51 0.41 0.05 -0.64 -0.50 116.97 115.75 1occ h TYR 102 Ca 0.06 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 1occ h TYR 102 Cb 0.60 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 1occ h TYR 102 CO -0.40 0.31 0.32 1.25 -1.05 0.00 0.00 178.16 178.59 1occ h HIS 103 N 0.49 0.67 -0.02 4.88 2.76 -0.09 -0.50 115.15 123.35 1occ h HIS 103 Ca 0.13 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 1occ h HIS 103 Cb -0.02 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.72 1occ h HIS 103 CO 0.00 0.45 -0.08 0.77 -1.30 0.00 0.00 177.93 177.77 1occ h SER 104 N 0.69 0.10 0.85 3.26 0.02 -0.71 -3.21 113.55 114.55 1occ h SER 104 Ca 0.18 -0.67 -0.07 0.00 -0.84 0.00 0.00 61.79 60.40 1occ h SER 104 Cb -0.03 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1occ h SER 104 CO -0.04 0.75 -0.32 0.77 -1.14 0.00 0.00 176.83 176.85 1occ h SER 105 N -0.54 0.00 1.50 3.07 4.64 -1.07 -2.90 113.55 118.25 1occ h SER 105 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1occ h SER 105 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1occ h SER 105 CO 0.02 0.32 -0.51 -0.07 -0.87 0.00 0.00 176.83 175.72 1occ h LEU 106 N 0.00 0.00 -6.06 5.97 3.38 -1.20 -3.40 115.31 114.01 1occ h LEU 106 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1occ h LEU 106 Cb 0.83 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.22 1occ h LEU 106 CO 0.04 0.16 -1.01 0.00 0.09 0.00 0.00 178.44 177.72 1occ n ALA 107 N -2.18 2.26 -1.90 1.53 0.00 -1.18 -5.10 120.51 113.95 1occ n ALA 107 Ca 0.01 -3.11 -0.42 0.00 0.00 0.00 0.00 53.44 49.92 1occ n ALA 107 Cb 0.61 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 1occ n ALA 107 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1occ s PRO 108 N -0.54 4.18 0.61 0.00 0.02 -1.10 -4.77 135.00 133.39 1occ s PRO 108 Ca 0.34 2.35 -0.17 0.00 0.02 0.00 0.00 61.00 63.54 1occ s PRO 108 Cb 0.12 -3.86 -0.02 0.00 0.02 0.00 0.00 34.50 30.75 1occ s PRO 108 CO -0.15 -0.83 1.12 0.95 -0.33 0.00 0.00 177.00 177.77 1occ s THR 109 N 3.55 3.17 0.49 0.99 -4.23 -1.26 -4.49 115.64 113.87 1occ s THR 109 Ca 0.77 0.62 0.22 0.00 -1.18 0.00 0.00 61.69 62.12 1occ s THR 109 Cb -0.38 -3.17 0.38 0.00 1.34 0.00 0.00 72.50 70.67 1occ s THR 109 CO 0.33 -0.26 1.97 1.55 -0.54 0.00 0.00 174.62 177.67 1occ h PRO 110 N 0.52 0.15 0.00 3.99 0.13 -1.93 -1.17 132.00 133.68 1occ h PRO 110 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1occ h PRO 110 Cb 1.26 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1occ h PRO 110 CO 0.55 0.10 0.00 0.39 -0.23 0.00 0.00 178.00 178.81 1occ n GLU 111 N -4.41 0.04 0.06 0.86 4.71 -1.26 -0.58 120.64 120.06 1occ n GLU 111 Ca 0.11 0.44 0.11 0.00 -0.01 0.00 0.00 57.16 57.82 1occ n GLU 111 Cb 0.58 -1.60 -0.06 0.00 -1.01 0.00 0.00 31.44 29.34 1occ n GLU 111 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1occ n LEU 112 N -1.68 0.52 0.00 -4.62 4.32 -0.46 -4.91 117.00 110.16 1occ n LEU 112 Ca 0.01 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 1occ n LEU 112 Cb 0.08 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 1occ n LEU 112 CO 0.07 -0.11 0.00 0.61 -1.22 0.00 0.00 177.39 176.74 1occ n GLY 113 N 1.22 1.28 2.36 -0.72 0.00 0.25 -1.96 105.19 107.62 1occ n GLY 113 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1occ n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1occ n GLY 114 N -0.40 -0.20 3.48 -0.02 0.00 -1.08 -4.95 105.19 102.02 1occ n GLY 114 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1occ n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1occ s TRP 116 N -3.82 0.01 0.54 0.00 -0.11 -1.26 -3.43 118.94 110.87 1occ s TRP 116 Ca 0.28 0.18 -0.20 0.00 1.22 0.00 0.00 56.10 57.58 1occ s TRP 116 Cb 0.01 -0.23 -0.06 0.00 -1.50 0.00 0.00 33.47 31.70 1occ s TRP 116 CO 0.12 -0.10 1.15 -2.14 -4.62 0.00 0.00 176.95 171.36 1occ s PRO 117 N 1.14 3.32 0.58 5.86 0.02 -1.26 -4.94 135.00 139.72 1occ s PRO 117 Ca -0.08 1.69 -0.18 0.00 0.02 0.00 0.00 61.00 62.44 1occ s PRO 117 Cb -0.13 -2.04 -0.08 0.00 0.02 0.00 0.00 34.50 32.28 1occ s PRO 117 CO -0.03 -0.89 0.61 -0.35 -0.33 0.00 0.00 177.00 176.01 1occ n PRO 118 N -1.26 0.58 -1.84 5.54 -0.04 -1.22 -4.86 135.00 131.90 1occ n PRO 118 Ca 0.12 0.23 -0.41 0.00 -0.04 0.00 0.00 63.50 63.39 1occ n PRO 118 Cb 0.50 -1.80 -0.00 0.00 -0.04 0.00 0.00 33.50 32.16 1occ n PRO 118 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1occ s THR 119 N -1.68 2.12 0.00 0.52 -4.23 -0.83 -2.30 115.64 109.25 1occ s THR 119 Ca 0.70 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 1occ s THR 119 Cb -0.44 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1occ s THR 119 CO 0.53 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 1occ n GLY 120 N 0.55 1.81 3.73 3.99 0.00 -1.26 -4.98 105.19 109.04 1occ n GLY 120 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1occ n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1occ s ILE 121 N -2.47 5.32 -0.64 -0.61 -1.09 -0.97 -5.04 121.20 115.70 1occ s ILE 121 Ca 0.00 0.49 -0.04 0.00 -2.23 0.00 0.00 60.65 58.87 1occ s ILE 121 Cb 0.00 -3.60 0.16 0.00 -1.58 0.00 0.00 42.46 37.44 1occ s ILE 121 CO 0.00 0.40 0.46 -1.00 -1.23 0.00 0.00 174.94 173.58 1occ s HIS 122 N 0.42 3.45 0.69 3.97 3.76 -1.26 -4.90 115.29 121.42 1occ s HIS 122 Ca 0.15 -2.62 -0.17 0.00 -0.15 0.00 0.00 55.06 52.28 1occ s HIS 122 Cb -0.13 -3.27 -0.00 0.00 1.11 0.00 0.00 32.58 30.29 1occ s HIS 122 CO 0.03 -0.86 1.03 -0.35 -0.85 0.00 0.00 174.74 173.73 1occ n PRO 123 N 3.59 0.66 -1.42 8.40 -0.04 -1.26 -4.76 135.00 140.17 1occ n PRO 123 Ca 0.08 0.28 -0.30 0.00 -0.04 0.00 0.00 63.50 63.52 1occ n PRO 123 Cb 0.39 -2.27 0.12 0.00 -0.04 0.00 0.00 33.50 31.70 1occ n PRO 123 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1occ s LEU 124 N -3.22 2.29 -0.25 1.53 1.43 -1.26 -5.01 118.68 114.18 1occ s LEU 124 Ca 0.75 1.27 -0.16 0.00 -1.03 0.00 0.00 54.13 54.97 1occ s LEU 124 Cb -0.36 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 1occ s LEU 124 CO 0.48 -2.38 0.41 0.21 0.23 0.00 0.00 176.35 175.30 1occ s ASN 125 N -3.76 6.33 0.40 2.29 3.84 -1.26 -4.95 114.94 117.83 1occ s ASN 125 Ca 0.63 0.38 0.09 0.00 0.21 0.00 0.00 52.86 54.17 1occ s ASN 125 Cb -0.16 -2.23 0.88 0.00 -0.55 0.00 0.00 41.25 39.19 1occ s ASN 125 CO 0.55 -0.19 1.99 1.55 -2.79 0.00 0.00 177.10 178.22 1occ h PRO 126 N 7.98 0.56 0.00 0.43 0.13 -1.93 -1.38 132.00 137.79 1occ h PRO 126 Ca -0.32 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1occ h PRO 126 Cb 1.16 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1occ h PRO 126 CO 0.67 0.37 0.00 1.28 -0.23 0.00 0.00 178.00 180.09 1occ n LEU 127 N -4.48 0.00 0.00 1.56 7.99 -1.26 -1.32 117.00 119.49 1occ n LEU 127 Ca 0.09 0.27 0.00 0.00 -0.01 0.00 0.00 56.01 56.35 1occ n LEU 127 Cb 0.24 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 1occ n LEU 127 CO 0.34 -0.12 0.00 1.21 -1.51 0.00 0.00 177.39 177.32 1occ n GLU 128 N -1.27 0.00 -0.13 3.23 4.07 -0.52 -4.66 120.64 121.37 1occ n GLU 128 Ca 0.08 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.18 1occ n GLU 128 Cb 0.13 0.00 0.24 0.00 -0.06 0.00 0.00 31.44 31.75 1occ n GLU 128 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1occ h VAL 129 N 0.00 1.20 -0.78 6.31 2.07 -1.82 -2.51 116.25 120.71 1occ h VAL 129 Ca 0.00 -0.60 0.12 0.00 0.82 0.00 0.00 66.70 67.04 1occ h VAL 129 Cb 0.00 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1occ h VAL 129 CO 0.00 0.24 0.51 -0.65 0.02 0.00 0.00 177.57 177.70 1occ h PRO 130 N 0.81 0.58 -0.48 1.57 0.11 -1.74 0.27 132.00 133.12 1occ h PRO 130 Ca 0.20 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.16 1occ h PRO 130 Cb 0.13 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1occ h PRO 130 CO -0.02 0.39 -0.14 1.25 -0.21 0.00 0.00 178.00 179.27 1occ h LEU 131 N 0.60 0.91 0.37 2.35 6.46 -0.76 -1.98 115.31 123.25 1occ h LEU 131 Ca 0.37 -0.30 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1occ h LEU 131 Cb 0.62 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1occ h LEU 131 CO -0.14 1.05 -0.18 0.25 -0.62 0.00 0.00 178.44 178.80 1occ h LEU 132 N 0.81 -0.42 -1.62 2.25 6.46 -0.47 -2.07 115.31 120.26 1occ h LEU 132 Ca 0.13 -0.09 0.20 0.00 -0.12 0.00 0.00 57.88 58.00 1occ h LEU 132 Cb 0.67 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.65 1occ h LEU 132 CO 0.05 -0.15 0.58 0.78 -0.62 0.00 0.00 178.44 179.08 1occ h ASN 133 N -0.68 0.32 -0.04 1.25 -0.26 -0.54 0.03 115.58 115.66 1occ h ASN 133 Ca -0.05 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 1occ h ASN 133 Cb 0.48 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.71 1occ h ASN 133 CO 0.08 0.13 -0.01 0.74 -1.06 0.00 0.00 177.43 177.32 1occ h THR 134 N 0.33 1.29 -0.08 2.81 2.02 -1.07 -2.14 112.91 116.06 1occ h THR 134 Ca 0.44 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 1occ h THR 134 Cb 1.20 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 1occ h THR 134 CO -0.14 0.24 -0.27 0.77 0.37 0.00 0.00 175.52 176.49 1occ h SER 135 N -0.26 0.14 0.56 4.18 4.64 -0.38 -1.29 113.55 121.13 1occ h SER 135 Ca 0.01 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1occ h SER 135 Cb 0.39 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1occ h SER 135 CO 0.00 0.42 -0.27 0.58 -0.87 0.00 0.00 176.83 176.69 1occ h VAL 136 N 0.13 0.29 -0.55 0.95 2.07 -1.01 -1.56 116.25 116.57 1occ h VAL 136 Ca 0.02 -0.38 0.10 0.00 0.82 0.00 0.00 66.70 67.26 1occ h VAL 136 Cb 0.56 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 1occ h VAL 136 CO 0.04 0.04 0.11 -0.07 0.02 0.00 0.00 177.57 177.71 1occ h LEU 137 N -1.04 -0.01 -1.10 2.57 4.07 -1.20 -1.12 115.31 117.48 1occ h LEU 137 Ca -0.08 0.10 0.03 0.00 0.08 0.00 0.00 57.88 58.01 1occ h LEU 137 Cb 0.64 0.14 -0.05 0.00 1.08 0.00 0.00 40.66 42.47 1occ h LEU 137 CO 0.13 0.01 0.61 -0.07 -1.08 0.00 0.00 178.44 178.04 1occ h LEU 138 N 0.24 1.02 -0.60 1.67 3.38 -1.23 -2.35 115.31 117.44 1occ h LEU 138 Ca 0.28 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 1occ h LEU 138 Cb 0.40 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1occ h LEU 138 CO -0.37 0.72 -0.02 0.00 0.09 0.00 0.00 178.44 178.86 1occ h ALA 139 N 1.45 0.81 0.00 1.53 0.00 -0.16 -1.38 119.26 121.51 1occ h ALA 139 Ca 0.36 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1occ h ALA 139 Cb -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1occ h ALA 139 CO -0.10 0.67 0.00 0.66 0.00 0.00 0.00 179.25 180.48 1occ h SER 140 N 0.97 0.00 -0.16 0.00 4.64 -0.97 0.56 113.55 118.59 1occ h SER 140 Ca 0.17 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 1occ h SER 140 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1occ h SER 140 CO 0.03 0.00 -0.34 1.23 -0.87 0.00 0.00 176.83 176.88 1occ h GLY 141 N 1.09 0.57 1.47 -0.77 0.00 -0.75 -1.02 103.07 103.66 1occ h GLY 141 Ca 0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 47.33 46.47 1occ h GLY 141 CO 0.00 0.61 -0.64 -0.39 0.00 0.00 0.00 176.54 176.12 1occ h VAL 142 N 0.16 1.33 -0.17 4.60 -1.51 -0.81 -2.89 116.25 116.97 1occ h VAL 142 Ca 0.00 -1.93 -0.16 0.00 -1.23 0.00 0.00 66.70 63.38 1occ h VAL 142 Cb 0.94 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 32.00 1occ h VAL 142 CO 0.08 0.60 -0.56 0.77 -1.23 0.00 0.00 177.57 177.22 1occ h SER 143 N 0.40 0.58 0.55 4.19 4.64 -0.99 -1.78 113.55 121.14 1occ h SER 143 Ca -0.01 -0.32 -0.04 0.00 -0.47 0.00 0.00 61.79 60.95 1occ h SER 143 Cb 1.21 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1occ h SER 143 CO 0.12 1.02 -0.21 -0.29 -0.87 0.00 0.00 176.83 176.60 1occ h ILE 144 N 0.40 0.70 -0.16 0.95 2.10 -1.16 -1.38 117.51 118.96 1occ h ILE 144 Ca 0.00 -0.89 -0.19 0.00 1.08 0.00 0.00 64.86 64.87 1occ h ILE 144 Cb 1.10 1.56 0.01 0.00 -1.09 0.00 0.00 36.82 38.40 1occ h ILE 144 CO 0.10 0.21 -0.63 0.74 -1.08 0.00 0.00 178.15 177.49 1occ h THR 145 N 0.00 1.31 -0.64 2.19 2.02 -1.25 -1.36 112.91 115.18 1occ h THR 145 Ca -0.00 -1.87 0.03 0.00 0.77 0.00 0.00 66.41 65.34 1occ h THR 145 Cb 0.54 2.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.91 1occ h THR 145 CO 0.03 0.58 0.39 -0.25 0.37 0.00 0.00 175.52 176.64 1occ h TRP 146 N 0.40 0.73 -0.13 3.16 7.01 -0.68 -1.47 115.95 124.97 1occ h TRP 146 Ca -0.03 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.02 1occ h TRP 146 Cb 1.26 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 28.06 1occ h TRP 146 CO 0.09 0.41 -0.06 0.00 -2.79 0.00 0.00 178.44 176.10 1occ h ALA 147 N 1.28 0.05 -0.92 2.65 0.00 -1.11 -0.45 119.26 120.76 1occ h ALA 147 Ca 0.26 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.30 1occ h ALA 147 Cb 0.03 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1occ h ALA 147 CO -0.11 -0.51 0.57 1.25 0.00 0.00 0.00 179.25 180.45 1occ h HIS 148 N -0.04 1.05 -0.15 0.00 -0.00 -0.79 -1.07 115.15 114.14 1occ h HIS 148 Ca 0.07 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.33 1occ h HIS 148 Cb 0.15 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 1occ h HIS 148 CO -0.19 0.49 -0.51 0.45 -0.00 0.00 0.00 177.93 178.17 1occ h HIS 149 N 0.99 0.51 -0.32 5.26 -0.00 -0.51 -2.61 115.15 118.47 1occ h HIS 149 Ca 0.42 -0.17 -0.06 0.00 -0.00 0.00 0.00 60.37 60.56 1occ h HIS 149 Cb 0.27 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 1occ h HIS 149 CO -0.02 0.84 -0.05 0.77 -0.00 0.00 0.00 177.93 179.46 1occ h SER 150 N 0.32 0.59 -0.59 2.45 0.02 -0.41 -2.66 113.55 113.27 1occ h SER 150 Ca 0.01 -0.35 0.08 0.00 -0.84 0.00 0.00 61.79 60.70 1occ h SER 150 Cb 1.01 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 63.32 1occ h SER 150 CO 0.09 0.80 0.24 0.25 -1.14 0.00 0.00 176.83 177.07 1occ h LEU 151 N 0.37 0.27 -1.56 5.07 5.85 -1.12 0.28 115.31 124.47 1occ h LEU 151 Ca 0.08 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1occ h LEU 151 Cb 0.53 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1occ h LEU 151 CO 0.03 0.17 -0.11 0.24 -0.34 0.00 0.00 178.44 178.42 1occ h MET 152 N 0.44 0.00 -0.66 1.25 0.00 -1.41 -1.56 114.93 112.99 1occ h MET 152 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.99 1occ h MET 152 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.92 1occ h MET 152 CO -0.27 0.11 0.00 0.39 0.00 0.00 0.00 176.91 177.15 1occ n GLU 153 N -3.34 3.46 -1.67 1.72 1.02 -0.04 -4.87 120.64 116.91 1occ n GLU 153 Ca -0.00 -2.69 -0.20 0.00 -0.02 0.00 0.00 57.16 54.24 1occ n GLU 153 Cb 0.32 -1.82 -0.08 0.00 -0.02 0.00 0.00 31.44 29.83 1occ n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1occ n GLY 154 N 1.18 1.70 3.45 0.62 0.00 -0.51 -4.90 105.19 106.73 1occ n GLY 154 Ca 0.24 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 1occ n GLY 154 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1occ n ASP 155 N -1.35 5.17 -0.23 1.61 -0.08 -0.43 -4.89 116.55 116.35 1occ n ASP 155 Ca -0.21 -2.97 -0.09 0.00 -1.51 0.00 0.00 54.79 50.00 1occ n ASP 155 Cb 0.67 -1.60 -0.05 0.00 2.34 0.00 0.00 41.12 42.48 1occ n ASP 155 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1occ h ARG 156 N 7.13 -0.21 -0.21 -0.67 2.43 -1.91 -1.35 114.38 119.60 1occ h ARG 156 Ca 0.34 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.57 1occ h ARG 156 Cb 0.86 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.42 1occ h ARG 156 CO 1.30 -0.14 -0.02 -0.22 -1.51 0.00 0.00 179.97 179.38 1occ h LYS 157 N -0.22 0.04 -0.66 0.20 3.64 -1.99 -1.84 116.57 115.75 1occ h LYS 157 Ca 0.16 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1occ h LYS 157 Cb 0.55 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1occ h LYS 157 CO -0.72 0.03 0.17 0.45 -2.27 0.00 0.00 179.45 177.10 1occ h HIS 158 N 0.04 1.10 -0.91 1.91 3.86 -1.87 0.13 115.15 119.41 1occ h HIS 158 Ca 0.10 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1occ h HIS 158 Cb 0.13 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.25 1occ h HIS 158 CO -0.20 0.91 0.53 1.98 0.86 0.00 0.00 177.93 182.01 1occ h MET 159 N 0.98 1.24 -0.52 2.45 1.85 -1.08 0.16 114.93 120.01 1occ h MET 159 Ca 0.21 -0.12 -0.07 0.00 -0.61 0.00 0.00 59.70 59.10 1occ h MET 159 Cb 0.35 -0.25 -0.02 0.00 0.43 0.00 0.00 31.60 32.11 1occ h MET 159 CO 0.00 0.88 0.04 -0.07 -0.40 0.00 0.00 176.91 177.36 1occ h LEU 160 N 1.26 0.86 -0.28 3.39 4.07 -0.75 -0.46 115.31 123.40 1occ h LEU 160 Ca 0.32 -0.29 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1occ h LEU 160 Cb -0.02 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.47 1occ h LEU 160 CO -0.06 0.94 0.09 -0.61 -1.08 0.00 0.00 178.44 177.72 1occ h GLN 161 N 0.76 0.43 -0.53 1.13 4.15 0.25 -1.35 115.11 119.95 1occ h GLN 161 Ca 0.15 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 59.36 1occ h GLN 161 Cb 0.47 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1occ h GLN 161 CO 0.02 0.49 -0.15 0.00 -1.93 0.00 0.00 178.83 177.26 1occ h ALA 162 N 0.92 0.74 -0.18 3.38 0.00 -0.60 -1.43 119.26 122.09 1occ h ALA 162 Ca 0.09 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1occ h ALA 162 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1occ h ALA 162 CO -0.00 0.68 -0.13 1.25 0.00 0.00 0.00 179.25 181.04 1occ h LEU 163 N 0.90 0.28 0.02 0.00 6.46 -0.97 -0.79 115.31 121.21 1occ h LEU 163 Ca 0.13 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1occ h LEU 163 Cb 0.72 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1occ h LEU 163 CO 0.06 0.44 -0.01 0.15 -0.62 0.00 0.00 178.44 178.46 1occ h PHE 164 N 0.28 -0.02 -0.38 1.25 3.57 -0.87 -1.90 116.94 118.86 1occ h PHE 164 Ca 0.05 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1occ h PHE 164 Cb 0.40 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 1occ h PHE 164 CO 0.01 0.53 0.02 0.82 -2.23 0.00 0.00 178.31 177.46 1occ h ILE 165 N -0.59 0.74 -0.37 1.41 2.04 -1.09 -1.59 117.51 118.06 1occ h ILE 165 Ca -0.00 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.88 1occ h ILE 165 Cb 0.56 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1occ h ILE 165 CO 0.00 0.02 0.01 0.74 0.00 0.00 0.00 178.15 178.93 1occ h THR 166 N 0.13 0.74 -0.41 -0.27 2.02 -1.15 -2.01 112.91 111.96 1occ h THR 166 Ca 0.19 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.34 1occ h THR 166 Cb 0.25 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1occ h THR 166 CO -0.29 0.02 0.24 0.40 0.37 0.00 0.00 175.52 176.26 1occ h ILE 167 N 0.12 1.05 -0.20 3.11 2.04 -0.78 -2.12 117.51 120.72 1occ h ILE 167 Ca 0.18 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1occ h ILE 167 Cb 0.24 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1occ h ILE 167 CO -0.29 0.09 -0.12 0.71 0.00 0.00 0.00 178.15 178.54 1occ h THR 168 N 0.49 1.19 -0.42 -0.27 1.35 -0.64 -1.17 112.91 113.45 1occ h THR 168 Ca 0.16 -0.85 -0.11 0.00 -0.55 0.00 0.00 66.41 65.07 1occ h THR 168 Cb 0.00 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 1occ h THR 168 CO -0.07 0.27 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.22 1occ h LEU 169 N 0.30 0.81 -0.92 3.87 3.38 -1.04 0.27 115.31 121.99 1occ h LEU 169 Ca 0.06 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1occ h LEU 169 Cb 0.40 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1occ h LEU 169 CO 0.02 0.98 0.14 1.23 0.09 0.00 0.00 178.44 180.90 1occ h GLY 170 N 0.96 1.01 1.01 0.83 0.00 -0.59 -1.05 103.07 105.24 1occ h GLY 170 Ca 0.11 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 1occ h GLY 170 CO 0.05 0.56 -0.39 -2.08 0.00 0.00 0.00 176.54 174.68 1occ h VAL 171 N 0.90 1.30 -0.50 4.60 2.07 -0.73 -2.48 116.25 121.42 1occ h VAL 171 Ca 0.19 -1.59 0.07 0.00 0.82 0.00 0.00 66.70 66.19 1occ h VAL 171 Cb 0.33 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 1occ h VAL 171 CO 0.00 0.51 0.18 0.22 0.02 0.00 0.00 177.57 178.50 1occ h TYR 172 N 0.46 0.32 -0.62 1.57 3.20 -0.12 -0.13 116.97 121.64 1occ h TYR 172 Ca 0.02 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1occ h TYR 172 Cb 0.98 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 1occ h TYR 172 CO 0.08 0.11 0.38 0.35 -1.64 0.00 0.00 178.16 177.44 1occ h PHE 173 N 0.36 0.81 -0.13 -3.82 3.04 -1.13 -0.22 116.94 115.86 1occ h PHE 173 Ca 0.24 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.22 1occ h PHE 173 Cb 0.25 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.46 1occ h PHE 173 CO -0.16 0.55 -0.04 1.15 -2.02 0.00 0.00 178.31 177.79 1occ h THR 174 N 0.84 0.85 0.25 4.41 2.02 -0.72 0.17 112.91 120.74 1occ h THR 174 Ca 0.22 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 1occ h THR 174 Cb -0.04 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1occ h THR 174 CO -0.04 0.00 -0.12 -0.07 0.37 0.00 0.00 175.52 175.66 1occ h LEU 175 N -0.01 -0.29 -0.58 2.58 3.38 -0.74 0.13 115.31 119.78 1occ h LEU 175 Ca 0.07 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.11 1occ h LEU 175 Cb 0.11 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 1occ h LEU 175 CO -0.14 -0.15 0.14 -0.07 0.09 0.00 0.00 178.44 178.30 1occ h LEU 176 N -0.39 0.03 -0.86 1.67 3.38 -0.85 0.83 115.31 119.12 1occ h LEU 176 Ca -0.03 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1occ h LEU 176 Cb 0.30 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1occ h LEU 176 CO 0.06 0.03 0.02 -0.61 0.09 0.00 0.00 178.44 178.03 1occ h GLN 177 N 0.28 0.86 -0.56 1.13 5.75 -0.38 -1.63 115.11 120.56 1occ h GLN 177 Ca 0.30 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1occ h GLN 177 Cb 0.43 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 1occ h GLN 177 CO -0.37 0.85 0.33 0.00 -2.65 0.00 0.00 178.83 176.98 1occ h ALA 178 N 1.21 0.71 -0.56 3.38 0.00 0.15 -1.83 119.26 122.31 1occ h ALA 178 Ca 0.16 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1occ h ALA 178 Cb 0.46 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1occ h ALA 178 CO 0.02 0.20 0.01 0.66 0.00 0.00 0.00 179.25 180.14 1occ h SER 179 N 0.75 0.97 -0.73 0.00 4.64 -0.66 -2.33 113.55 116.19 1occ h SER 179 Ca 0.20 -0.30 0.11 0.00 -0.47 0.00 0.00 61.79 61.32 1occ h SER 179 Cb 0.00 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 61.76 1occ h SER 179 CO -0.04 1.03 0.34 -0.33 -0.87 0.00 0.00 176.83 176.97 1occ h GLU 180 N 0.87 0.55 0.03 4.77 4.39 -0.79 0.19 114.58 124.60 1occ h GLU 180 Ca 0.16 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.84 1occ h GLU 180 Cb 0.54 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1occ h GLU 180 CO 0.03 0.36 -0.09 1.88 -1.16 0.00 0.00 179.01 180.02 1occ h TYR 181 N 0.56 -0.24 -0.28 4.33 -1.99 -0.98 0.28 116.97 118.66 1occ h TYR 181 Ca 0.37 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 61.07 1occ h TYR 181 Cb 0.44 0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 1occ h TYR 181 CO -0.12 -0.15 0.03 -0.92 -0.00 0.00 0.00 178.16 177.00 1occ h TYR 182 N -0.18 0.41 0.00 4.88 3.20 -0.61 -2.36 116.97 122.32 1occ h TYR 182 Ca 0.03 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1occ h TYR 182 Cb 0.21 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1occ h TYR 182 CO -0.14 0.40 -0.67 0.39 -1.64 0.00 0.00 178.16 176.50 1occ n GLU 183 N -4.34 0.19 -1.68 1.82 -0.58 0.53 -4.91 120.64 111.66 1occ n GLU 183 Ca 0.01 0.04 -0.45 0.00 -0.42 0.00 0.00 57.16 56.33 1occ n GLU 183 Cb 0.19 -1.60 -0.04 0.00 -0.57 0.00 0.00 31.44 29.42 1occ n GLU 183 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1occ n ALA 184 N -1.71 1.55 1.45 0.62 0.00 0.95 -4.84 120.51 118.54 1occ n ALA 184 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1occ n ALA 184 Cb 0.40 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1occ n ALA 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1occ n PRO 185 N 3.90 0.92 -4.10 0.00 -0.04 -1.26 -4.79 135.00 129.63 1occ n PRO 185 Ca 0.17 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.55 1occ n PRO 185 Cb 0.30 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 1occ n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1occ s PHE 186 N -1.58 0.65 0.39 0.54 -0.12 -1.26 -4.82 117.98 111.77 1occ s PHE 186 Ca 0.00 -1.10 0.04 0.00 -0.05 0.00 0.00 56.93 55.82 1occ s PHE 186 Cb 0.00 -0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 41.97 1occ s PHE 186 CO 0.00 -0.46 0.16 0.95 -0.05 0.00 0.00 175.22 175.81 1occ s THR 187 N -3.98 0.47 0.33 -4.49 -4.23 -1.26 -5.01 115.64 97.48 1occ s THR 187 Ca 0.15 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.70 1occ s THR 187 Cb 0.07 -2.38 0.29 0.00 1.34 0.00 0.00 72.50 71.83 1occ s THR 187 CO -0.04 0.00 1.91 0.40 -0.54 0.00 0.00 174.62 176.35 1occ h ILE 188 N 1.87 1.00 0.00 2.99 5.03 -1.96 -0.94 117.51 125.50 1occ h ILE 188 Ca -0.33 -0.30 0.00 0.00 -0.12 0.00 0.00 64.86 64.11 1occ h ILE 188 Cb 1.26 0.05 0.00 0.00 -3.03 0.00 0.00 36.82 35.10 1occ h ILE 188 CO 0.53 0.16 0.00 -1.54 -0.68 0.00 0.00 178.15 176.62 1occ n SER 189 N -4.51 0.00 -3.50 1.72 3.41 -1.26 -3.35 113.62 106.14 1occ n SER 189 Ca 0.14 -0.35 -0.40 0.00 -0.26 0.00 0.00 58.87 58.00 1occ n SER 189 Cb 0.27 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 1occ n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1occ n ASP 190 N -1.16 7.25 0.00 4.04 8.00 -0.36 -4.94 116.55 129.38 1occ n ASP 190 Ca 0.14 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.81 1occ n ASP 190 Cb 0.14 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 39.72 1occ n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1occ n GLY 191 N 3.13 0.50 0.16 0.44 0.00 -1.26 -2.46 105.19 105.69 1occ n GLY 191 Ca 0.65 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.83 1occ n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1occ h VAL 192 N 0.00 1.32 0.02 1.61 3.04 -1.92 -2.47 116.25 117.86 1occ h VAL 192 Ca 0.00 -1.82 -0.00 0.00 -1.01 0.00 0.00 66.70 63.86 1occ h VAL 192 Cb 0.00 2.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 1occ h VAL 192 CO 0.00 0.51 -0.01 0.22 -1.01 0.00 0.00 177.57 177.28 1occ h TYR 193 N 0.00 -0.03 -0.76 3.17 5.03 -1.95 -0.83 116.97 121.60 1occ h TYR 193 Ca -0.01 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 1occ h TYR 193 Cb 0.96 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 39.21 1occ h TYR 193 CO 0.00 0.18 0.34 0.78 -1.32 0.00 0.00 178.16 178.13 1occ h GLY 194 N -0.23 1.18 0.96 1.82 0.00 -1.47 -1.26 103.07 104.08 1occ h GLY 194 Ca -0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 1occ h GLY 194 CO 0.00 0.57 -0.43 1.76 0.00 0.00 0.00 176.54 178.44 1occ h SER 195 N 1.08 -1.02 -0.92 0.19 0.02 -1.26 -0.04 113.55 111.60 1occ h SER 195 Ca 0.26 0.03 0.19 0.00 -0.84 0.00 0.00 61.79 61.43 1occ h SER 195 Cb 0.15 0.26 -0.11 0.00 0.14 0.00 0.00 62.40 62.84 1occ h SER 195 CO -0.03 -0.70 0.49 0.74 -1.14 0.00 0.00 176.83 176.19 1occ h THR 196 N -1.26 0.62 0.15 -2.27 2.02 -1.12 -1.55 112.91 109.51 1occ h THR 196 Ca -0.12 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1occ h THR 196 Cb 0.93 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1occ h THR 196 CO 0.20 0.11 -0.07 0.15 0.37 0.00 0.00 175.52 176.27 1occ h PHE 197 N 0.59 -0.19 -0.79 3.16 3.04 -1.04 -3.11 116.94 118.59 1occ h PHE 197 Ca 0.54 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.55 1occ h PHE 197 Cb 0.91 0.06 -0.05 0.00 2.56 0.00 0.00 35.95 39.43 1occ h PHE 197 CO -0.07 -0.12 0.52 0.74 -2.02 0.00 0.00 178.31 177.36 1occ h PHE 198 N -0.78 0.88 0.03 0.41 0.04 -0.96 -1.69 116.94 114.87 1occ h PHE 198 Ca -0.02 0.02 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 1occ h PHE 198 Cb 0.16 -0.29 0.01 0.00 2.20 0.00 0.00 35.95 38.03 1occ h PHE 198 CO 0.01 0.47 -1.05 -0.39 -0.60 0.00 0.00 178.31 176.76 1occ h VAL 199 N 0.87 1.35 0.51 -0.55 -1.51 -1.44 0.30 116.25 115.78 1occ h VAL 199 Ca 0.34 -2.44 -0.02 0.00 -1.23 0.00 0.00 66.70 63.34 1occ h VAL 199 Cb 0.21 2.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 1occ h VAL 199 CO -0.12 0.74 -0.24 0.00 -1.23 0.00 0.00 177.57 176.72 1occ h ALA 200 N 0.56 -0.68 0.00 5.19 0.00 -1.45 0.23 119.26 123.11 1occ h ALA 200 Ca -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1occ h ALA 200 Cb 1.70 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1occ h ALA 200 CO 0.19 -0.68 -0.08 1.79 0.00 0.00 0.00 179.25 180.47 1occ h THR 201 N -1.09 0.60 0.02 0.00 1.35 -1.45 -2.03 112.91 110.31 1occ h THR 201 Ca -0.07 -0.36 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1occ h THR 201 Cb 0.59 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1occ h THR 201 CO 0.11 0.08 -0.01 1.23 -0.25 0.00 0.00 175.52 176.69 1occ h GLY 202 N 0.53 -0.02 1.25 5.82 0.00 -0.83 -0.92 103.07 108.90 1occ h GLY 202 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1occ h GLY 202 CO 0.01 -0.01 0.49 0.74 0.00 0.00 0.00 176.54 177.77 1occ h PHE 203 N -0.69 0.96 -0.73 5.60 0.04 -0.72 -0.29 116.94 121.11 1occ h PHE 203 Ca -0.00 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1occ h PHE 203 Cb 0.65 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 1occ h PHE 203 CO 0.15 0.62 0.21 1.25 -0.60 0.00 0.00 178.31 179.94 1occ h HIS 204 N 1.03 1.19 -0.42 -0.55 2.76 -1.39 -1.32 115.15 116.45 1occ h HIS 204 Ca 0.28 -0.13 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1occ h HIS 204 Cb -0.10 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 28.49 1occ h HIS 204 CO 0.00 0.94 0.22 0.78 -1.30 0.00 0.00 177.93 178.58 1occ h GLY 205 N 1.09 0.58 1.09 5.26 0.00 0.36 -0.59 103.07 110.86 1occ h GLY 205 Ca 0.23 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1occ h GLY 205 CO -0.00 0.12 0.51 -2.00 0.00 0.00 0.00 176.54 175.17 1occ h LEU 206 N 0.45 0.79 -1.01 3.11 5.85 -0.71 -0.89 115.31 122.90 1occ h LEU 206 Ca 0.18 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 1occ h LEU 206 Cb 0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1occ h LEU 206 CO -0.11 0.53 -0.41 0.45 -0.34 0.00 0.00 178.44 178.57 1occ h HIS 207 N 0.91 0.20 -0.16 1.25 3.86 -0.02 -1.09 115.15 120.10 1occ h HIS 207 Ca 0.31 -0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.36 1occ h HIS 207 Cb 0.10 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1occ h HIS 207 CO -0.00 0.56 -0.40 0.28 0.86 0.00 0.00 177.93 179.23 1occ h VAL 208 N 0.15 1.30 -0.25 2.45 2.07 0.24 0.82 116.25 123.03 1occ h VAL 208 Ca 0.01 -1.52 -0.16 0.00 0.82 0.00 0.00 66.70 65.85 1occ h VAL 208 Cb 0.79 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1occ h VAL 208 CO 0.06 0.46 -0.47 0.40 0.02 0.00 0.00 177.57 178.05 1occ h ILE 209 N 0.30 1.30 -0.48 4.57 2.04 -1.15 -0.68 117.51 123.42 1occ h ILE 209 Ca 0.03 -1.67 -0.07 0.00 1.00 0.00 0.00 64.86 64.15 1occ h ILE 209 Cb 0.83 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1occ h ILE 209 CO 0.07 0.53 0.03 0.40 0.00 0.00 0.00 178.15 179.18 1occ h ILE 210 N 0.49 1.23 -0.03 -0.67 2.04 -0.91 -1.48 117.51 118.19 1occ h ILE 210 Ca 0.01 -0.94 -0.17 0.00 1.00 0.00 0.00 64.86 64.76 1occ h ILE 210 Cb 1.07 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1occ h ILE 210 CO 0.10 0.33 -0.74 1.23 0.00 0.00 0.00 178.15 179.08 1occ h GLY 211 N 0.96 0.21 1.16 5.37 0.00 -0.72 -2.91 103.07 107.14 1occ h GLY 211 Ca 0.15 -0.31 -0.20 0.00 0.00 0.00 0.00 47.33 46.96 1occ h GLY 211 CO 0.01 0.28 -0.65 1.76 0.00 0.00 0.00 176.54 177.94 1occ h SER 212 N 0.12 0.97 0.50 0.19 0.02 -0.81 -1.84 113.55 112.70 1occ h SER 212 Ca -0.02 -0.58 -0.07 0.00 -0.84 0.00 0.00 61.79 60.28 1occ h SER 212 Cb 1.30 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1occ h SER 212 CO 0.11 1.38 -0.33 0.71 -1.14 0.00 0.00 176.83 177.56 1occ h THR 213 N 0.62 1.03 -0.04 -2.27 1.35 -1.32 0.20 112.91 112.48 1occ h THR 213 Ca -0.02 -1.20 -0.01 0.00 -0.55 0.00 0.00 66.41 64.63 1occ h THR 213 Cb 1.27 1.69 -0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1occ h THR 213 CO 0.14 0.32 -0.00 0.15 -0.25 0.00 0.00 175.52 175.87 1occ h PHE 214 N 0.00 0.08 -0.21 4.73 3.04 -1.38 -0.33 116.94 122.87 1occ h PHE 214 Ca -0.00 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 1occ h PHE 214 Cb 0.66 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 1occ h PHE 214 CO 0.00 0.39 -0.07 -0.07 -2.02 0.00 0.00 178.31 176.54 1occ h LEU 215 N -0.26 0.30 0.12 0.59 3.38 -0.95 -0.66 115.31 117.83 1occ h LEU 215 Ca 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1occ h LEU 215 Cb 0.36 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1occ h LEU 215 CO 0.00 0.41 -0.06 0.40 0.09 0.00 0.00 178.44 179.28 1occ h ILE 216 N 0.31 0.99 -0.65 1.22 2.04 -0.67 0.98 117.51 121.73 1occ h ILE 216 Ca 0.07 -0.44 0.14 0.00 1.00 0.00 0.00 64.86 65.62 1occ h ILE 216 Cb 0.32 1.27 -0.10 0.00 -0.74 0.00 0.00 36.82 37.57 1occ h ILE 216 CO 0.01 0.11 0.06 0.58 0.00 0.00 0.00 178.15 178.91 1occ h VAL 217 N -0.36 0.51 -0.94 1.67 2.07 -0.42 0.58 116.25 119.36 1occ h VAL 217 Ca -0.02 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1occ h VAL 217 Cb 0.30 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1occ h VAL 217 CO 0.03 0.03 0.62 0.00 0.02 0.00 0.00 177.57 178.26 1occ h PHE 219 N 1.17 -0.46 -0.35 0.00 3.57 0.27 -1.70 116.94 119.45 1occ h PHE 219 Ca 0.38 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.80 1occ h PHE 219 Cb 0.03 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1occ h PHE 219 CO -0.00 -0.26 -0.15 0.74 -2.23 0.00 0.00 178.31 176.42 1occ h PHE 220 N -0.31 0.68 -0.67 0.41 0.04 -1.01 -0.92 116.94 115.15 1occ h PHE 220 Ca 0.04 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 1occ h PHE 220 Cb 0.36 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 1occ h PHE 220 CO -0.20 0.74 0.39 0.00 -0.60 0.00 0.00 178.31 178.63 1occ h ARG 221 N 0.56 0.91 -0.28 1.51 3.08 -0.90 -1.29 114.38 117.99 1occ h ARG 221 Ca 0.10 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1occ h ARG 221 Cb 0.58 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1occ h ARG 221 CO 0.04 0.66 -0.39 0.37 -1.07 0.00 0.00 179.97 179.57 1occ h GLN 222 N 0.93 0.75 -0.60 0.04 5.75 -0.65 -0.97 115.11 120.36 1occ h GLN 222 Ca 0.24 -0.44 0.12 0.00 -0.15 0.00 0.00 58.65 58.42 1occ h GLN 222 Cb -0.01 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 1occ h GLN 222 CO -0.04 1.07 0.41 -0.07 -2.65 0.00 0.00 178.83 177.54 1occ h LEU 223 N 0.50 0.26 -1.95 -2.39 3.38 -0.40 0.92 115.31 115.63 1occ h LEU 223 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1occ h LEU 223 Cb 0.98 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1occ h LEU 223 CO 0.09 0.14 0.00 0.29 0.09 0.00 0.00 178.44 179.06 1occ n LYS 224 N -4.45 2.53 -1.70 1.13 5.02 -0.56 -4.92 118.16 115.22 1occ n LYS 224 Ca 0.11 -1.62 -0.20 0.00 -2.02 0.00 0.00 58.31 54.57 1occ n LYS 224 Cb 0.47 -1.61 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 1occ n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1occ n PHE 225 N 0.55 -0.13 -0.31 2.13 3.01 0.32 -4.90 117.46 118.13 1occ n PHE 225 Ca 0.15 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.58 1occ n PHE 225 Cb 0.55 -3.46 0.09 0.00 -0.01 0.00 0.00 39.48 36.65 1occ n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1occ h HIS 226 N 0.00 1.05 -3.53 1.38 3.86 -1.40 -3.44 115.15 113.08 1occ h HIS 226 Ca -0.42 0.03 -0.53 0.00 -1.16 0.00 0.00 60.37 58.29 1occ h HIS 226 Cb 1.33 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 29.41 1occ h HIS 226 CO 0.57 0.64 0.21 -0.06 0.86 0.00 0.00 177.93 180.15 1occ s PHE 227 N -6.12 3.87 0.21 2.45 0.08 -1.26 -5.01 117.98 112.20 1occ s PHE 227 Ca -0.13 1.64 0.07 0.00 0.12 0.00 0.00 56.93 58.63 1occ s PHE 227 Cb 0.17 -2.83 -0.04 0.00 -0.57 0.00 0.00 43.02 39.74 1occ s PHE 227 CO 0.79 0.42 0.11 0.95 -0.10 0.00 0.00 175.22 177.39 1occ s THR 228 N -0.76 4.20 0.12 0.64 -4.23 -1.13 -4.98 115.64 109.51 1occ s THR 228 Ca 0.38 -1.35 0.17 0.00 -1.18 0.00 0.00 61.69 59.71 1occ s THR 228 Cb -0.23 -3.19 0.17 0.00 1.34 0.00 0.00 72.50 70.59 1occ s THR 228 CO 0.26 -0.22 1.45 0.77 -0.54 0.00 0.00 174.62 176.35 1occ h SER 229 N 2.11 0.00 0.00 3.99 4.64 -1.90 -2.56 113.55 119.84 1occ h SER 229 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1occ h SER 229 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1occ h SER 229 CO 0.61 0.00 -0.68 0.59 -0.87 0.00 0.00 176.83 176.48 1occ n ASN 230 N -2.23 3.38 -3.81 4.97 4.13 -1.26 -4.28 115.26 116.16 1occ n ASN 230 Ca -0.01 -0.16 -0.30 0.00 1.68 0.00 0.00 54.58 55.79 1occ n ASN 230 Cb 0.31 1.00 -0.15 0.00 -1.54 0.00 0.00 39.78 39.39 1occ n ASN 230 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1occ s HIS 231 N -1.68 2.06 -0.39 3.10 2.46 -0.96 -4.96 115.29 114.92 1occ s HIS 231 Ca -0.00 -1.85 0.11 0.00 0.47 0.00 0.00 55.06 53.79 1occ s HIS 231 Cb 0.00 -1.81 0.39 0.00 -0.13 0.00 0.00 32.58 31.02 1occ s HIS 231 CO 0.00 -0.84 1.15 -2.39 -2.47 0.00 0.00 174.74 170.19 1occ n HIS 232 N 4.75 -1.46 -0.34 3.88 1.44 -1.26 -2.82 115.22 119.41 1occ n HIS 232 Ca -0.03 -2.36 0.02 0.00 -2.01 0.00 0.00 57.72 53.33 1occ n HIS 232 Cb 0.43 0.95 0.16 0.00 0.12 0.00 0.00 29.99 31.65 1occ n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1occ h PHE 233 N 2.54 1.08 -1.11 -1.40 3.57 -1.97 -0.18 116.94 119.48 1occ h PHE 233 Ca -0.16 0.03 0.32 0.00 3.53 0.00 0.00 57.97 61.68 1occ h PHE 233 Cb 1.20 -0.35 -0.11 0.00 2.79 0.00 0.00 35.95 39.47 1occ h PHE 233 CO 0.29 0.55 0.71 0.78 -2.23 0.00 0.00 178.31 178.41 1occ h GLY 234 N 1.06 1.33 0.53 2.40 0.00 -2.00 0.21 103.07 106.62 1occ h GLY 234 Ca 0.40 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.41 1occ h GLY 234 CO -0.17 -0.24 -0.57 -2.75 0.00 0.00 0.00 176.54 172.81 1occ h PHE 235 N 0.31 0.41 -0.45 5.60 3.57 -1.48 -2.58 116.94 122.32 1occ h PHE 235 Ca 0.67 -0.28 0.09 0.00 3.53 0.00 0.00 57.97 61.98 1occ h PHE 235 Cb 1.80 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 40.43 1occ h PHE 235 CO -0.00 1.19 -0.10 0.93 -2.23 0.00 0.00 178.31 178.09 1occ h GLU 236 N -0.49 0.01 0.64 1.11 4.39 0.03 0.13 114.58 120.40 1occ h GLU 236 Ca -0.09 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1occ h GLU 236 Cb 1.41 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1occ h GLU 236 CO 0.11 0.00 -0.33 0.00 -1.16 0.00 0.00 179.01 177.64 1occ h ALA 237 N 1.45 -0.89 -1.06 3.43 0.00 -0.94 0.16 119.26 121.41 1occ h ALA 237 Ca 0.22 -0.19 0.30 0.00 0.00 0.00 0.00 54.91 55.24 1occ h ALA 237 Cb 0.33 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.37 1occ h ALA 237 CO -0.46 -1.00 0.65 0.78 0.00 0.00 0.00 179.25 179.22 1occ h GLY 238 N -0.88 1.65 0.70 0.00 0.00 -1.00 0.28 103.07 103.81 1occ h GLY 238 Ca -0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1occ h GLY 238 CO 0.13 -0.30 -0.19 0.00 0.00 0.00 0.00 176.54 176.18 1occ h ALA 239 N 1.71 0.17 -0.69 3.60 0.00 -0.00 -0.74 119.26 123.31 1occ h ALA 239 Ca 0.68 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1occ h ALA 239 Cb 1.63 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1occ h ALA 239 CO -0.45 0.10 0.42 -1.49 0.00 0.00 0.00 179.25 177.84 1occ h TRP 240 N -0.10 0.91 -0.41 0.00 6.55 0.23 -2.01 115.95 121.12 1occ h TRP 240 Ca 0.01 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1occ h TRP 240 Cb 0.76 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 28.75 1occ h TRP 240 CO 0.10 0.61 0.20 -0.92 -1.05 0.00 0.00 178.44 177.38 1occ h TYR 241 N 0.94 0.58 -0.53 0.49 3.20 -0.69 -1.89 116.97 119.08 1occ h TYR 241 Ca 0.25 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.13 1occ h TYR 241 Cb -0.04 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 1occ h TYR 241 CO -0.01 0.48 0.35 2.35 -1.64 0.00 0.00 178.16 179.69 1occ h TRP 242 N 0.52 0.55 -0.09 -3.82 2.91 -0.70 -1.25 115.95 114.07 1occ h TRP 242 Ca 0.14 0.01 -0.23 0.00 1.13 0.00 0.00 58.89 59.95 1occ h TRP 242 Cb 0.12 -0.18 0.01 0.00 -0.51 0.00 0.00 29.16 28.59 1occ h TRP 242 CO -0.01 0.31 -0.85 0.45 -1.03 0.00 0.00 178.44 177.31 1occ h HIS 243 N 0.56 0.91 -0.82 2.65 3.86 -0.90 -2.55 115.15 118.87 1occ h HIS 243 Ca 0.22 -0.44 0.10 0.00 -1.16 0.00 0.00 60.37 59.10 1occ h HIS 243 Cb 0.17 -0.13 -0.08 0.00 1.06 0.00 0.00 27.41 28.44 1occ h HIS 243 CO -0.00 1.25 0.46 0.35 0.86 0.00 0.00 177.93 180.85 1occ h PHE 244 N 0.42 0.83 -0.78 2.45 3.57 -0.51 -1.12 116.94 121.79 1occ h PHE 244 Ca -0.07 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 1occ h PHE 244 Cb 1.48 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1occ h PHE 244 CO 0.08 0.31 0.30 0.28 -2.23 0.00 0.00 178.31 177.05 1occ h VAL 245 N 0.75 1.26 0.23 1.41 2.07 -1.02 -0.78 116.25 120.17 1occ h VAL 245 Ca 0.41 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1occ h VAL 245 Cb 0.42 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1occ h VAL 245 CO -0.27 0.34 -0.11 0.44 0.02 0.00 0.00 177.57 177.98 1occ h ASP 246 N 1.14 -0.27 -0.71 0.57 3.32 -0.90 -2.59 116.42 116.98 1occ h ASP 246 Ca 0.26 -0.16 0.15 0.00 0.02 0.00 0.00 57.03 57.30 1occ h ASP 246 Cb 0.23 0.07 -0.10 0.00 0.22 0.00 0.00 39.33 39.74 1occ h ASP 246 CO -0.02 0.01 0.19 0.58 -1.72 0.00 0.00 179.24 178.28 1occ h VAL 247 N -0.55 0.56 -0.98 -1.35 2.07 -1.04 0.36 116.25 115.32 1occ h VAL 247 Ca -0.03 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1occ h VAL 247 Cb 0.41 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1occ h VAL 247 CO 0.05 0.05 0.63 0.58 0.02 0.00 0.00 177.57 178.90 1occ h VAL 248 N 0.30 1.26 -0.28 2.57 2.07 -1.10 -1.15 116.25 119.91 1occ h VAL 248 Ca 0.40 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1occ h VAL 248 Cb 0.65 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1occ h VAL 248 CO -0.47 0.26 -0.08 -0.25 0.02 0.00 0.00 177.57 177.04 1occ h TRP 249 N 1.33 0.48 -0.79 1.57 2.91 0.03 -0.88 115.95 120.59 1occ h TRP 249 Ca 0.35 -0.06 -0.05 0.00 1.13 0.00 0.00 58.89 60.27 1occ h TRP 249 Cb -0.12 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 28.36 1occ h TRP 249 CO 0.00 0.54 0.31 -0.07 -1.03 0.00 0.00 178.44 178.18 1occ h LEU 250 N 0.43 1.10 -0.55 0.65 3.38 0.19 0.81 115.31 121.32 1occ h LEU 250 Ca 0.09 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1occ h LEU 250 Cb 0.41 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1occ h LEU 250 CO 0.02 0.98 -0.45 -0.26 0.09 0.00 0.00 178.44 178.82 1occ h PHE 251 N 1.16 0.80 0.04 1.13 0.04 -0.91 -1.98 116.94 117.21 1occ h PHE 251 Ca 0.26 -0.25 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1occ h PHE 251 Cb 0.23 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1occ h PHE 251 CO 0.02 0.99 -0.02 -0.07 -0.60 0.00 0.00 178.31 178.63 1occ h LEU 252 N 0.53 -0.04 0.22 1.54 3.38 -0.81 0.28 115.31 120.41 1occ h LEU 252 Ca 0.03 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1occ h LEU 252 Cb 0.99 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1occ h LEU 252 CO 0.09 0.08 -0.32 0.22 0.09 0.00 0.00 178.44 178.60 1occ h TYR 253 N -0.16 -0.91 -0.97 1.13 3.20 -0.76 0.12 116.97 118.61 1occ h TYR 253 Ca -0.00 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.95 1occ h TYR 253 Cb 0.15 0.37 -0.07 0.00 1.54 0.00 0.00 36.73 38.72 1occ h TYR 253 CO -0.04 -0.40 0.63 0.28 -1.64 0.00 0.00 178.16 176.99 1occ h VAL 254 N -0.57 1.06 0.00 1.81 2.07 -1.37 -0.48 116.25 118.76 1occ h VAL 254 Ca -0.03 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1occ h VAL 254 Cb 0.52 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1occ h VAL 254 CO -0.09 0.20 -0.16 0.28 0.02 0.00 0.00 177.57 177.82 1occ h SER 255 N 1.10 0.00 0.01 0.57 0.02 -0.58 -0.91 113.55 113.76 1occ h SER 255 Ca 0.42 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.17 1occ h SER 255 Cb 0.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1occ h SER 255 CO -0.17 0.66 -0.32 0.40 -1.14 0.00 0.00 176.83 176.26 1occ h ILE 256 N -1.00 1.60 -0.05 3.27 2.04 -0.86 0.28 117.51 122.79 1occ h ILE 256 Ca -0.02 -2.33 -0.15 0.00 1.00 0.00 0.00 64.86 63.36 1occ h ILE 256 Cb 0.29 3.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.50 1occ h ILE 256 CO -0.01 0.56 -0.66 1.88 0.00 0.00 0.00 178.15 179.93 1occ h TYR 257 N -0.95 0.27 0.00 1.37 -1.99 -1.19 -3.32 116.97 111.16 1occ h TYR 257 Ca -0.08 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.54 1occ h TYR 257 Cb 1.11 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.80 1occ h TYR 257 CO 0.24 0.80 -0.36 1.87 -0.00 0.00 0.00 178.16 180.71 1occ n TRP 258 N -3.82 0.00 0.29 4.88 -0.00 -0.25 -4.18 117.44 114.36 1occ n TRP 258 Ca -0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.32 1occ n TRP 258 Cb 0.65 -0.18 -0.08 0.00 -0.00 0.00 0.00 31.31 31.70 1occ n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 1occ h TRP 259 N -0.36 -0.69 -0.23 5.87 7.01 -1.21 -3.29 115.95 123.05 1occ h TRP 259 Ca 0.00 -0.02 -0.16 0.00 2.11 0.00 0.00 58.89 60.82 1occ h TRP 259 Cb 0.36 0.23 -0.07 0.00 -2.10 0.00 0.00 29.16 27.58 1occ h TRP 259 CO -0.15 -0.36 0.17 0.41 -2.79 0.00 0.00 178.44 175.71 1occ n GLY 260 N -0.87 3.25 0.00 2.65 0.00 0.99 -5.02 105.19 106.20 1occ n GLY 260 Ca -0.12 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1occ n GLY 260 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76