#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 0.03 -0.00 3.17 2.20 -1.26 -5.03 114.94 114.05 2kmg s ASN 2 Ca 0.00 -0.07 0.07 0.00 -0.94 0.00 0.00 52.86 51.92 2kmg s ASN 2 Cb 0.00 0.06 -0.09 0.00 -2.00 0.00 0.00 41.25 39.22 2kmg s ASN 2 CO 0.00 -0.07 0.23 0.35 -2.94 0.00 0.00 177.10 174.66 2kmg n THR 3 N 2.74 0.00 -3.41 0.54 -2.24 -1.26 -5.02 114.28 105.63 2kmg n THR 3 Ca -0.15 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.11 2kmg n THR 3 Cb 0.59 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 2kmg n THR 3 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kmg s GLU 4 N -2.04 3.56 -0.18 -0.78 -1.05 -1.26 -5.10 118.70 111.84 2kmg s GLU 4 Ca 0.00 -0.17 -0.30 0.00 -0.15 0.00 0.00 54.97 54.35 2kmg s GLU 4 Cb 0.05 -2.69 0.14 0.00 -0.44 0.00 0.00 34.13 31.19 2kmg s GLU 4 CO 0.29 0.23 1.08 -1.83 0.95 0.00 0.00 175.26 175.97 2kmg s GLU 5 N -3.76 0.48 -0.22 -4.83 -1.05 -1.26 -5.13 118.70 102.93 2kmg s GLU 5 Ca 0.42 0.10 -0.02 0.00 -0.15 0.00 0.00 54.97 55.32 2kmg s GLU 5 Cb -0.10 0.23 0.07 0.00 -0.44 0.00 0.00 34.13 33.88 2kmg s GLU 5 CO 0.32 -0.15 0.03 1.14 0.95 0.00 0.00 175.26 177.55 2kmg s GLN 6 N -1.17 0.83 0.00 -4.83 -2.07 -1.26 -4.99 119.66 106.17 2kmg s GLN 6 Ca 0.01 -0.63 0.06 0.00 -1.82 0.00 0.00 55.36 52.99 2kmg s GLN 6 Cb -0.01 -2.17 0.38 0.00 -1.09 0.00 0.00 33.01 30.13 2kmg s GLN 6 CO -0.01 -0.69 0.79 -2.30 -1.32 0.00 0.00 175.29 171.76 2kmg n PRO 7 N 4.95 0.40 -3.93 9.60 -0.02 -1.26 -4.68 135.00 140.06 2kmg n PRO 7 Ca -0.08 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.04 2kmg n PRO 7 Cb 0.46 -1.25 -0.08 0.00 -0.02 0.00 0.00 33.50 32.61 2kmg n PRO 7 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kmg s VAL 8 N -2.00 5.21 -0.12 -1.45 1.01 -1.26 -5.00 120.40 116.80 2kmg s VAL 8 Ca 0.10 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 2kmg s VAL 8 Cb 0.04 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 33.16 2kmg s VAL 8 CO 0.07 0.55 0.37 0.42 0.00 0.00 0.00 175.10 176.51 2kmg s THR 9 N -0.47 0.01 1.00 3.92 -4.23 -1.26 -4.87 115.64 109.73 2kmg s THR 9 Ca 0.11 -0.08 -0.17 0.00 -1.18 0.00 0.00 61.69 60.37 2kmg s THR 9 Cb -0.12 -0.55 0.21 0.00 1.34 0.00 0.00 72.50 73.39 2kmg s THR 9 CO 0.02 -0.05 1.30 0.00 -0.54 0.00 0.00 174.62 175.35 2kmg s ALA 10 N -0.09 2.01 0.04 3.99 0.00 -1.26 -2.89 121.76 123.56 2kmg s ALA 10 Ca -0.03 -1.18 -0.22 0.00 0.00 0.00 0.00 51.96 50.53 2kmg s ALA 10 Cb -0.03 -2.79 0.05 0.00 0.00 0.00 0.00 23.12 20.35 2kmg s ALA 10 CO 0.01 -2.61 0.50 0.45 0.00 0.00 0.00 175.76 174.12 2kmg s SER 11 N -4.77 -0.41 -0.23 0.00 0.15 -0.51 -4.82 113.70 103.11 2kmg s SER 11 Ca 0.74 0.15 -0.22 0.00 0.70 0.00 0.00 55.95 57.32 2kmg s SER 11 Cb -0.04 0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 64.73 2kmg s SER 11 CO 0.53 -0.70 0.69 -0.22 1.20 0.00 0.00 173.24 174.75 2kmg s LEU 12 N -1.95 4.10 0.30 3.45 2.96 -1.26 -0.05 118.68 126.23 2kmg s LEU 12 Ca -0.06 0.86 -0.15 0.00 -0.22 0.00 0.00 54.13 54.56 2kmg s LEU 12 Cb -0.01 -2.97 -0.09 0.00 0.50 0.00 0.00 46.19 43.62 2kmg s LEU 12 CO -0.01 -0.38 0.72 -0.69 -1.32 0.00 0.00 176.35 174.67 2kmg s VAL 13 N 2.40 4.68 0.43 1.68 1.01 -1.19 -4.98 120.40 124.43 2kmg s VAL 13 Ca 0.30 0.97 -0.25 0.00 0.00 0.00 0.00 61.98 62.99 2kmg s VAL 13 Cb -0.16 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 2kmg s VAL 13 CO 0.09 -0.13 1.27 0.00 0.00 0.00 0.00 175.10 176.33 2kmg s ALA 14 N -1.91 3.15 0.49 5.51 0.00 -1.26 -4.78 121.76 122.96 2kmg s ALA 14 Ca 0.52 1.16 0.16 0.00 0.00 0.00 0.00 51.96 53.80 2kmg s ALA 14 Cb -0.11 -3.46 1.18 0.00 0.00 0.00 0.00 23.12 20.73 2kmg s ALA 14 CO 0.18 -0.81 2.08 1.05 0.00 0.00 0.00 175.76 178.26 2kmg h GLU 15 N 2.45 0.16 0.00 0.00 -0.00 -1.98 0.39 114.58 115.60 2kmg h GLU 15 Ca -0.50 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.85 2kmg h GLU 15 Cb 1.25 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 2kmg h GLU 15 CO 0.62 0.11 0.00 0.00 -0.00 0.00 0.00 179.01 179.73 2kmg h ALA 16 N 1.85 1.00 0.00 1.06 0.00 -2.04 -3.08 119.26 118.05 2kmg h ALA 16 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kmg h ALA 16 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kmg h ALA 16 CO -0.02 0.00 -0.65 1.04 0.00 0.00 0.00 179.25 179.62 2kmg n GLN 17 N -2.77 3.26 0.02 0.00 1.13 -0.10 -4.55 117.38 114.36 2kmg n GLN 17 Ca 0.02 -0.02 -0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2kmg n GLN 17 Cb 0.31 -0.95 0.30 0.00 0.11 0.00 0.00 30.24 30.01 2kmg n GLN 17 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kmg h ARG 18 N 0.00 0.49 0.00 -1.09 3.08 -0.23 0.32 114.38 116.95 2kmg h ARG 18 Ca 0.00 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2kmg h ARG 18 Cb 0.22 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2kmg h ARG 18 CO 0.00 0.55 -0.03 1.37 -1.07 0.00 0.00 179.97 180.79 2kmg h LEU 19 N 0.46 0.00 0.00 3.04 8.10 -1.80 -2.64 115.31 122.47 2kmg h LEU 19 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.09 2kmg h LEU 19 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 2kmg h LEU 19 CO 0.02 0.03 -1.08 -0.67 -4.11 0.00 0.00 178.44 172.63 2kmg n ASP 20 N -3.29 2.08 -0.17 0.17 2.03 -0.78 -4.57 116.55 112.01 2kmg n ASP 20 Ca -0.02 -0.24 -0.08 0.00 0.52 0.00 0.00 54.79 54.97 2kmg n ASP 20 Cb 0.17 1.27 0.01 0.00 -0.72 0.00 0.00 41.12 41.85 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 0.75 0.23 -0.67 3.04 -0.02 -0.07 116.94 120.19 2kmg h PHE 21 Ca 0.00 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 2kmg h PHE 21 Cb 0.34 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.63 2kmg h PHE 21 CO 0.00 0.63 -0.11 -0.07 -2.02 0.00 0.00 178.31 176.74 2kmg h LEU 22 N 0.65 -0.26 -1.09 0.59 -0.00 -1.80 -0.71 115.31 112.69 2kmg h LEU 22 Ca 0.16 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2kmg h LEU 22 Cb 0.20 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 2kmg h LEU 22 CO -0.01 -0.03 0.00 1.55 -0.00 0.00 0.00 178.44 179.95 2kmg h PRO 23 N -0.49 0.00 0.17 1.13 0.13 -1.67 0.31 132.00 131.58 2kmg h PRO 23 Ca -0.03 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.75 2kmg h PRO 23 Cb 0.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 2kmg h PRO 23 CO 0.05 0.00 -1.75 1.15 -0.23 0.00 0.00 178.00 177.22 2kmg h THR 24 N 0.00 0.92 0.00 1.56 2.02 -0.83 -0.92 112.91 115.67 2kmg h THR 24 Ca 0.00 -2.53 -0.29 0.00 0.77 0.00 0.00 66.41 64.36 2kmg h THR 24 Cb 0.46 2.73 -0.05 0.00 -1.74 0.00 0.00 68.15 69.54 2kmg h THR 24 CO 0.00 0.85 -2.18 -1.22 0.37 0.00 0.00 175.52 173.34 2kmg n TYR 25 N -3.55 0.00 -0.10 3.16 4.01 -0.29 -4.61 117.16 115.78 2kmg n TYR 25 Ca -0.24 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.30 2kmg n TYR 25 Cb 1.07 -0.83 -0.12 0.00 -0.31 0.00 0.00 39.34 39.15 2kmg n TYR 25 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2kmg n PHE 26 N -2.61 0.33 0.00 -0.72 7.35 0.10 -5.08 117.46 116.83 2kmg n PHE 26 Ca -0.26 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 2kmg n PHE 26 Cb 1.02 -1.04 0.00 0.00 0.35 0.00 0.00 39.48 39.81 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 2.09 4.74 0.34 7.13 0.00 -0.69 -4.62 105.19 114.18 2kmg n GLY 27 Ca -0.43 -0.99 0.22 0.00 0.00 0.00 0.00 46.02 44.81 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 0.02 1.61 0.13 -1.45 0.71 132.00 133.03 2kmg h PRO 28 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.75 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 -2.39 -2.13 -0.23 0.00 0.00 178.00 173.25 2kmg n ARG 29 N -3.08 0.67 0.18 0.86 3.00 -1.26 -4.44 116.66 112.59 2kmg n ARG 29 Ca -0.03 0.17 0.02 0.00 -0.00 0.00 0.00 57.85 58.02 2kmg n ARG 29 Cb 0.12 -1.56 0.33 0.00 0.00 0.00 0.00 32.46 31.36 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 0.01 0.00 -0.75 6.15 -0.00 -1.65 -3.26 115.31 115.82 2kmg h LEU 30 Ca -0.55 0.00 0.28 0.00 -0.00 0.00 0.00 57.88 57.61 2kmg h LEU 30 Cb 1.93 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 42.50 2kmg h LEU 30 CO -0.05 0.42 0.45 1.15 -0.00 0.00 0.00 178.44 180.41 2kmg n MET 31 N -3.94 -0.03 -0.09 1.13 0.00 0.18 0.15 117.12 114.53 2kmg n MET 31 Ca -0.02 0.79 -0.10 0.00 0.00 0.00 0.00 57.70 58.37 2kmg n MET 31 Cb 0.46 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 32.07 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 -4.08 1.04 0.27 3.17 0.00 -1.24 -3.43 117.12 112.86 2kmg n MET 32 Ca 0.24 0.05 0.18 0.00 0.00 0.00 0.00 57.70 58.17 2kmg n MET 32 Cb 0.88 -1.39 0.81 0.00 0.00 0.00 0.00 33.22 33.52 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 0.11 -2.72 114.38 117.41 2kmg h ARG 33 Ca -0.42 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.04 2kmg h ARG 33 Cb 1.81 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 30.09 2kmg h ARG 33 CO -0.02 0.00 -1.95 0.41 0.56 0.00 0.00 179.97 178.97 2kmg n GLY 34 N -0.33 -0.24 0.37 0.04 0.00 0.41 -3.98 105.19 101.45 2kmg n GLY 34 Ca -0.00 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.02 2kmg n GLY 34 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kmg h GLU 35 N -0.17 0.64 0.00 1.61 4.81 -1.60 0.16 114.58 120.04 2kmg h GLU 35 Ca -0.39 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.69 2kmg h GLU 35 Cb 1.53 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 2kmg h GLU 35 CO -0.11 0.43 -0.55 0.00 -0.73 0.00 0.00 179.01 178.05 2kmg h ALA 36 N 1.61 0.71 -0.33 2.92 0.00 -1.72 -3.20 119.26 119.26 2kmg h ALA 36 Ca 0.38 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2kmg h ALA 36 Cb 0.57 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kmg h ALA 36 CO -0.15 0.68 -0.49 1.25 0.00 0.00 0.00 179.25 180.54 2kmg h LEU 37 N 0.00 1.00 -0.36 0.00 7.12 -0.87 -1.05 115.31 121.15 2kmg h LEU 37 Ca -0.01 -0.51 -0.11 0.00 0.13 0.00 0.00 57.88 57.39 2kmg h LEU 37 Cb 1.32 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 41.15 2kmg h LEU 37 CO 0.07 1.31 -0.20 -0.37 -0.13 0.00 0.00 178.44 179.12 2kmg h VAL 38 N 0.71 1.29 0.00 1.05 -1.51 -1.32 -2.85 116.25 113.62 2kmg h VAL 38 Ca 0.03 -1.34 -0.03 0.00 -1.23 0.00 0.00 66.70 64.13 2kmg h VAL 38 Cb 1.10 1.38 -0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2kmg h VAL 38 CO 0.11 0.44 -0.17 0.10 -1.23 0.00 0.00 177.57 176.83 2kmg h TYR 39 N 0.56 0.00 -0.74 5.19 -0.00 -1.59 -3.09 116.97 117.30 2kmg h TYR 39 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.77 2kmg h TYR 39 Cb 0.76 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.45 2kmg h TYR 39 CO 0.06 0.17 0.30 0.00 -0.00 0.00 0.00 178.16 178.69 2kmg h ALA 40 N 1.83 0.96 -0.00 0.10 0.00 -0.95 -2.34 119.26 118.86 2kmg h ALA 40 Ca -0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 2kmg h ALA 40 Cb 0.89 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2kmg h ALA 40 CO 0.02 0.57 -0.79 -1.49 0.00 0.00 0.00 179.25 177.57 2kmg h TRP 41 N 1.06 0.10 -0.02 0.00 4.06 -1.50 -3.24 115.95 116.40 2kmg h TRP 41 Ca 0.25 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 61.15 2kmg h TRP 41 Cb 0.20 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.35 2kmg h TRP 41 CO 0.02 0.82 0.01 1.98 -3.56 0.00 0.00 178.44 177.71 2kmg h MET 42 N 0.04 0.03 0.00 0.49 4.05 -1.39 -2.18 114.93 115.97 2kmg h MET 42 Ca -0.02 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2kmg h MET 42 Cb 1.38 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.17 2kmg h MET 42 CO 0.11 0.13 0.00 0.07 0.23 0.00 0.00 176.91 177.44 2kmg h ARG 43 N -0.06 0.00 0.00 0.39 0.11 -1.50 -1.02 114.38 112.29 2kmg h ARG 43 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 2kmg h ARG 43 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 2kmg h ARG 43 CO -0.00 0.00 -0.15 0.00 0.10 0.00 0.00 179.97 179.92 2kmg h ARG 44 N 0.00 0.00 0.00 0.08 3.08 -1.42 -3.24 114.38 112.88 2kmg h ARG 44 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2kmg h ARG 44 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2kmg h ARG 44 CO 0.00 0.00 -0.91 -0.07 -1.07 0.00 0.00 179.97 177.92 2kmg h LEU 45 N 0.00 0.00 -8.32 3.04 3.38 -0.98 -3.44 115.31 108.98 2kmg h LEU 45 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2kmg h LEU 45 Cb 0.99 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.44 2kmg h LEU 45 CO 0.00 0.07 -0.84 0.00 0.09 0.00 0.00 178.44 177.77 2kmg h GLU 47 N 5.77 0.00 -1.82 0.00 4.11 -1.88 -3.34 114.58 117.43 2kmg h GLU 47 Ca -0.37 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.42 2kmg h GLU 47 Cb 1.15 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.02 2kmg h GLU 47 CO 0.48 0.23 -0.21 2.89 0.07 0.00 0.00 179.01 182.47 2kmg n ARG 48 N -3.01 3.41 -3.92 1.06 1.85 -1.26 -4.96 116.66 109.82 2kmg n ARG 48 Ca -0.00 -4.39 -0.34 0.00 -1.00 0.00 0.00 57.85 52.12 2kmg n ARG 48 Cb 0.67 -2.27 -0.14 0.00 -1.05 0.00 0.00 32.46 29.68 2kmg n ARG 48 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 2kmg s TYR 49 N -3.70 3.57 -0.03 2.89 6.14 -1.25 -4.99 117.35 119.98 2kmg s TYR 49 Ca 0.48 -2.54 -0.01 0.00 0.64 0.00 0.00 57.07 55.64 2kmg s TYR 49 Cb 0.37 -2.81 -0.00 0.00 0.42 0.00 0.00 41.96 39.94 2kmg s TYR 49 CO -0.22 -0.93 -0.02 -0.91 0.64 0.00 0.00 175.55 174.11 2kmg h ASN 50 N 7.85 0.00 -5.28 4.32 2.35 -1.94 -3.46 115.58 119.42 2kmg h ASN 50 Ca -0.12 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.76 2kmg h ASN 50 Cb 1.04 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.37 2kmg h ASN 50 CO 0.58 0.17 0.47 -0.83 -1.65 0.00 0.00 177.43 176.17 2kmg s GLY 51 N -2.63 0.07 0.11 2.83 0.00 -1.26 -5.06 107.32 101.37 2kmg s GLY 51 Ca -0.01 -0.31 -0.26 0.00 0.00 0.00 0.00 44.72 44.14 2kmg s GLY 51 CO 0.02 1.04 0.96 0.00 0.00 0.00 0.00 173.10 175.12 2kmg s ALA 52 N -2.59 -1.72 -0.70 3.20 0.00 -1.26 -5.02 121.76 113.66 2kmg s ALA 52 Ca 0.17 0.37 -0.19 0.00 0.00 0.00 0.00 51.96 52.32 2kmg s ALA 52 Cb -0.03 0.57 0.12 0.00 0.00 0.00 0.00 23.12 23.78 2kmg s ALA 52 CO 0.06 -0.95 0.84 0.71 0.00 0.00 0.00 175.76 176.42 2kmg s TYR 53 N -3.21 3.06 -1.14 0.00 2.02 -1.26 -4.81 117.35 112.01 2kmg s TYR 53 Ca 0.10 -1.11 -0.21 0.00 -0.37 0.00 0.00 57.07 55.48 2kmg s TYR 53 Cb -0.01 -4.10 0.01 0.00 -0.40 0.00 0.00 41.96 37.46 2kmg s TYR 53 CO -0.01 -1.36 1.75 -1.58 -1.57 0.00 0.00 175.55 172.79 2kmg s TRP 54 N 2.60 2.35 0.13 2.71 0.52 -1.25 -1.73 118.94 124.27 2kmg s TRP 54 Ca 0.18 -0.53 -0.34 0.00 0.02 0.00 0.00 56.10 55.43 2kmg s TRP 54 Cb -0.17 -4.43 -0.14 0.00 -1.15 0.00 0.00 33.47 27.58 2kmg s TRP 54 CO 0.02 -1.68 1.62 0.72 0.02 0.00 0.00 176.95 177.65 2kmg n HIS 55 N 10.96 2.28 -2.33 -1.98 8.25 0.47 -4.47 115.22 128.40 2kmg n HIS 55 Ca 0.43 0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 57.70 2kmg n HIS 55 Cb 0.47 -2.56 -0.03 0.00 1.12 0.00 0.00 29.99 28.99 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 1.33 3.37 -0.02 4.41 2.02 -1.26 -2.47 117.35 124.74 2kmg s TYR 56 Ca 0.81 1.22 0.07 0.00 -0.37 0.00 0.00 57.07 58.79 2kmg s TYR 56 Cb -0.68 -3.51 -0.02 0.00 -0.40 0.00 0.00 41.96 37.35 2kmg s TYR 56 CO 0.40 -1.61 -0.23 0.71 -1.57 0.00 0.00 175.55 173.24 2kmg s TYR 57 N 0.84 2.42 -0.38 2.71 2.02 0.48 -3.14 117.35 122.31 2kmg s TYR 57 Ca 0.59 -0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 56.87 2kmg s TYR 57 Cb -0.32 -1.51 0.07 0.00 -0.40 0.00 0.00 41.96 39.80 2kmg s TYR 57 CO 0.31 0.04 0.16 0.00 -1.57 0.00 0.00 175.55 174.49 2kmg s ALA 58 N -0.67 3.11 0.32 3.71 0.00 0.92 -2.60 121.76 126.54 2kmg s ALA 58 Ca 0.11 -2.11 -0.19 0.00 0.00 0.00 0.00 51.96 49.77 2kmg s ALA 58 Cb -0.10 -2.36 -0.09 0.00 0.00 0.00 0.00 23.12 20.56 2kmg s ALA 58 CO -0.00 -1.56 0.81 -0.51 0.00 0.00 0.00 175.76 174.50 2kmg s LEU 59 N 1.30 4.15 0.00 0.00 1.43 -1.26 -1.42 118.68 122.88 2kmg s LEU 59 Ca 0.02 1.48 0.32 0.00 -1.03 0.00 0.00 54.13 54.92 2kmg s LEU 59 Cb -0.22 -4.04 1.85 0.00 0.03 0.00 0.00 46.19 43.81 2kmg s LEU 59 CO -0.00 -0.16 2.20 -1.20 0.23 0.00 0.00 176.35 177.42 2kmg n SER 60 N -0.02 0.00 -0.06 2.29 7.64 -1.14 -2.89 113.62 119.44 2kmg n SER 60 Ca 0.03 -0.87 0.10 0.00 1.01 0.00 0.00 58.87 59.13 2kmg n SER 60 Cb 0.52 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.61 2kmg n SER 60 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kmg n ASP 61 N -1.04 1.08 0.00 6.43 2.03 -1.26 -4.96 116.55 118.82 2kmg n ASP 61 Ca 0.23 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.54 2kmg n ASP 61 Cb 0.13 0.88 0.00 0.00 -0.72 0.00 0.00 41.12 41.40 2kmg n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kmg n GLY 62 N 1.49 0.79 0.06 0.27 0.00 -1.14 -4.92 105.19 101.74 2kmg n GLY 62 Ca 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 2kmg n GLY 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kmg h GLY 63 N 0.00 0.00 -3.73 -0.02 0.00 -1.79 -3.41 103.07 94.11 2kmg h GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kmg h GLY 63 CO 0.00 0.00 -0.79 0.69 0.00 0.00 0.00 176.54 176.44 2kmg n PHE 64 N -4.68 -4.12 -4.14 5.60 3.72 -1.26 -4.74 117.46 107.84 2kmg n PHE 64 Ca -0.06 2.46 -0.11 0.00 -0.05 0.00 0.00 57.45 59.70 2kmg n PHE 64 Cb 0.25 -3.40 -0.09 0.00 -0.94 0.00 0.00 39.48 35.30 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2kmg s TYR 65 N -0.51 0.92 0.06 1.38 1.13 -1.07 -4.96 117.35 114.30 2kmg s TYR 65 Ca 0.00 -1.22 0.08 0.00 -1.41 0.00 0.00 57.07 54.52 2kmg s TYR 65 Cb 0.00 -0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 40.40 2kmg s TYR 65 CO 0.00 -0.62 -0.23 -1.64 -2.51 0.00 0.00 175.55 170.55 2kmg s MET 66 N -4.09 1.44 -0.01 -3.49 -1.94 -1.26 -0.39 119.30 109.56 2kmg s MET 66 Ca 0.30 -1.06 0.01 0.00 -1.71 0.00 0.00 55.69 53.23 2kmg s MET 66 Cb 0.06 -1.63 0.01 0.00 2.01 0.00 0.00 34.83 35.28 2kmg s MET 66 CO 0.07 0.41 -0.03 0.00 -0.01 0.00 0.00 175.02 175.46 2kmg s ALA 67 N -0.89 0.30 0.92 3.03 0.00 -1.03 -4.44 121.76 119.65 2kmg s ALA 67 Ca 0.09 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 2kmg s ALA 67 Cb -0.09 -0.14 0.15 0.00 0.00 0.00 0.00 23.12 23.03 2kmg s ALA 67 CO 0.03 0.04 1.11 -1.25 0.00 0.00 0.00 175.76 175.68 2kmg s PRO 68 N 0.21 1.01 -0.91 0.00 0.04 -1.22 -0.40 135.00 133.72 2kmg s PRO 68 Ca -0.02 1.23 -0.06 0.00 0.04 0.00 0.00 61.00 62.18 2kmg s PRO 68 Cb -0.05 -1.75 0.23 0.00 0.04 0.00 0.00 34.50 32.97 2kmg s PRO 68 CO -0.00 -2.53 0.83 0.34 0.04 0.00 0.00 177.00 175.67 2kmg s ASP 69 N -2.93 6.43 -0.15 6.66 2.15 -0.71 -4.52 116.67 123.60 2kmg s ASP 69 Ca 0.65 -3.37 -0.03 0.00 0.43 0.00 0.00 52.55 50.23 2kmg s ASP 69 Cb -0.21 -2.05 0.05 0.00 -0.30 0.00 0.00 42.92 40.41 2kmg s ASP 69 CO 0.58 -0.31 0.05 -0.76 -0.17 0.00 0.00 175.17 174.56 2kmg s LEU 70 N -0.86 0.68 -0.33 -1.34 2.01 -1.26 -4.65 118.68 112.92 2kmg s LEU 70 Ca 0.25 -0.51 -0.23 0.00 0.01 0.00 0.00 54.13 53.65 2kmg s LEU 70 Cb -0.11 -0.40 0.00 0.00 0.01 0.00 0.00 46.19 45.70 2kmg s LEU 70 CO -0.09 -0.29 0.78 0.00 1.01 0.00 0.00 176.35 177.75 2kmg s ALA 71 N 2.01 3.48 0.00 4.21 0.00 -1.26 -3.42 121.76 126.78 2kmg s ALA 71 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2kmg s ALA 71 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2kmg s ALA 71 CO -0.07 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.77 2kmg n GLY 72 N 4.37 0.69 3.30 0.00 0.00 -1.26 -5.04 105.19 107.25 2kmg n GLY 72 Ca 0.03 -1.79 -0.36 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 -1.49 3.20 -0.31 1.61 3.00 -1.26 -4.21 118.95 119.49 2kmg s ARG 73 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 55.73 54.88 2kmg s ARG 73 Cb 0.00 -3.11 -0.02 0.00 0.00 0.00 0.00 34.95 31.82 2kmg s ARG 73 CO 0.00 -0.30 0.17 -0.51 0.00 0.00 0.00 175.30 174.66 2kmg s LEU 74 N 1.46 4.14 -0.90 2.53 1.43 -0.88 -4.91 118.68 121.55 2kmg s LEU 74 Ca 0.04 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 52.47 2kmg s LEU 74 Cb -0.16 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 2kmg s LEU 74 CO -0.02 -0.17 2.10 -0.70 0.23 0.00 0.00 176.35 177.78 2kmg s GLU 75 N 1.66 2.18 -0.38 1.70 2.12 -1.26 -1.20 118.70 123.53 2kmg s GLU 75 Ca 0.05 -0.14 -0.07 0.00 0.36 0.00 0.00 54.97 55.18 2kmg s GLU 75 Cb -0.17 -4.99 0.06 0.00 0.26 0.00 0.00 34.13 29.30 2kmg s GLU 75 CO 0.08 -3.87 0.17 0.42 -0.54 0.00 0.00 175.26 171.51 2kmg s ILE 76 N 11.98 3.85 -0.25 -3.70 -1.09 -1.23 -4.73 121.20 126.04 2kmg s ILE 76 Ca 0.77 -1.36 -0.26 0.00 -2.23 0.00 0.00 60.65 57.57 2kmg s ILE 76 Cb -0.08 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 2kmg s ILE 76 CO 0.04 -0.36 0.92 -1.83 -1.23 0.00 0.00 174.94 172.48 2kmg s GLU 77 N 1.37 4.18 -0.91 2.79 -1.05 0.11 -2.93 118.70 122.26 2kmg s GLU 77 Ca 0.01 1.07 -0.23 0.00 -0.15 0.00 0.00 54.97 55.67 2kmg s GLU 77 Cb -0.21 -3.66 0.07 0.00 -0.44 0.00 0.00 34.13 29.89 2kmg s GLU 77 CO 0.01 -0.61 1.29 0.08 0.95 0.00 0.00 175.26 176.98 2kmg s VAL 78 N 3.06 4.12 -0.84 1.83 1.01 -0.65 -4.30 120.40 124.63 2kmg s VAL 78 Ca 0.39 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2kmg s VAL 78 Cb -0.15 -4.93 0.00 0.00 0.00 0.00 0.00 36.38 31.31 2kmg s VAL 78 CO 0.08 -1.77 0.50 -0.46 0.00 0.00 0.00 175.10 173.45 2kmg n ASN 79 N 8.28 1.14 0.04 3.32 2.04 -1.26 -1.36 115.26 127.46 2kmg n ASN 79 Ca 0.22 -1.74 0.11 0.00 -0.44 0.00 0.00 54.58 52.73 2kmg n ASN 79 Cb 0.50 -0.43 -0.09 0.00 -2.53 0.00 0.00 39.78 37.22 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 0.14 -1.21 0.10 4.83 0.00 -1.26 -4.58 105.19 103.22 2kmg n GLY 80 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.41 0.00 -0.50 1.61 0.23 -1.16 -4.95 115.26 108.08 2kmg n ASN 81 Ca -0.02 -1.04 -0.06 0.00 -0.53 0.00 0.00 54.58 52.93 2kmg n ASN 81 Cb 0.55 -0.01 -0.03 0.00 -2.08 0.00 0.00 39.78 38.22 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 0.00 0.88 3.42 4.83 0.00 -0.47 -4.98 105.19 108.87 2kmg n GLY 82 Ca 0.00 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.24 2.99 -0.44 1.61 5.36 -0.91 -4.91 117.98 119.44 2kmg s PHE 83 Ca 0.00 -1.04 -0.28 0.00 -0.96 0.00 0.00 56.93 54.64 2kmg s PHE 83 Cb 0.00 -4.17 0.03 0.00 -0.34 0.00 0.00 43.02 38.54 2kmg s PHE 83 CO 0.00 -1.44 1.07 0.50 -1.46 0.00 0.00 175.22 173.89 2kmg s ARG 84 N 2.93 3.75 -0.16 10.12 3.52 -1.26 -1.64 118.95 136.20 2kmg s ARG 84 Ca 0.22 0.57 -0.08 0.00 -0.13 0.00 0.00 55.73 56.31 2kmg s ARG 84 Cb -0.15 -3.88 0.06 0.00 -1.56 0.00 0.00 34.95 29.43 2kmg s ARG 84 CO 0.01 -1.24 0.38 0.20 -0.81 0.00 0.00 175.30 173.84 2kmg s GLY 85 N 2.25 -0.30 -0.24 8.12 0.00 -1.15 -4.96 107.32 111.05 2kmg s GLY 85 Ca 0.45 1.42 -0.29 0.00 0.00 0.00 0.00 44.72 46.30 2kmg s GLY 85 CO 0.27 1.75 1.42 -0.54 0.00 0.00 0.00 173.10 176.00 2kmg s GLU 86 N 1.62 3.95 0.12 2.90 2.02 -1.26 -3.49 118.70 124.56 2kmg s GLU 86 Ca -0.08 1.51 0.07 0.00 0.02 0.00 0.00 54.97 56.49 2kmg s GLU 86 Cb -0.09 -3.92 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 2kmg s GLU 86 CO -0.12 -1.09 -0.17 -0.51 0.02 0.00 0.00 175.26 173.39 2kmg s LEU 87 N 4.48 2.37 0.76 1.80 1.02 -0.34 -4.75 118.68 124.02 2kmg s LEU 87 Ca 0.62 -0.77 -0.11 0.00 0.02 0.00 0.00 54.13 53.89 2kmg s LEU 87 Cb -0.21 -0.73 0.05 0.00 0.02 0.00 0.00 46.19 45.32 2kmg s LEU 87 CO 0.24 -0.04 1.08 -0.94 0.02 0.00 0.00 176.35 176.71 2kmg s SER 88 N -2.28 4.74 0.40 2.29 1.04 -1.26 -2.07 113.70 116.56 2kmg s SER 88 Ca 0.09 1.52 0.24 0.00 0.48 0.00 0.00 55.95 58.28 2kmg s SER 88 Cb -0.07 -2.30 1.29 0.00 0.10 0.00 0.00 66.02 65.04 2kmg s SER 88 CO 0.04 -1.84 1.70 0.00 0.98 0.00 0.00 173.24 174.13 2kmg h ALA 89 N -1.00 1.07 0.00 5.32 0.00 -1.80 -0.16 119.26 122.69 2kmg h ALA 89 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2kmg h ALA 89 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kmg h ALA 89 CO 0.57 -0.07 -0.22 0.22 0.00 0.00 0.00 179.25 179.75 2kmg h ASP 90 N 0.00 0.00 0.47 0.00 3.58 -1.85 -2.24 116.42 116.38 2kmg h ASP 90 Ca 0.00 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2kmg h ASP 90 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2kmg h ASP 90 CO 0.00 0.73 0.00 0.00 -2.88 0.00 0.00 179.24 177.09 2kmg n ALA 91 N -2.99 1.84 -0.09 -0.78 0.00 -0.95 -2.76 120.51 114.77 2kmg n ALA 91 Ca -0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 2kmg n ALA 91 Cb 0.20 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 2kmg n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg n ALA 92 N -1.41 1.55 0.27 0.00 0.00 -0.11 -4.29 120.51 116.51 2kmg n ALA 92 Ca 0.06 -1.16 0.10 0.00 0.00 0.00 0.00 53.44 52.43 2kmg n ALA 92 Cb 0.17 -0.12 0.45 0.00 0.00 0.00 0.00 19.45 19.96 2kmg n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kmg n GLY 93 N 1.96 -0.99 0.06 0.00 0.00 -0.84 -2.21 105.19 103.17 2kmg n GLY 93 Ca -0.31 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 2kmg n GLY 93 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kmg h ILE 94 N 0.00 0.89 0.00 -0.61 2.04 -1.74 -2.98 117.51 115.10 2kmg h ILE 94 Ca 0.00 -1.68 -0.01 0.00 1.00 0.00 0.00 64.86 64.17 2kmg h ILE 94 Cb 0.17 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2kmg h ILE 94 CO 0.00 0.30 -0.04 0.58 0.00 0.00 0.00 178.15 179.00 2kmg h VAL 95 N -1.00 0.37 -0.00 1.67 2.07 -1.73 0.55 116.25 118.18 2kmg h VAL 95 Ca -0.01 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 2kmg h VAL 95 Cb 0.54 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2kmg h VAL 95 CO -0.01 0.03 -0.30 0.00 0.02 0.00 0.00 177.57 177.31 2kmg h ALA 96 N 1.96 0.04 -0.02 1.67 0.00 -1.54 -2.76 119.26 118.61 2kmg h ALA 96 Ca -0.00 -0.48 -0.21 0.00 0.00 0.00 0.00 54.91 54.21 2kmg h ALA 96 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kmg h ALA 96 CO 0.00 0.13 -0.88 0.00 0.00 0.00 0.00 179.25 178.50 2kmg h THR 97 N -0.44 1.40 0.01 0.00 1.03 -1.31 -3.16 112.91 110.45 2kmg h THR 97 Ca -0.04 -2.37 -0.00 0.00 -0.01 0.00 0.00 66.41 63.99 2kmg h THR 97 Cb 1.05 2.34 0.00 0.00 -1.07 0.00 0.00 68.15 70.47 2kmg h THR 97 CO 0.06 0.71 -0.01 -0.07 -0.01 0.00 0.00 175.52 176.20 2kmg h LEU 98 N 0.24 -0.01 -2.23 0.00 3.38 -1.01 -1.88 115.31 113.81 2kmg h LEU 98 Ca -0.06 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.82 2kmg h LEU 98 Cb 1.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2kmg h LEU 98 CO 0.15 0.12 0.17 -0.26 0.09 0.00 0.00 178.44 178.71 2kmg h PHE 99 N -0.14 0.00 0.01 1.13 0.04 -1.56 -0.60 116.94 115.81 2kmg h PHE 99 Ca -0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.51 2kmg h PHE 99 Cb 0.14 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.30 2kmg h PHE 99 CO -0.03 0.00 -1.02 0.00 -0.60 0.00 0.00 178.31 176.66 2kmg h ALA 100 N 1.82 0.21 -0.91 2.45 0.00 -1.38 -3.15 119.26 118.31 2kmg h ALA 100 Ca 0.08 -0.71 0.05 0.00 0.00 0.00 0.00 54.91 54.32 2kmg h ALA 100 Cb 0.41 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2kmg h ALA 100 CO -0.00 0.74 0.58 -0.07 0.00 0.00 0.00 179.25 180.50 2kmg h LEU 101 N 0.32 0.95 -1.10 0.00 3.38 -0.33 -1.23 115.31 117.30 2kmg h LEU 101 Ca -0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2kmg h LEU 101 Cb 1.67 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2kmg h LEU 101 CO 0.19 0.63 -0.40 1.23 0.09 0.00 0.00 178.44 180.18 2kmg h GLY 102 N 1.10 0.00 0.34 0.83 0.00 -1.55 -2.69 103.07 101.11 2kmg h GLY 102 Ca 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.63 2kmg h GLY 102 CO -0.14 0.00 -0.31 -1.61 0.00 0.00 0.00 176.54 174.48 2kmg h GLN 103 N 0.00 0.14 -0.01 4.80 4.15 -1.32 -2.86 115.11 120.01 2kmg h GLN 103 Ca -0.00 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.21 2kmg h GLN 103 Cb 0.81 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.56 2kmg h GLN 103 CO 0.05 1.04 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.92 2kmg h LEU 104 N -0.66 0.01 -0.36 -2.39 3.38 -1.29 0.33 115.31 114.34 2kmg h LEU 104 Ca -0.05 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 2kmg h LEU 104 Cb 1.17 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2kmg h LEU 104 CO 0.06 0.02 -0.79 0.00 0.09 0.00 0.00 178.44 177.82 2kmg h ALA 105 N 1.98 0.57 0.00 1.53 0.00 -1.54 -3.04 119.26 118.76 2kmg h ALA 105 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2kmg h ALA 105 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2kmg h ALA 105 CO 0.00 0.80 -0.49 0.00 0.00 0.00 0.00 179.25 179.57 2kmg n ALA 106 N -2.50 2.94 0.09 0.00 0.00 -0.54 -3.89 120.51 116.61 2kmg n ALA 106 Ca -0.04 -0.24 -0.22 0.00 0.00 0.00 0.00 53.44 52.94 2kmg n ALA 106 Cb 0.74 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.85 2kmg n ALA 106 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kmg h GLU 107 N 0.00 0.62 -1.00 0.00 4.22 -0.32 -3.21 114.58 114.90 2kmg h GLU 107 Ca 0.00 -0.83 0.00 0.00 0.08 0.00 0.00 59.36 58.61 2kmg h GLU 107 Cb 0.68 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2kmg h GLU 107 CO 0.00 1.38 0.00 0.44 -2.18 0.00 0.00 179.01 178.65 2kmg n ILE 108 N -3.79 0.43 -1.73 2.32 -5.35 -1.15 -4.81 119.36 105.28 2kmg n ILE 108 Ca -0.14 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.10 2kmg n ILE 108 Cb 0.98 -0.70 -0.05 0.00 -1.74 0.00 0.00 39.64 38.13 2kmg n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kmg s ALA 109 N -0.51 1.27 0.00 -1.28 0.00 -1.21 -4.34 121.76 115.69 2kmg s ALA 109 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2kmg s ALA 109 Cb 0.00 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.63 2kmg s ALA 109 CO 0.00 -5.14 0.64 -3.47 0.00 0.00 0.00 175.76 167.79 2kmg n ASP 110 N 16.39 -0.30 -2.27 0.00 2.03 -1.26 -5.09 116.55 126.04 2kmg n ASP 110 Ca 0.40 -1.28 -0.04 0.00 0.52 0.00 0.00 54.79 54.39 2kmg n ASP 110 Cb 0.48 0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 40.94 2kmg n ASP 110 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2kmg n THR 111 N 0.00 -9.89 0.00 5.18 -1.04 -1.26 -5.03 114.28 102.24 2kmg n THR 111 Ca -0.08 1.89 0.00 0.00 -2.04 0.00 0.00 64.05 63.82 2kmg n THR 111 Cb 0.55 -5.71 0.00 0.00 -1.82 0.00 0.00 70.33 63.36 2kmg n THR 111 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2kmg n ASP 112 N 1.11 0.00 0.00 8.00 2.03 -1.26 -5.11 116.55 121.32 2kmg n ASP 112 Ca -0.27 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.04 2kmg n ASP 112 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 2kmg n ASP 112 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmg n ALA 113 N -2.20 0.15 -0.46 -1.67 0.00 -1.26 -4.91 120.51 110.16 2kmg n ALA 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kmg n ALA 113 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kmg n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg n ALA 114 N -3.00 0.00 -0.08 0.00 0.00 -1.26 -4.43 120.51 111.73 2kmg n ALA 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kmg n ALA 114 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2kmg n ALA 114 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kmg n ASP 115 N 0.00 0.09 -0.08 0.00 2.03 -1.26 -4.61 116.55 112.72 2kmg n ASP 115 Ca 0.00 -0.38 -0.17 0.00 0.52 0.00 0.00 54.79 54.76 2kmg n ASP 115 Cb 0.00 0.43 -0.12 0.00 -0.72 0.00 0.00 41.12 40.71 2kmg n ASP 115 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmg h ALA 116 N 0.00 0.10 -0.05 -1.67 0.00 -1.96 -3.34 119.26 112.35 2kmg h ALA 116 Ca 0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 54.91 54.10 2kmg h ALA 116 Cb 0.04 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kmg h ALA 116 CO 0.00 0.27 -0.18 1.37 0.00 0.00 0.00 179.25 180.71 2kmg h LEU 117 N -1.00 0.07 -1.90 0.00 8.10 -1.95 -2.39 115.31 116.24 2kmg h LEU 117 Ca -0.13 -0.01 0.36 0.00 0.11 0.00 0.00 57.88 58.20 2kmg h LEU 117 Cb 1.09 -0.02 -0.06 0.00 -0.44 0.00 0.00 40.66 41.23 2kmg h LEU 117 CO -0.08 0.26 0.88 0.40 -4.11 0.00 0.00 178.44 175.79 2kmg h ILE 118 N 0.07 0.38 -0.63 0.15 1.08 -1.82 0.72 117.51 117.46 2kmg h ILE 118 Ca 0.01 -0.02 0.13 0.00 -0.39 0.00 0.00 64.86 64.59 2kmg h ILE 118 Cb 0.37 0.32 -0.10 0.00 -3.07 0.00 0.00 36.82 34.34 2kmg h ILE 118 CO 0.03 0.01 0.05 0.44 -0.69 0.00 0.00 178.15 177.99 2kmg h ASP 119 N 0.05 -0.17 -0.99 1.72 5.19 -1.59 -0.37 116.42 120.25 2kmg h ASP 119 Ca 0.61 0.14 0.12 0.00 -0.62 0.00 0.00 57.03 57.28 2kmg h ASP 119 Cb 2.30 0.23 -0.09 0.00 0.18 0.00 0.00 39.33 41.96 2kmg h ASP 119 CO -0.06 -0.08 0.62 0.03 -3.12 0.00 0.00 179.24 176.63 2kmg h ARG 120 N 0.17 0.94 0.71 3.56 -0.00 -1.07 -1.36 114.38 117.33 2kmg h ARG 120 Ca 0.33 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.98 59.72 2kmg h ARG 120 Cb 0.54 -0.21 0.01 0.00 0.00 0.00 0.00 29.97 30.30 2kmg h ARG 120 CO -0.50 0.62 -0.34 -0.92 0.00 0.00 0.00 179.97 178.83 2kmg h TYR 121 N 0.97 -0.89 -0.21 3.04 5.03 -1.18 -1.21 116.97 122.52 2kmg h TYR 121 Ca 0.50 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.85 2kmg h TYR 121 Cb 0.50 0.29 -0.01 0.00 1.55 0.00 0.00 36.73 39.07 2kmg h TYR 121 CO -0.01 -0.55 0.18 0.45 -1.32 0.00 0.00 178.16 176.91 2kmg h HIS 122 N -0.95 0.00 0.16 -3.82 3.86 -1.17 -0.38 115.15 112.85 2kmg h HIS 122 Ca -0.10 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 2kmg h HIS 122 Cb 0.73 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.20 2kmg h HIS 122 CO -0.03 0.00 -0.08 0.74 0.86 0.00 0.00 177.93 179.43 2kmg h PHE 123 N 0.00 -0.20 -0.27 2.45 0.04 -0.80 -3.25 116.94 114.90 2kmg h PHE 123 Ca 0.10 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 2kmg h PHE 123 Cb 0.47 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2kmg h PHE 123 CO 0.00 0.23 0.11 1.25 -0.60 0.00 0.00 178.31 179.30 2kmg h LEU 124 N -0.86 0.37 -1.46 1.54 5.85 -0.87 -2.78 115.31 117.11 2kmg h LEU 124 Ca -0.02 -0.16 0.37 0.00 0.84 0.00 0.00 57.88 58.90 2kmg h LEU 124 Cb 0.53 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.35 2kmg h LEU 124 CO 0.04 0.43 0.80 -0.09 -0.34 0.00 0.00 178.44 179.28 2kmg h ARG 125 N 0.29 0.18 -0.01 1.25 2.43 -1.20 0.46 114.38 117.78 2kmg h ARG 125 Ca 0.09 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.10 2kmg h ARG 125 Cb 0.18 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2kmg h ARG 125 CO -0.01 0.12 -0.71 0.78 -1.51 0.00 0.00 179.97 178.64 2kmg h GLY 126 N 0.19 0.06 1.59 2.80 0.00 -1.53 -3.13 103.07 103.06 2kmg h GLY 126 Ca 0.72 -0.10 -0.15 0.00 0.00 0.00 0.00 47.33 47.80 2kmg h GLY 126 CO -0.32 0.08 -0.55 -2.75 0.00 0.00 0.00 176.54 173.00 2kmg h PHE 127 N 0.04 0.54 0.00 5.60 3.57 -0.11 -2.95 116.94 123.63 2kmg h PHE 127 Ca -0.01 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.30 2kmg h PHE 127 Cb 1.26 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2kmg h PHE 127 CO 0.01 0.89 0.00 0.00 -2.23 0.00 0.00 178.31 176.97 2kmg h ALA 128 N 1.07 1.00 0.00 2.41 0.00 -1.47 -3.12 119.26 119.16 2kmg h ALA 128 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2kmg h ALA 128 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2kmg h ALA 128 CO 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 179.25 179.04 2kmg h ALA 129 N 2.39 0.93 -0.51 0.00 0.00 -1.46 -2.99 119.26 117.62 2kmg h ALA 129 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kmg h ALA 129 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kmg h ALA 129 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2kmg n GLY 130 N 0.48 1.51 3.84 0.00 0.00 -1.18 -4.76 105.19 105.08 2kmg n GLY 130 Ca 0.01 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.33 3.38 0.57 1.61 3.76 -1.13 -4.96 115.29 117.20 2kmg s HIS 131 Ca 0.37 1.35 0.27 0.00 -0.15 0.00 0.00 55.06 56.90 2kmg s HIS 131 Cb 0.20 -2.66 1.64 0.00 1.11 0.00 0.00 32.58 32.87 2kmg s HIS 131 CO 0.26 -0.07 2.16 -1.35 -0.85 0.00 0.00 174.74 174.90 2kmg h PRO 132 N 1.82 0.00 -0.31 8.40 0.11 -1.92 -0.10 132.00 140.00 2kmg h PRO 132 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kmg h PRO 132 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kmg h PRO 132 CO 0.63 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.57 2kmg n GLU 133 N -3.98 2.95 -0.33 1.05 0.00 -1.26 -4.69 120.64 114.39 2kmg n GLU 133 Ca -0.00 -2.53 0.25 0.00 0.00 0.00 0.00 57.16 54.88 2kmg n GLU 133 Cb 0.21 -1.62 0.49 0.00 0.00 0.00 0.00 31.44 30.52 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kmg h ALA 134 N 1.97 1.91 -0.68 -1.84 0.00 -1.16 0.25 119.26 119.71 2kmg h ALA 134 Ca 0.00 0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.29 2kmg h ALA 134 Cb 1.16 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 19.12 2kmg h ALA 134 CO 0.14 -0.71 0.05 0.00 0.00 0.00 0.00 179.25 178.73 2kmg h ALA 135 N 1.91 0.74 -0.11 0.00 0.00 -1.84 0.66 119.26 120.63 2kmg h ALA 135 Ca 0.75 0.19 -0.16 0.00 0.00 0.00 0.00 54.91 55.69 2kmg h ALA 135 Cb 1.81 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 2kmg h ALA 135 CO -0.70 -0.38 -0.63 0.00 0.00 0.00 0.00 179.25 177.54 2kmg h ALA 136 N 1.60 0.72 0.14 0.00 0.00 -0.90 -3.06 119.26 117.76 2kmg h ALA 136 Ca 0.37 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2kmg h ALA 136 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kmg h ALA 136 CO -0.55 0.73 -0.07 0.82 0.00 0.00 0.00 179.25 180.18 2kmg h ILE 137 N 0.28 1.03 -0.41 0.00 2.04 -0.75 -1.58 117.51 118.12 2kmg h ILE 137 Ca -0.01 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 2kmg h ILE 137 Cb 1.16 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 2kmg h ILE 137 CO 0.11 0.19 0.01 0.10 0.00 0.00 0.00 178.15 178.56 2kmg h TYR 138 N -0.58 0.68 0.00 1.37 -0.00 -1.05 -1.88 116.97 115.51 2kmg h TYR 138 Ca -0.02 -0.08 -0.13 0.00 -0.00 0.00 0.00 58.73 58.50 2kmg h TYR 138 Cb 0.45 -0.19 -0.02 0.00 -0.00 0.00 0.00 36.73 36.97 2kmg h TYR 138 CO 0.05 0.64 -0.64 0.07 -0.00 0.00 0.00 178.16 178.28 2kmg h ARG 139 N 0.62 0.00 -0.28 0.10 0.11 -1.58 -1.01 114.38 112.34 2kmg h ARG 139 Ca 0.13 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.10 2kmg h ARG 139 Cb 0.37 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 2kmg h ARG 139 CO 0.01 0.64 -0.27 0.00 0.10 0.00 0.00 179.97 180.45 2kmg h ALA 140 N 1.36 1.02 0.00 0.08 0.00 -0.52 -2.80 119.26 118.41 2kmg h ALA 140 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kmg h ALA 140 Cb 1.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2kmg h ALA 140 CO 0.08 0.59 -0.69 -0.84 0.00 0.00 0.00 179.25 178.39 2kmg h ILE 141 N 0.48 0.00 -0.01 0.00 3.07 -1.27 -3.43 117.51 116.34 2kmg h ILE 141 Ca 0.07 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 65.97 2kmg h ILE 141 Cb 0.72 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 2kmg h ILE 141 CO 0.06 0.00 0.00 -0.67 -1.05 0.00 0.00 178.15 176.49