#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmg s ASN 2 N 0.00 4.30 0.00 3.17 0.01 -1.26 -4.95 114.94 116.21 2kmg s ASN 2 Ca 0.00 2.57 0.00 0.00 -0.71 0.00 0.00 52.86 54.72 2kmg s ASN 2 Cb 0.00 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2kmg s ASN 2 CO 0.00 -2.21 0.36 0.35 -1.51 0.00 0.00 177.10 174.09 2kmg n THR 3 N -2.30 0.12 -4.23 1.60 -2.24 -1.26 -5.06 114.28 100.91 2kmg n THR 3 Ca 0.15 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 2kmg n THR 3 Cb 0.49 1.35 -0.08 0.00 -2.10 0.00 0.00 70.33 69.98 2kmg n THR 3 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2kmg s GLU 4 N -0.12 2.76 0.40 -0.78 2.02 -1.26 -5.09 118.70 116.63 2kmg s GLU 4 Ca 0.00 -0.66 -0.27 0.00 0.02 0.00 0.00 54.97 54.07 2kmg s GLU 4 Cb 0.00 -2.66 -0.09 0.00 0.10 0.00 0.00 34.13 31.48 2kmg s GLU 4 CO 0.00 0.60 1.38 -2.00 0.02 0.00 0.00 175.26 175.27 2kmg s GLU 5 N -1.77 3.98 0.36 1.61 2.56 -1.26 -5.03 118.70 119.15 2kmg s GLU 5 Ca 0.22 2.34 0.08 0.00 0.00 0.00 0.00 54.97 57.61 2kmg s GLU 5 Cb -0.12 -2.83 -0.04 0.00 2.00 0.00 0.00 34.13 33.15 2kmg s GLU 5 CO 0.13 -0.55 0.21 1.14 -0.56 0.00 0.00 175.26 175.63 2kmg s GLN 6 N -2.20 2.45 0.00 4.30 -2.07 -1.26 -5.14 119.66 115.75 2kmg s GLN 6 Ca 0.56 -1.52 0.00 0.00 -1.82 0.00 0.00 55.36 52.57 2kmg s GLN 6 Cb -0.42 -2.25 0.00 0.00 -1.09 0.00 0.00 33.01 29.25 2kmg s GLN 6 CO 0.55 0.04 0.00 -2.30 -1.32 0.00 0.00 175.29 172.26 2kmg n PRO 7 N -1.26 2.76 -0.34 9.60 -0.02 -1.26 -4.80 135.00 139.67 2kmg n PRO 7 Ca -0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.34 2kmg n PRO 7 Cb 0.61 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.08 2kmg n PRO 7 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2kmg n VAL 8 N 0.00 0.20 -3.90 -1.45 0.31 -1.26 -4.96 118.33 107.26 2kmg n VAL 8 Ca 0.00 -0.05 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 2kmg n VAL 8 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 2kmg n VAL 8 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2kmg s THR 9 N -0.10 0.07 0.88 2.52 -4.23 -1.26 -4.73 115.64 108.79 2kmg s THR 9 Ca 0.19 -0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 60.03 2kmg s THR 9 Cb -0.26 -0.28 0.18 0.00 1.34 0.00 0.00 72.50 73.47 2kmg s THR 9 CO 0.13 -0.31 1.21 0.00 -0.54 0.00 0.00 174.62 175.12 2kmg s ALA 10 N -0.97 2.75 0.15 3.99 0.00 -1.26 -2.22 121.76 124.19 2kmg s ALA 10 Ca -0.11 -1.40 -0.24 0.00 0.00 0.00 0.00 51.96 50.22 2kmg s ALA 10 Cb -0.06 -2.50 0.07 0.00 0.00 0.00 0.00 23.12 20.62 2kmg s ALA 10 CO 0.00 -2.11 0.67 0.45 0.00 0.00 0.00 175.76 174.78 2kmg s SER 11 N -4.84 -0.49 -0.26 0.00 0.15 -0.22 -4.90 113.70 103.14 2kmg s SER 11 Ca 0.71 -0.08 -0.21 0.00 0.70 0.00 0.00 55.95 57.08 2kmg s SER 11 Cb -0.04 0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 64.83 2kmg s SER 11 CO 0.50 -0.95 0.64 -0.22 1.20 0.00 0.00 173.24 174.41 2kmg s LEU 12 N -2.73 4.07 0.57 3.45 2.96 -1.26 -0.28 118.68 125.46 2kmg s LEU 12 Ca 0.03 0.71 -0.15 0.00 -0.22 0.00 0.00 54.13 54.50 2kmg s LEU 12 Cb -0.02 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.75 2kmg s LEU 12 CO -0.10 -0.39 1.02 -0.69 -1.32 0.00 0.00 176.35 174.88 2kmg s VAL 13 N 2.54 4.26 1.05 1.68 1.01 -1.10 -4.92 120.40 124.91 2kmg s VAL 13 Ca 0.27 1.00 -0.14 0.00 0.00 0.00 0.00 61.98 63.10 2kmg s VAL 13 Cb -0.15 -3.59 0.13 0.00 0.00 0.00 0.00 36.38 32.76 2kmg s VAL 13 CO 0.09 -0.70 0.48 0.00 0.00 0.00 0.00 175.10 174.97 2kmg n ALA 14 N -2.04 -2.98 0.08 5.51 0.00 -1.26 -4.75 120.51 115.07 2kmg n ALA 14 Ca 0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 53.44 52.54 2kmg n ALA 14 Cb 0.54 -1.79 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 2kmg n ALA 14 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kmg h GLU 15 N -2.02 0.00 -0.02 0.00 4.11 -1.99 -1.60 114.58 113.07 2kmg h GLU 15 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2kmg h GLU 15 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2kmg h GLU 15 CO 0.40 0.59 -0.32 0.00 0.07 0.00 0.00 179.01 179.75 2kmg n ALA 16 N -2.33 3.20 0.02 1.06 0.00 -1.26 -4.21 120.51 117.00 2kmg n ALA 16 Ca -0.03 -0.57 0.02 0.00 0.00 0.00 0.00 53.44 52.86 2kmg n ALA 16 Cb 0.84 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 2kmg n ALA 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kmg n GLN 17 N 0.02 0.92 0.25 0.00 1.13 -1.24 -4.60 117.38 113.86 2kmg n GLN 17 Ca 0.11 -0.03 0.11 0.00 -1.94 0.00 0.00 57.00 55.25 2kmg n GLN 17 Cb 0.45 -1.04 0.67 0.00 0.11 0.00 0.00 30.24 30.42 2kmg n GLN 17 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2kmg h ARG 18 N 0.00 0.00 0.00 -1.09 0.11 -1.46 0.20 114.38 112.14 2kmg h ARG 18 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kmg h ARG 18 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 2kmg h ARG 18 CO 0.00 0.15 0.00 1.37 0.10 0.00 0.00 179.97 181.59 2kmg h LEU 19 N 0.00 0.00 0.00 0.08 -0.00 -1.81 -3.19 115.31 110.39 2kmg h LEU 19 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kmg h LEU 19 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2kmg h LEU 19 CO 0.02 0.00 -0.85 -0.67 -0.00 0.00 0.00 178.44 176.94 2kmg n ASP 20 N -2.44 1.42 -0.08 0.17 2.03 -0.66 -4.57 116.55 112.42 2kmg n ASP 20 Ca 0.04 -0.42 -0.14 0.00 0.52 0.00 0.00 54.79 54.79 2kmg n ASP 20 Cb 0.41 1.18 -0.05 0.00 -0.72 0.00 0.00 41.12 41.93 2kmg n ASP 20 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2kmg h PHE 21 N 0.00 0.77 0.05 -0.67 3.57 -0.63 -2.06 116.94 117.97 2kmg h PHE 21 Ca 0.00 -0.25 0.02 0.00 3.53 0.00 0.00 57.97 61.27 2kmg h PHE 21 Cb 0.31 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 2kmg h PHE 21 CO 0.00 0.99 -0.19 1.25 -2.23 0.00 0.00 178.31 178.13 2kmg h LEU 22 N 0.34 -0.54 -0.84 0.59 7.12 -1.80 -0.63 115.31 119.55 2kmg h LEU 22 Ca 0.03 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.11 2kmg h LEU 22 Cb 0.90 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 2kmg h LEU 22 CO 0.07 -0.26 0.00 1.55 -0.13 0.00 0.00 178.44 179.68 2kmg h PRO 23 N -0.33 0.00 0.06 5.25 0.13 -1.71 0.27 132.00 135.67 2kmg h PRO 23 Ca 0.04 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.92 2kmg h PRO 23 Cb 0.38 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 2kmg h PRO 23 CO -0.14 0.00 -1.24 1.15 -0.23 0.00 0.00 178.00 177.54 2kmg h THR 24 N 0.00 1.46 0.00 1.56 2.02 -0.52 -0.81 112.91 116.62 2kmg h THR 24 Ca 0.00 -3.13 -0.00 0.00 0.77 0.00 0.00 66.41 64.04 2kmg h THR 24 Cb 0.40 2.81 -0.00 0.00 -1.74 0.00 0.00 68.15 69.62 2kmg h THR 24 CO 0.00 0.87 -1.67 -1.22 0.37 0.00 0.00 175.52 173.87 2kmg n TYR 25 N -3.38 0.00 -0.06 3.16 4.02 -0.35 -4.64 117.16 115.91 2kmg n TYR 25 Ca -0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.74 2kmg n TYR 25 Cb 0.99 -0.34 -0.07 0.00 -0.02 0.00 0.00 39.34 39.91 2kmg n TYR 25 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2kmg n PHE 26 N -2.01 0.00 0.00 -0.72 7.35 0.93 -5.04 117.46 117.97 2kmg n PHE 26 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 2kmg n PHE 26 Cb 0.38 -0.52 0.00 0.00 0.35 0.00 0.00 39.48 39.69 2kmg n PHE 26 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2kmg n GLY 27 N 2.64 4.42 0.20 7.13 0.00 -0.43 -4.61 105.19 114.54 2kmg n GLY 27 Ca -0.21 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 44.82 2kmg n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kmg h PRO 28 N 0.00 0.00 0.00 1.61 0.13 -1.57 -0.30 132.00 131.86 2kmg h PRO 28 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 2kmg h PRO 28 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2kmg h PRO 28 CO 0.00 0.00 -2.29 -2.13 -0.23 0.00 0.00 178.00 173.35 2kmg n ARG 29 N -2.37 0.83 0.15 0.86 3.00 -1.26 -4.48 116.66 113.39 2kmg n ARG 29 Ca -0.02 0.05 0.03 0.00 -0.00 0.00 0.00 57.85 57.91 2kmg n ARG 29 Cb 0.14 -1.47 0.15 0.00 0.00 0.00 0.00 32.46 31.28 2kmg n ARG 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2kmg h LEU 30 N 0.00 0.00 -1.01 6.15 4.07 -1.54 -3.34 115.31 119.64 2kmg h LEU 30 Ca -0.51 0.00 0.34 0.00 0.08 0.00 0.00 57.88 57.80 2kmg h LEU 30 Cb 1.99 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 43.63 2kmg h LEU 30 CO -0.02 0.51 0.66 1.15 -1.08 0.00 0.00 178.44 179.66 2kmg n MET 31 N -3.39 -0.02 -0.11 1.13 0.00 -0.23 0.86 117.12 115.35 2kmg n MET 31 Ca 0.01 0.88 -0.13 0.00 0.00 0.00 0.00 57.70 58.45 2kmg n MET 31 Cb 0.65 -1.75 -0.13 0.00 0.00 0.00 0.00 33.22 31.99 2kmg n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kmg n MET 32 N -4.04 0.74 0.22 3.17 0.00 -1.25 -3.16 117.12 112.79 2kmg n MET 32 Ca 0.29 0.06 0.15 0.00 0.00 0.00 0.00 57.70 58.20 2kmg n MET 32 Cb 1.14 -1.50 0.67 0.00 0.00 0.00 0.00 33.22 33.53 2kmg n MET 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kmg h ARG 33 N 0.00 0.00 0.00 3.17 2.47 0.31 -2.74 114.38 117.59 2kmg h ARG 33 Ca -0.54 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 57.89 2kmg h ARG 33 Cb 2.03 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 30.31 2kmg h ARG 33 CO -0.03 0.00 -2.04 0.41 0.56 0.00 0.00 179.97 178.87 2kmg n GLY 34 N -0.28 -0.27 0.36 0.04 0.00 0.25 -4.00 105.19 101.29 2kmg n GLY 34 Ca 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 45.96 2kmg n GLY 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2kmg h GLU 35 N -0.20 0.92 0.00 1.61 4.11 -1.58 -0.03 114.58 119.41 2kmg h GLU 35 Ca -0.43 -0.06 -0.08 0.00 0.07 0.00 0.00 59.36 58.87 2kmg h GLU 35 Cb 1.57 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2kmg h GLU 35 CO -0.13 0.61 -0.36 0.00 0.07 0.00 0.00 179.01 179.20 2kmg h ALA 36 N 1.54 0.84 0.01 1.06 0.00 -1.72 -3.17 119.26 117.82 2kmg h ALA 36 Ca 0.37 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 2kmg h ALA 36 Cb 0.22 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2kmg h ALA 36 CO -0.14 0.45 -0.99 1.25 0.00 0.00 0.00 179.25 179.82 2kmg h LEU 37 N 0.00 0.59 -0.47 0.00 7.12 -1.19 -2.04 115.31 119.33 2kmg h LEU 37 Ca -0.00 -0.49 -0.16 0.00 0.13 0.00 0.00 57.88 57.36 2kmg h LEU 37 Cb 1.11 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.05 2kmg h LEU 37 CO 0.05 1.29 -0.45 -0.37 -0.13 0.00 0.00 178.44 178.83 2kmg h VAL 38 N 0.25 1.29 0.00 1.05 -1.51 -1.27 -2.93 116.25 113.12 2kmg h VAL 38 Ca -0.10 -1.64 -0.08 0.00 -1.23 0.00 0.00 66.70 63.66 2kmg h VAL 38 Cb 1.64 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 32.32 2kmg h VAL 38 CO 0.18 0.53 -0.38 0.10 -1.23 0.00 0.00 177.57 176.76 2kmg h TYR 39 N 0.61 0.00 -0.93 5.19 -0.00 -1.62 -3.03 116.97 117.19 2kmg h TYR 39 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.77 2kmg h TYR 39 Cb 1.01 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.70 2kmg h TYR 39 CO 0.05 0.38 0.59 0.00 -0.00 0.00 0.00 178.16 179.19 2kmg h ALA 40 N 1.62 1.18 0.07 0.10 0.00 -1.18 -1.77 119.26 119.28 2kmg h ALA 40 Ca -0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 2kmg h ALA 40 Cb 1.19 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2kmg h ALA 40 CO 0.05 0.60 -1.10 -1.49 0.00 0.00 0.00 179.25 177.31 2kmg h TRP 41 N 1.27 0.41 -0.74 0.00 4.06 -1.56 -3.26 115.95 116.13 2kmg h TRP 41 Ca 0.34 -0.28 -0.02 0.00 2.06 0.00 0.00 58.89 60.99 2kmg h TRP 41 Cb -0.11 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 27.99 2kmg h TRP 41 CO -0.00 1.17 0.40 1.98 -3.56 0.00 0.00 178.44 178.43 2kmg h MET 42 N 0.09 1.04 0.00 0.49 4.05 -1.34 -1.41 114.93 117.85 2kmg h MET 42 Ca -0.09 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 2kmg h MET 42 Cb 1.80 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 32.40 2kmg h MET 42 CO 0.18 0.78 0.00 2.89 0.23 0.00 0.00 176.91 180.99 2kmg n ARG 43 N -4.45 0.05 -0.07 0.39 -4.01 -0.70 -3.48 116.66 104.39 2kmg n ARG 43 Ca 0.07 0.08 -0.22 0.00 -1.04 0.00 0.00 57.85 56.74 2kmg n ARG 43 Cb 0.10 -1.50 -0.12 0.00 -3.04 0.00 0.00 32.46 27.89 2kmg n ARG 43 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2kmg n ARG 44 N -1.47 0.67 0.12 2.89 1.74 -0.75 -4.15 116.66 115.71 2kmg n ARG 44 Ca 0.07 0.32 0.20 0.00 -0.77 0.00 0.00 57.85 57.66 2kmg n ARG 44 Cb 0.27 -1.65 0.74 0.00 -1.02 0.00 0.00 32.46 30.79 2kmg n ARG 44 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2kmg h LEU 45 N -0.36 0.00 -8.64 0.55 3.38 -1.32 -3.39 115.31 105.53 2kmg h LEU 45 Ca -0.47 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 56.80 2kmg h LEU 45 Cb 1.77 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 42.23 2kmg h LEU 45 CO -0.09 0.00 -0.88 0.00 0.09 0.00 0.00 178.44 177.56 2kmg h GLU 47 N 5.49 0.00 -1.94 0.00 4.11 -1.83 -3.31 114.58 117.10 2kmg h GLU 47 Ca -0.43 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.37 2kmg h GLU 47 Cb 1.13 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.99 2kmg h GLU 47 CO 0.47 0.78 -0.32 0.54 0.07 0.00 0.00 179.01 180.55 2kmg n ARG 48 N -3.45 3.49 -3.82 1.06 1.74 -1.26 -4.96 116.66 109.46 2kmg n ARG 48 Ca 0.00 -4.55 -0.35 0.00 -0.77 0.00 0.00 57.85 52.18 2kmg n ARG 48 Cb 0.80 -2.27 -0.12 0.00 -1.02 0.00 0.00 32.46 29.84 2kmg n ARG 48 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2kmg s TYR 49 N -3.66 3.56 -0.02 -1.55 6.14 -1.25 -4.95 117.35 115.62 2kmg s TYR 49 Ca 0.48 -2.63 -0.24 0.00 0.64 0.00 0.00 57.07 55.32 2kmg s TYR 49 Cb 0.34 -3.14 -0.21 0.00 0.42 0.00 0.00 41.96 39.37 2kmg s TYR 49 CO -0.19 -0.93 1.14 -0.91 0.64 0.00 0.00 175.55 175.30 2kmg h ASN 50 N 7.68 0.22 -0.89 4.32 2.35 -1.93 -3.44 115.58 123.91 2kmg h ASN 50 Ca -0.09 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.00 2kmg h ASN 50 Cb 1.01 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2kmg h ASN 50 CO 0.67 0.85 0.00 0.61 -1.65 0.00 0.00 177.43 177.90 2kmg n GLY 51 N 0.71 -0.84 2.88 2.83 0.00 -1.26 -5.02 105.19 104.47 2kmg n GLY 51 Ca -0.09 -1.38 0.03 0.00 0.00 0.00 0.00 46.02 44.59 2kmg n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kmg n ALA 52 N -0.22 -2.81 -2.98 4.61 0.00 -1.26 -4.97 120.51 112.87 2kmg n ALA 52 Ca 0.00 -0.52 -0.44 0.00 0.00 0.00 0.00 53.44 52.49 2kmg n ALA 52 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2kmg n ALA 52 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kmg s TYR 53 N -2.02 2.85 -1.25 0.00 2.02 -1.26 -4.69 117.35 113.00 2kmg s TYR 53 Ca 0.23 -0.79 -0.19 0.00 -0.37 0.00 0.00 57.07 55.95 2kmg s TYR 53 Cb -0.00 -4.16 0.00 0.00 -0.40 0.00 0.00 41.96 37.40 2kmg s TYR 53 CO -0.02 -1.47 1.89 0.91 -1.57 0.00 0.00 175.55 175.29 2kmg n TRP 54 N 6.98 3.73 -1.56 2.71 8.01 -1.26 -0.10 117.44 135.96 2kmg n TRP 54 Ca -0.05 -2.43 -0.43 0.00 -1.31 0.00 0.00 57.50 53.27 2kmg n TRP 54 Cb 0.44 -2.53 -0.00 0.00 -2.01 0.00 0.00 31.31 27.21 2kmg n TRP 54 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 2kmg n HIS 55 N 9.37 0.79 -2.99 -5.99 8.25 -0.46 -4.46 115.22 119.73 2kmg n HIS 55 Ca 0.49 0.66 -0.40 0.00 -0.26 0.00 0.00 57.72 58.20 2kmg n HIS 55 Cb 0.44 -2.18 -0.05 0.00 1.12 0.00 0.00 29.99 29.33 2kmg n HIS 55 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2kmg s TYR 56 N -1.20 3.52 0.00 4.41 2.02 -1.26 -2.29 117.35 122.55 2kmg s TYR 56 Ca 0.61 1.25 0.06 0.00 -0.37 0.00 0.00 57.07 58.62 2kmg s TYR 56 Cb -0.65 -2.88 -0.03 0.00 -0.40 0.00 0.00 41.96 38.00 2kmg s TYR 56 CO 0.58 -0.03 -0.19 0.71 -1.57 0.00 0.00 175.55 175.05 2kmg s TYR 57 N 1.28 2.55 -0.26 2.71 1.51 -0.34 -2.71 117.35 122.09 2kmg s TYR 57 Ca 0.38 -0.27 -0.06 0.00 -1.01 0.00 0.00 57.07 56.11 2kmg s TYR 57 Cb -0.17 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.15 2kmg s TYR 57 CO 0.16 0.17 0.05 0.00 -1.11 0.00 0.00 175.55 174.83 2kmg s ALA 58 N -0.80 3.05 0.19 3.71 0.00 0.62 -2.79 121.76 125.74 2kmg s ALA 58 Ca 0.13 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 2kmg s ALA 58 Cb -0.10 -2.03 -0.07 0.00 0.00 0.00 0.00 23.12 20.92 2kmg s ALA 58 CO 0.03 -0.63 0.52 -0.51 0.00 0.00 0.00 175.76 175.16 2kmg s LEU 59 N 1.55 4.23 0.28 0.00 1.43 -1.12 -1.05 118.68 124.00 2kmg s LEU 59 Ca 0.05 0.92 0.26 0.00 -1.03 0.00 0.00 54.13 54.32 2kmg s LEU 59 Cb -0.16 -3.48 0.87 0.00 0.03 0.00 0.00 46.19 43.45 2kmg s LEU 59 CO 0.02 0.00 1.76 -1.28 0.23 0.00 0.00 176.35 177.08 2kmg h SER 60 N 2.92 0.00 1.24 2.29 0.87 -1.76 -2.99 113.55 116.12 2kmg h SER 60 Ca -0.47 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 2kmg h SER 60 Cb 1.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2kmg h SER 60 CO 0.68 0.00 -0.11 -0.78 -0.53 0.00 0.00 176.83 176.09 2kmg h ASP 61 N 0.00 0.00 0.00 6.23 1.82 -1.94 -3.46 116.42 119.07 2kmg h ASP 61 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kmg h ASP 61 Cb 0.62 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.63 2kmg h ASP 61 CO 0.00 0.11 0.00 0.61 -1.61 0.00 0.00 179.24 178.35 2kmg n GLY 62 N 0.40 1.17 0.00 -0.78 0.00 -1.13 -5.10 105.19 99.74 2kmg n GLY 62 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2kmg n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kmg n GLY 63 N -0.03 2.23 3.65 -0.02 0.00 -1.26 -4.96 105.19 104.80 2kmg n GLY 63 Ca 0.00 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.15 2kmg n GLY 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kmg s PHE 64 N 3.39 -0.01 0.09 1.61 -0.71 -1.26 -2.80 117.98 118.28 2kmg s PHE 64 Ca 0.00 0.03 0.01 0.00 -1.04 0.00 0.00 56.93 55.93 2kmg s PHE 64 Cb 0.00 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 2kmg s PHE 64 CO 0.00 -0.01 -0.05 1.52 -1.34 0.00 0.00 175.22 175.33 2kmg s TYR 65 N -0.87 0.82 -0.07 3.49 1.13 -1.12 -4.96 117.35 115.77 2kmg s TYR 65 Ca 0.09 -0.96 0.04 0.00 -1.41 0.00 0.00 57.07 54.84 2kmg s TYR 65 Cb -0.02 -0.49 -0.02 0.00 -1.10 0.00 0.00 41.96 40.33 2kmg s TYR 65 CO -0.10 -0.21 -0.18 -1.64 -2.51 0.00 0.00 175.55 170.92 2kmg s MET 66 N -3.86 2.66 -0.12 -3.49 -1.94 -1.26 -1.20 119.30 110.10 2kmg s MET 66 Ca 0.11 -0.77 -0.01 0.00 -1.71 0.00 0.00 55.69 53.31 2kmg s MET 66 Cb 0.06 -2.34 0.03 0.00 2.01 0.00 0.00 34.83 34.59 2kmg s MET 66 CO -0.06 0.47 -0.06 0.00 -0.01 0.00 0.00 175.02 175.37 2kmg s ALA 67 N -0.34 1.23 0.94 3.03 0.00 -0.97 -4.37 121.76 121.28 2kmg s ALA 67 Ca 0.03 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 2kmg s ALA 67 Cb -0.12 -0.92 0.08 0.00 0.00 0.00 0.00 23.12 22.16 2kmg s ALA 67 CO 0.02 -0.49 0.70 -2.30 0.00 0.00 0.00 175.76 173.69 2kmg n PRO 68 N 4.97 -0.39 -3.39 0.00 -0.02 -1.23 -1.36 135.00 133.58 2kmg n PRO 68 Ca -0.11 -0.06 -0.45 0.00 -2.02 0.00 0.00 63.50 60.85 2kmg n PRO 68 Cb 0.50 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 2kmg n PRO 68 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kmg s ASP 69 N -2.27 6.61 -0.17 2.55 2.15 0.86 -4.46 116.67 121.95 2kmg s ASP 69 Ca 0.61 -2.85 -0.04 0.00 0.43 0.00 0.00 52.55 50.70 2kmg s ASP 69 Cb -0.22 -2.16 0.07 0.00 -0.30 0.00 0.00 42.92 40.32 2kmg s ASP 69 CO 0.64 -0.50 0.15 -0.76 -0.17 0.00 0.00 175.17 174.52 2kmg s LEU 70 N -0.08 0.11 -0.38 -1.34 1.43 -1.26 -4.35 118.68 112.81 2kmg s LEU 70 Ca 0.20 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 2kmg s LEU 70 Cb -0.11 0.06 0.01 0.00 0.03 0.00 0.00 46.19 46.18 2kmg s LEU 70 CO -0.08 -0.33 0.61 0.00 0.23 0.00 0.00 176.35 176.78 2kmg s ALA 71 N 2.23 3.42 0.00 4.21 0.00 -1.26 -3.20 121.76 127.16 2kmg s ALA 71 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2kmg s ALA 71 Cb -0.15 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2kmg s ALA 71 CO -0.10 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 174.60 2kmg n GLY 72 N 4.83 0.50 3.42 0.00 0.00 -1.26 -5.05 105.19 107.62 2kmg n GLY 72 Ca -0.02 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 2kmg n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kmg s ARG 73 N -2.00 2.93 -0.34 1.61 0.52 -1.26 -4.48 118.95 115.93 2kmg s ARG 73 Ca 0.00 -1.12 -0.12 0.00 -0.52 0.00 0.00 55.73 53.97 2kmg s ARG 73 Cb 0.00 -3.96 -0.01 0.00 0.52 0.00 0.00 34.95 31.50 2kmg s ARG 73 CO 0.00 -0.81 0.21 -0.51 0.02 0.00 0.00 175.30 174.21 2kmg s LEU 74 N 1.64 4.45 -1.04 2.53 1.43 -0.48 -4.92 118.68 122.30 2kmg s LEU 74 Ca 0.04 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.37 2kmg s LEU 74 Cb -0.20 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 2kmg s LEU 74 CO 0.08 -0.25 1.83 -1.61 0.23 0.00 0.00 176.35 176.63 2kmg s GLU 75 N 1.67 2.87 -0.45 1.70 0.41 -1.26 -0.53 118.70 123.10 2kmg s GLU 75 Ca 0.05 -0.84 -0.17 0.00 -0.41 0.00 0.00 54.97 53.60 2kmg s GLU 75 Cb -0.18 -5.21 0.05 0.00 -1.78 0.00 0.00 34.13 27.01 2kmg s GLU 75 CO 0.09 -3.21 0.44 0.42 -0.49 0.00 0.00 175.26 172.51 2kmg s ILE 76 N 8.80 5.12 -0.57 -1.63 -1.09 -0.45 -4.69 121.20 126.69 2kmg s ILE 76 Ca 0.64 -0.67 -0.20 0.00 -2.23 0.00 0.00 60.65 58.18 2kmg s ILE 76 Cb -0.03 -4.10 0.07 0.00 -1.58 0.00 0.00 42.46 36.82 2kmg s ILE 76 CO 0.02 -0.54 0.76 -1.61 -1.23 0.00 0.00 174.94 172.34 2kmg s GLU 77 N 2.00 3.12 -0.52 2.79 2.02 0.15 -3.61 118.70 124.65 2kmg s GLU 77 Ca 0.09 -0.94 -0.28 0.00 0.02 0.00 0.00 54.97 53.86 2kmg s GLU 77 Cb -0.20 -4.17 -0.00 0.00 0.10 0.00 0.00 34.13 29.85 2kmg s GLU 77 CO 0.10 -1.48 1.63 0.14 0.02 0.00 0.00 175.26 175.68 2kmg s VAL 78 N 3.10 3.59 -0.65 2.63 -7.23 -1.19 -4.42 120.40 116.23 2kmg s VAL 78 Ca 0.17 0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 2kmg s VAL 78 Cb -0.20 -4.10 0.00 0.00 0.56 0.00 0.00 36.38 32.64 2kmg s VAL 78 CO 0.11 -0.91 0.62 -0.46 -0.31 0.00 0.00 175.10 174.15 2kmg n ASN 79 N 10.65 1.55 -0.08 4.85 2.04 -1.26 -1.20 115.26 131.81 2kmg n ASN 79 Ca 0.17 -1.83 -0.09 0.00 -0.44 0.00 0.00 54.58 52.40 2kmg n ASN 79 Cb 0.49 -0.46 -0.12 0.00 -2.53 0.00 0.00 39.78 37.16 2kmg n ASN 79 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2kmg n GLY 80 N 0.22 -0.75 0.00 4.83 0.00 -1.26 -4.66 105.19 103.56 2kmg n GLY 80 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2kmg n GLY 80 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kmg n ASN 81 N -2.64 0.21 -1.26 1.61 0.23 -1.18 -5.00 115.26 107.22 2kmg n ASN 81 Ca -0.27 -1.08 -0.14 0.00 -0.53 0.00 0.00 54.58 52.56 2kmg n ASN 81 Cb 1.01 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.67 2kmg n ASN 81 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kmg n GLY 82 N -0.04 0.78 3.49 4.83 0.00 -0.34 -4.94 105.19 108.96 2kmg n GLY 82 Ca 0.00 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 2kmg n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kmg s PHE 83 N -2.58 2.82 -0.39 1.61 5.36 -1.17 -4.93 117.98 118.69 2kmg s PHE 83 Ca 0.00 -1.00 -0.29 0.00 -0.96 0.00 0.00 56.93 54.68 2kmg s PHE 83 Cb 0.00 -4.42 0.02 0.00 -0.34 0.00 0.00 43.02 38.28 2kmg s PHE 83 CO 0.00 -1.68 1.13 0.50 -1.46 0.00 0.00 175.22 173.70 2kmg s ARG 84 N 3.77 3.89 0.18 10.12 3.52 -1.26 -3.19 118.95 135.98 2kmg s ARG 84 Ca 0.35 0.84 -0.24 0.00 -0.13 0.00 0.00 55.73 56.55 2kmg s ARG 84 Cb -0.06 -3.83 0.05 0.00 -1.56 0.00 0.00 34.95 29.55 2kmg s ARG 84 CO -0.05 -1.16 0.85 0.20 -0.81 0.00 0.00 175.30 174.34 2kmg s GLY 85 N 2.15 -0.24 -0.20 8.12 0.00 -1.24 -5.04 107.32 110.89 2kmg s GLY 85 Ca 0.48 0.10 -0.06 0.00 0.00 0.00 0.00 44.72 45.24 2kmg s GLY 85 CO 0.24 0.02 0.02 -1.83 0.00 0.00 0.00 173.10 171.55 2kmg s GLU 86 N -3.50 3.73 0.35 2.90 -1.05 -1.26 -1.34 118.70 118.54 2kmg s GLU 86 Ca 0.10 -0.47 0.04 0.00 -0.15 0.00 0.00 54.97 54.50 2kmg s GLU 86 Cb -0.03 -3.13 -0.06 0.00 -0.44 0.00 0.00 34.13 30.48 2kmg s GLU 86 CO 0.02 0.09 0.06 -0.51 0.95 0.00 0.00 175.26 175.87 2kmg s LEU 87 N 0.81 2.25 0.59 1.83 2.01 0.31 -4.82 118.68 121.66 2kmg s LEU 87 Ca 0.02 -1.42 -0.05 0.00 0.01 0.00 0.00 54.13 52.68 2kmg s LEU 87 Cb -0.14 -0.43 0.01 0.00 0.01 0.00 0.00 46.19 45.64 2kmg s LEU 87 CO 0.02 -0.64 0.89 -0.44 1.01 0.00 0.00 176.35 177.19 2kmg s SER 88 N -3.55 5.52 0.55 2.29 0.01 -1.26 -1.38 113.70 115.88 2kmg s SER 88 Ca 0.33 0.63 0.26 0.00 1.31 0.00 0.00 55.95 58.48 2kmg s SER 88 Cb 0.08 -1.60 1.46 0.00 0.21 0.00 0.00 66.02 66.17 2kmg s SER 88 CO 0.15 -1.09 2.01 0.00 0.41 0.00 0.00 173.24 174.72 2kmg h ALA 89 N -0.17 2.27 0.00 1.44 0.00 -1.80 0.21 119.26 121.22 2kmg h ALA 89 Ca -0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kmg h ALA 89 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kmg h ALA 89 CO 0.60 -0.56 -0.00 0.22 0.00 0.00 0.00 179.25 179.51 2kmg h ASP 90 N 0.00 -0.00 0.05 0.00 1.82 -1.86 -0.97 116.42 115.46 2kmg h ASP 90 Ca 0.20 -0.36 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 2kmg h ASP 90 Cb 0.88 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.89 2kmg h ASP 90 CO -0.00 0.67 0.00 0.00 -1.61 0.00 0.00 179.24 178.30 2kmg h ALA 91 N -0.64 1.00 0.02 -0.78 0.00 -1.80 -1.16 119.26 115.89 2kmg h ALA 91 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 2kmg h ALA 91 Cb 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2kmg h ALA 91 CO 0.00 0.00 -2.14 0.00 0.00 0.00 0.00 179.25 177.11 2kmg n ALA 92 N -1.97 1.40 0.29 0.00 0.00 0.70 -4.11 120.51 116.82 2kmg n ALA 92 Ca -0.02 -1.01 0.16 0.00 0.00 0.00 0.00 53.44 52.56 2kmg n ALA 92 Cb 0.07 -0.44 0.88 0.00 0.00 0.00 0.00 19.45 19.96 2kmg n ALA 92 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kmg h GLY 93 N 3.06 0.00 0.73 0.00 0.00 0.09 -2.09 103.07 104.86 2kmg h GLY 93 Ca -0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2kmg h GLY 93 CO 0.03 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.33 2kmg h ILE 94 N 0.00 1.29 0.00 2.60 1.08 -1.61 -2.14 117.51 118.72 2kmg h ILE 94 Ca -0.00 -0.94 -0.03 0.00 -0.39 0.00 0.00 64.86 63.50 2kmg h ILE 94 Cb 0.19 1.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 2kmg h ILE 94 CO 0.01 0.27 -0.13 0.58 -0.69 0.00 0.00 178.15 178.19 2kmg h VAL 95 N -0.11 0.35 -0.01 1.67 2.07 -1.63 -1.22 116.25 117.38 2kmg h VAL 95 Ca 0.03 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 2kmg h VAL 95 Cb 0.43 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2kmg h VAL 95 CO 0.01 0.13 -0.21 0.00 0.02 0.00 0.00 177.57 177.52 2kmg h ALA 96 N 1.87 0.03 -0.04 1.67 0.00 -1.21 -3.01 119.26 118.58 2kmg h ALA 96 Ca -0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 2kmg h ALA 96 Cb 0.60 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kmg h ALA 96 CO 0.02 0.05 -0.72 0.00 0.00 0.00 0.00 179.25 178.60 2kmg h THR 97 N -0.52 1.36 -0.08 0.00 1.03 -1.36 -3.13 112.91 110.21 2kmg h THR 97 Ca -0.02 -2.05 0.04 0.00 -0.01 0.00 0.00 66.41 64.36 2kmg h THR 97 Cb 0.96 2.37 -0.05 0.00 -1.07 0.00 0.00 68.15 70.36 2kmg h THR 97 CO 0.04 0.62 -0.21 -0.07 -0.01 0.00 0.00 175.52 175.89 2kmg h LEU 98 N 0.16 -0.64 -1.44 0.00 3.38 -1.36 -1.23 115.31 114.19 2kmg h LEU 98 Ca -0.08 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2kmg h LEU 98 Cb 1.39 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 42.37 2kmg h LEU 98 CO 0.14 -0.27 0.48 -0.26 0.09 0.00 0.00 178.44 178.63 2kmg h PHE 99 N -0.30 0.68 -0.64 1.13 -1.00 -1.63 -0.62 116.94 114.56 2kmg h PHE 99 Ca 0.08 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.82 2kmg h PHE 99 Cb 0.41 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 2kmg h PHE 99 CO -0.29 0.32 0.17 0.00 -1.61 0.00 0.00 178.31 176.90 2kmg h ALA 100 N 1.63 1.08 -0.77 2.45 0.00 -1.20 -2.33 119.26 120.13 2kmg h ALA 100 Ca 0.34 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2kmg h ALA 100 Cb 0.47 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2kmg h ALA 100 CO -0.12 0.61 0.51 -0.07 0.00 0.00 0.00 179.25 180.18 2kmg h LEU 101 N 0.96 0.88 -0.83 0.00 3.38 -0.16 -1.17 115.31 118.37 2kmg h LEU 101 Ca 0.21 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 2kmg h LEU 101 Cb 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2kmg h LEU 101 CO -0.00 0.64 -0.50 1.23 0.09 0.00 0.00 178.44 179.90 2kmg h GLY 102 N 1.04 0.22 0.43 0.83 0.00 -1.23 -2.56 103.07 101.81 2kmg h GLY 102 Ca 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 2kmg h GLY 102 CO -0.06 0.22 -0.12 -1.61 0.00 0.00 0.00 176.54 174.97 2kmg h GLN 103 N 0.16 0.11 -0.95 4.80 4.15 -1.03 -2.58 115.11 119.77 2kmg h GLN 103 Ca 0.01 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.35 2kmg h GLN 103 Cb 0.94 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.60 2kmg h GLN 103 CO 0.08 0.78 0.63 1.25 -1.93 0.00 0.00 178.83 179.63 2kmg h LEU 104 N -0.53 1.08 -1.18 -2.39 5.85 -1.28 0.20 115.31 117.06 2kmg h LEU 104 Ca -0.01 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2kmg h LEU 104 Cb 0.81 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2kmg h LEU 104 CO 0.02 0.77 -0.17 0.00 -0.34 0.00 0.00 178.44 178.72 2kmg h ALA 105 N 1.36 1.32 0.00 1.25 0.00 -1.51 -2.26 119.26 119.41 2kmg h ALA 105 Ca 0.36 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kmg h ALA 105 Cb -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2kmg h ALA 105 CO -0.09 0.46 -0.25 0.00 0.00 0.00 0.00 179.25 179.37 2kmg h ALA 106 N 1.49 0.86 0.55 0.00 0.00 -0.86 -3.34 119.26 117.97 2kmg h ALA 106 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2kmg h ALA 106 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2kmg h ALA 106 CO 0.03 0.00 -0.27 1.49 0.00 0.00 0.00 179.25 180.51 2kmg h GLU 107 N 0.00 -0.72 -6.59 0.00 4.22 -0.02 -3.42 114.58 108.06 2kmg h GLU 107 Ca 0.00 0.05 -0.53 0.00 0.08 0.00 0.00 59.36 58.96 2kmg h GLU 107 Cb 0.90 0.16 0.04 0.00 0.50 0.00 0.00 28.75 30.35 2kmg h GLU 107 CO 0.00 -0.45 0.83 0.96 -2.18 0.00 0.00 179.01 178.17 2kmg s ILE 108 N -5.80 2.85 0.00 2.32 -4.36 -1.22 -4.96 121.20 110.03 2kmg s ILE 108 Ca -0.16 0.61 0.00 0.00 -0.26 0.00 0.00 60.65 60.84 2kmg s ILE 108 Cb 0.03 -3.39 0.00 0.00 1.25 0.00 0.00 42.46 40.35 2kmg s ILE 108 CO 0.60 0.05 0.32 0.00 0.24 0.00 0.00 174.94 176.15 2kmg n ALA 109 N 3.95 0.00 -3.36 2.27 0.00 -1.26 -4.74 120.51 117.37 2kmg n ALA 109 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 2kmg n ALA 109 Cb 0.40 0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 2kmg n ALA 109 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2kmg s ASP 110 N -2.79 0.32 0.13 0.00 -4.77 -1.26 -5.04 116.67 103.26 2kmg s ASP 110 Ca 0.00 0.17 -0.02 0.00 -3.30 0.00 0.00 52.55 49.40 2kmg s ASP 110 Cb 0.00 1.08 0.01 0.00 -1.09 0.00 0.00 42.92 42.91 2kmg s ASP 110 CO 0.00 -0.30 0.20 0.35 0.70 0.00 0.00 175.17 176.12 2kmg n THR 111 N 5.36 0.00 0.66 2.11 -2.24 -1.26 -5.03 114.28 113.88 2kmg n THR 111 Ca -0.03 -0.62 0.13 0.00 -2.27 0.00 0.00 64.05 61.26 2kmg n THR 111 Cb 0.50 0.40 0.43 0.00 -2.10 0.00 0.00 70.33 69.56 2kmg n THR 111 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2kmg n ASP 112 N -1.81 0.73 0.05 3.42 2.03 -1.26 -3.34 116.55 116.38 2kmg n ASP 112 Ca -0.00 0.57 -0.07 0.00 0.52 0.00 0.00 54.79 55.81 2kmg n ASP 112 Cb 0.22 -0.77 -0.12 0.00 -0.72 0.00 0.00 41.12 39.74 2kmg n ASP 112 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmg h ALA 113 N 2.57 0.41 0.00 -1.67 0.00 -1.97 -2.03 119.26 116.57 2kmg h ALA 113 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2kmg h ALA 113 Cb 0.71 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2kmg h ALA 113 CO 0.00 1.26 0.00 0.00 0.00 0.00 0.00 179.25 180.51 2kmg n ALA 114 N -2.37 1.41 -0.26 0.00 0.00 -1.21 -1.87 120.51 116.20 2kmg n ALA 114 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kmg n ALA 114 Cb 0.94 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2kmg n ALA 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kmg n ASP 115 N -1.47 0.30 -0.10 0.00 9.92 -1.22 -4.59 116.55 119.40 2kmg n ASP 115 Ca 0.02 -0.68 -0.22 0.00 -0.53 0.00 0.00 54.79 53.38 2kmg n ASP 115 Cb 0.09 0.24 -0.12 0.00 -0.64 0.00 0.00 41.12 40.69 2kmg n ASP 115 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kmg n ALA 116 N -0.24 0.83 0.10 2.24 0.00 -0.77 -4.17 120.51 118.50 2kmg n ALA 116 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 53.44 52.92 2kmg n ALA 116 Cb 0.07 -0.52 0.39 0.00 0.00 0.00 0.00 19.45 19.39 2kmg n ALA 116 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2kmg h LEU 117 N -0.92 0.27 -1.91 0.00 8.10 -1.64 -2.22 115.31 116.99 2kmg h LEU 117 Ca -0.38 -0.05 0.28 0.00 0.11 0.00 0.00 57.88 57.84 2kmg h LEU 117 Cb 1.38 -0.07 -0.04 0.00 -0.44 0.00 0.00 40.66 41.49 2kmg h LEU 117 CO -0.21 0.39 0.78 0.40 -4.11 0.00 0.00 178.44 175.69 2kmg h ILE 118 N 0.28 0.38 -0.62 0.15 1.08 -1.76 0.08 117.51 117.10 2kmg h ILE 118 Ca 0.06 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.66 2kmg h ILE 118 Cb 0.31 0.44 -0.10 0.00 -3.07 0.00 0.00 36.82 34.40 2kmg h ILE 118 CO 0.01 0.00 0.06 0.44 -0.69 0.00 0.00 178.15 177.97 2kmg h ASP 119 N 0.00 -0.16 -0.92 1.72 3.32 -1.59 0.25 116.42 119.04 2kmg h ASP 119 Ca 0.47 0.14 0.14 0.00 0.02 0.00 0.00 57.03 57.79 2kmg h ASP 119 Cb 2.02 0.23 -0.07 0.00 0.22 0.00 0.00 39.33 41.72 2kmg h ASP 119 CO -0.00 -0.07 0.59 0.03 -1.72 0.00 0.00 179.24 178.06 2kmg h ARG 120 N 0.17 0.75 0.78 3.56 -0.00 -1.19 -1.44 114.38 117.01 2kmg h ARG 120 Ca 0.33 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.98 59.73 2kmg h ARG 120 Cb 0.53 -0.17 -0.00 0.00 0.00 0.00 0.00 29.97 30.33 2kmg h ARG 120 CO -0.49 0.49 -0.48 -0.92 0.00 0.00 0.00 179.97 178.57 2kmg h TYR 121 N 0.77 -1.29 -0.81 3.04 5.03 -1.07 -1.51 116.97 121.13 2kmg h TYR 121 Ca 0.46 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.85 2kmg h TYR 121 Cb 0.66 0.46 -0.06 0.00 1.55 0.00 0.00 36.73 39.34 2kmg h TYR 121 CO -0.00 -0.72 0.53 0.45 -1.32 0.00 0.00 178.16 177.09 2kmg h HIS 122 N -1.18 0.82 0.73 -3.82 3.86 -1.33 0.17 115.15 114.41 2kmg h HIS 122 Ca -0.10 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 2kmg h HIS 122 Cb 0.95 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.16 2kmg h HIS 122 CO -0.10 0.39 -0.38 0.74 0.86 0.00 0.00 177.93 179.44 2kmg h PHE 123 N 0.78 -0.98 -0.31 2.45 0.04 -1.00 -2.76 116.94 115.16 2kmg h PHE 123 Ca 0.37 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.10 2kmg h PHE 123 Cb 0.40 0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 2kmg h PHE 123 CO -0.00 -0.60 0.13 1.25 -0.60 0.00 0.00 178.31 178.49 2kmg h LEU 124 N -1.02 0.42 -1.26 1.54 5.85 -0.97 -2.79 115.31 117.08 2kmg h LEU 124 Ca -0.10 -0.16 0.33 0.00 0.84 0.00 0.00 57.88 58.80 2kmg h LEU 124 Cb 0.79 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.59 2kmg h LEU 124 CO 0.15 0.46 0.69 -0.09 -0.34 0.00 0.00 178.44 179.32 2kmg h ARG 125 N 0.35 0.28 -0.07 1.25 2.43 -0.94 0.33 114.38 118.01 2kmg h ARG 125 Ca 0.10 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 2kmg h ARG 125 Cb 0.17 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2kmg h ARG 125 CO -0.01 0.18 -0.54 0.78 -1.51 0.00 0.00 179.97 178.87 2kmg h GLY 126 N 0.29 0.21 0.78 2.80 0.00 -1.20 -3.03 103.07 102.91 2kmg h GLY 126 Ca 0.71 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.72 2kmg h GLY 126 CO -0.43 0.22 -0.19 -2.75 0.00 0.00 0.00 176.54 173.38 2kmg h PHE 127 N 0.15 0.50 0.00 5.60 3.57 -0.38 -2.94 116.94 123.44 2kmg h PHE 127 Ca 0.00 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2kmg h PHE 127 Cb 1.01 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.65 2kmg h PHE 127 CO 0.02 0.81 0.00 0.00 -2.23 0.00 0.00 178.31 176.91 2kmg n ALA 128 N -2.44 1.58 0.27 2.41 0.00 -0.94 -2.31 120.51 119.09 2kmg n ALA 128 Ca -0.06 -0.04 0.16 0.00 0.00 0.00 0.00 53.44 53.50 2kmg n ALA 128 Cb 0.40 -1.21 0.58 0.00 0.00 0.00 0.00 19.45 19.22 2kmg n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg h ALA 129 N 2.44 1.00 -0.29 0.00 0.00 -1.39 -3.02 119.26 118.00 2kmg h ALA 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kmg h ALA 129 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kmg h ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2kmg n GLY 130 N 0.24 3.29 3.87 0.00 0.00 -0.98 -4.82 105.19 106.78 2kmg n GLY 130 Ca 0.01 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 2kmg n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kmg s HIS 131 N -1.70 3.58 0.57 1.61 3.76 -1.14 -4.88 115.29 117.09 2kmg s HIS 131 Ca 0.29 1.31 0.26 0.00 -0.15 0.00 0.00 55.06 56.76 2kmg s HIS 131 Cb 0.20 -2.74 1.65 0.00 1.11 0.00 0.00 32.58 32.80 2kmg s HIS 131 CO 0.12 -0.71 2.20 -1.00 -0.85 0.00 0.00 174.74 174.50 2kmg h PRO 132 N -0.28 0.00 -0.20 8.40 0.13 -1.95 -0.78 132.00 137.31 2kmg h PRO 132 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kmg h PRO 132 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kmg h PRO 132 CO 0.62 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 2kmg n GLU 133 N -4.04 2.57 -0.31 0.86 4.71 -1.26 -4.47 120.64 118.69 2kmg n GLU 133 Ca -0.02 -2.73 0.10 0.00 -0.01 0.00 0.00 57.16 54.50 2kmg n GLU 133 Cb 0.13 -1.73 0.22 0.00 -1.01 0.00 0.00 31.44 29.05 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kmg h ALA 134 N 1.40 0.96 -0.85 0.62 0.00 -1.29 0.38 119.26 120.49 2kmg h ALA 134 Ca 0.00 0.31 0.17 0.00 0.00 0.00 0.00 54.91 55.39 2kmg h ALA 134 Cb 1.30 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 19.54 2kmg h ALA 134 CO 0.16 -0.49 0.40 0.00 0.00 0.00 0.00 179.25 179.32 2kmg h ALA 135 N 1.89 1.28 0.01 0.00 0.00 -1.85 -0.19 119.26 120.40 2kmg h ALA 135 Ca 0.52 0.11 -0.25 0.00 0.00 0.00 0.00 54.91 55.29 2kmg h ALA 135 Cb 0.98 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.84 2kmg h ALA 135 CO -0.84 -0.19 -1.02 0.00 0.00 0.00 0.00 179.25 177.20 2kmg h ALA 136 N 1.60 0.23 0.14 0.00 0.00 -0.68 -3.04 119.26 117.51 2kmg h ALA 136 Ca 0.48 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2kmg h ALA 136 Cb 0.77 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2kmg h ALA 136 CO -0.42 0.75 -0.07 0.82 0.00 0.00 0.00 179.25 180.34 2kmg h ILE 137 N 0.30 1.00 -0.29 0.00 2.04 -0.23 0.45 117.51 120.78 2kmg h ILE 137 Ca -0.11 -0.59 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 2kmg h ILE 137 Cb 1.67 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 2kmg h ILE 137 CO 0.19 0.14 -0.20 0.10 0.00 0.00 0.00 178.15 178.38 2kmg h TYR 138 N -0.46 0.59 -0.01 1.37 -0.00 -1.21 -2.39 116.97 114.85 2kmg h TYR 138 Ca -0.02 -0.11 -0.16 0.00 -0.00 0.00 0.00 58.73 58.44 2kmg h TYR 138 Cb 0.37 -0.15 -0.02 0.00 -0.00 0.00 0.00 36.73 36.93 2kmg h TYR 138 CO 0.02 0.70 -0.74 0.07 -0.00 0.00 0.00 178.16 178.21 2kmg h ARG 139 N 0.48 0.08 -0.21 0.10 0.11 -1.53 -0.39 114.38 113.01 2kmg h ARG 139 Ca 0.08 -0.07 -0.05 0.00 0.10 0.00 0.00 59.98 60.04 2kmg h ARG 139 Cb 0.61 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.69 2kmg h ARG 139 CO 0.04 0.78 -0.09 0.00 0.10 0.00 0.00 179.97 180.80 2kmg h ALA 140 N 1.20 1.47 0.00 0.08 0.00 -0.42 -2.42 119.26 119.16 2kmg h ALA 140 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kmg h ALA 140 Cb 1.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kmg h ALA 140 CO 0.10 0.38 -1.13 0.44 0.00 0.00 0.00 179.25 179.04 2kmg n ILE 141 N -4.28 0.13 0.00 0.00 -5.35 -0.97 -4.57 119.36 104.32 2kmg n ILE 141 Ca -0.00 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 2kmg n ILE 141 Cb 0.26 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12