#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 4.83 0.00 7.83 2.47 -1.26 -4.90 114.94 123.91 2kmg s ASN 2 Ca 0.00 -0.77 0.00 0.00 0.42 0.00 0.00 52.86 52.51 2kmg s ASN 2 Cb 0.00 -1.80 0.00 0.00 -1.45 0.00 0.00 41.25 38.00 2kmg s ASN 2 CO 0.00 -0.17 0.86 1.07 -3.72 0.00 0.00 177.10 175.14 2kmg n THR 3 N 4.79 0.00 -2.63 -5.21 5.66 -1.26 -5.10 114.28 110.54 2kmg n THR 3 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 2kmg n THR 3 Cb 0.48 0.58 0.00 0.00 -1.55 0.00 0.00 70.33 69.84 2kmg n THR 3 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kmg n GLU 4 N 0.00 2.69 -0.94 1.09 1.02 -1.26 -5.12 120.64 118.12 2kmg n GLU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kmg n GLU 4 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.06 2kmg n GLU 4 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2kmg n GLU 5 N 0.00 -2.59 -4.82 3.49 2.13 -1.26 -5.01 120.64 112.58 2kmg n GLU 5 Ca 0.00 1.97 -0.26 0.00 0.66 0.00 0.00 57.16 59.52 2kmg n GLU 5 Cb 0.00 -2.33 -0.16 0.00 0.27 0.00 0.00 31.44 29.22 2kmg n GLU 5 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 2kmg s GLN 6 N -4.73 1.93 0.46 5.31 -2.07 -1.26 -4.97 119.66 114.33 2kmg s GLN 6 Ca 0.00 -0.59 0.31 0.00 -1.82 0.00 0.00 55.36 53.26 2kmg s GLN 6 Cb 0.00 -1.61 1.36 0.00 -1.09 0.00 0.00 33.01 31.68 2kmg s GLN 6 CO 0.00 0.17 1.93 -1.00 -1.32 0.00 0.00 175.29 175.07 2kmg h PRO 7 N 6.52 0.00 -5.73 9.60 0.13 -1.97 -3.42 132.00 137.13 2kmg h PRO 7 Ca -0.30 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.17 2kmg h PRO 7 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 2kmg h PRO 7 CO 0.48 0.00 -0.63 0.08 -0.23 0.00 0.00 178.00 177.70 2kmg s VAL 8 N -3.61 4.25 -0.08 1.56 1.01 -1.26 -5.04 120.40 117.23 2kmg s VAL 8 Ca 0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 2kmg s VAL 8 Cb 0.09 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.67 2kmg s VAL 8 CO 0.46 0.56 0.23 0.42 0.00 0.00 0.00 175.10 176.78 2kmg s THR 9 N -0.42 0.01 0.83 3.92 -4.23 -1.26 -4.90 115.64 109.59 2kmg s THR 9 Ca 0.08 -0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 60.48 2kmg s THR 9 Cb -0.12 -0.35 0.17 0.00 1.34 0.00 0.00 72.50 73.55 2kmg s THR 9 CO 0.02 -0.03 1.14 0.00 -0.54 0.00 0.00 174.62 175.21 2kmg s ALA 10 N -0.00 3.19 0.01 3.99 0.00 -1.26 -2.27 121.76 125.42 2kmg s ALA 10 Ca -0.01 -1.68 -0.17 0.00 0.00 0.00 0.00 51.96 50.09 2kmg s ALA 10 Cb -0.02 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 20.92 2kmg s ALA 10 CO 0.01 -1.93 0.38 0.45 0.00 0.00 0.00 175.76 174.67 2kmg s SER 11 N -4.86 -0.26 0.01 0.00 0.15 -0.99 -4.86 113.70 102.90 2kmg s SER 11 Ca 0.71 0.09 -0.23 0.00 0.70 0.00 0.00 55.95 57.21 2kmg s SER 11 Cb -0.03 0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 64.60 2kmg s SER 11 CO 0.48 -0.56 0.70 -0.22 1.20 0.00 0.00 173.24 174.85 2kmg s LEU 12 N -1.63 4.41 -0.03 3.45 1.98 -1.26 -0.22 118.68 125.38 2kmg s LEU 12 Ca -0.09 1.31 -0.03 0.00 -2.89 0.00 0.00 54.13 52.43 2kmg s LEU 12 Cb -0.03 -3.11 -0.04 0.00 0.66 0.00 0.00 46.19 43.68 2kmg s LEU 12 CO 0.02 0.01 0.13 -0.69 -1.89 0.00 0.00 176.35 173.93 2kmg s VAL 13 N 0.08 5.14 0.51 1.68 1.01 -1.18 -4.94 120.40 122.70 2kmg s VAL 13 Ca 0.36 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 2kmg s VAL 13 Cb -0.19 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 2kmg s VAL 13 CO 0.20 0.41 0.53 0.00 0.00 0.00 0.00 175.10 176.24 2kmg n ALA 14 N 1.30 -1.26 0.25 5.51 0.00 -1.26 -4.69 120.51 120.35 2kmg n ALA 14 Ca -0.14 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.48 2kmg n ALA 14 Cb 0.53 -1.81 0.57 0.00 0.00 0.00 0.00 19.45 18.74 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 0.49 0.00 -0.18 0.00 4.11 -1.99 0.22 114.58 117.22 2kmg h GLU 15 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2kmg h GLU 15 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2kmg h GLU 15 CO 0.49 0.12 0.00 0.00 0.07 0.00 0.00 179.01 179.69 2kmg n ALA 16 N -2.17 2.44 -0.00 1.06 0.00 -1.26 -4.30 120.51 116.27 2kmg n ALA 16 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.63 2kmg n ALA 16 Cb 0.37 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 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 1.30 0.26 0.20 0.00 1.13 -1.02 -4.56 117.38 114.69 2kmg n GLN 17 Ca 0.15 -0.01 0.14 0.00 -1.94 0.00 0.00 57.00 55.35 2kmg n GLN 17 Cb 0.56 -1.02 0.52 0.00 0.11 0.00 0.00 30.24 30.40 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 -1.15 0.45 114.38 112.71 2kmg h ARG 18 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2kmg h ARG 18 Cb 0.11 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.18 2kmg h ARG 18 CO 0.00 0.00 -0.07 1.37 0.10 0.00 0.00 179.97 181.37 2kmg h LEU 19 N 0.00 0.00 0.00 0.08 8.10 -1.80 -2.86 115.31 118.83 2kmg h LEU 19 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kmg h LEU 19 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.77 2kmg h LEU 19 CO 0.00 0.07 -0.83 -0.67 -4.11 0.00 0.00 178.44 172.90 2kmg n ASP 20 N -3.38 4.17 -0.18 0.17 2.03 -1.03 -4.66 116.55 113.67 2kmg n ASP 20 Ca -0.01 -0.08 -0.06 0.00 0.52 0.00 0.00 54.79 55.16 2kmg n ASP 20 Cb 0.23 0.99 0.11 0.00 -0.72 0.00 0.00 41.12 41.73 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 1.01 0.27 -0.67 3.57 -0.80 -0.52 116.94 119.80 2kmg h PHE 21 Ca 0.00 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2kmg h PHE 21 Cb 0.00 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.46 2kmg h PHE 21 CO 0.00 0.86 -0.13 1.25 -2.23 0.00 0.00 178.31 178.07 2kmg h LEU 22 N 0.91 -0.31 -0.66 0.59 7.12 -1.78 -2.43 115.31 118.76 2kmg h LEU 22 Ca 0.19 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.05 2kmg h LEU 22 Cb 0.40 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 2kmg h LEU 22 CO 0.01 -0.02 0.00 -0.81 -0.13 0.00 0.00 178.44 177.49 2kmg n PRO 23 N -5.14 0.22 0.08 5.25 -0.04 -1.19 0.10 135.00 134.27 2kmg n PRO 23 Ca -0.10 0.41 -0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2kmg n PRO 23 Cb 0.23 -1.89 -0.13 0.00 -0.04 0.00 0.00 33.50 31.68 2kmg n PRO 23 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2kmg h THR 24 N 0.00 1.59 0.00 0.52 2.02 -0.92 -0.24 112.91 115.87 2kmg h THR 24 Ca 0.00 -3.24 -0.17 0.00 0.77 0.00 0.00 66.41 63.77 2kmg h THR 24 Cb 0.42 2.88 -0.03 0.00 -1.74 0.00 0.00 68.15 69.67 2kmg h THR 24 CO 0.00 0.93 -1.81 -1.22 0.37 0.00 0.00 175.52 173.79 2kmg n TYR 25 N -3.42 0.00 -0.11 3.16 4.01 -0.93 -4.66 117.16 115.21 2kmg n TYR 25 Ca -0.05 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.48 2kmg n TYR 25 Cb 0.98 -0.54 -0.12 0.00 -0.31 0.00 0.00 39.34 39.35 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 -2.34 0.30 0.00 -0.72 7.35 0.12 -5.08 117.46 117.08 2kmg n PHE 26 Ca -0.16 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 2kmg n PHE 26 Cb 0.76 -1.04 0.00 0.00 0.35 0.00 0.00 39.48 39.56 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 1.95 4.74 0.31 7.13 0.00 -0.58 -4.69 105.19 114.05 2kmg n GLY 27 Ca -0.44 -0.85 0.18 0.00 0.00 0.00 0.00 46.02 44.91 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 0.03 1.61 0.13 -1.41 0.39 132.00 132.74 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 -2.38 -2.13 -0.23 0.00 0.00 178.00 173.26 2kmg n ARG 29 N -2.86 0.67 0.00 0.86 0.00 -1.26 -4.48 116.66 109.59 2kmg n ARG 29 Ca -0.02 0.17 -0.07 0.00 -0.00 0.00 0.00 57.85 57.93 2kmg n ARG 29 Cb 0.19 -1.56 0.12 0.00 0.00 0.00 0.00 32.46 31.20 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 0.02 0.57 -0.59 6.15 -0.00 -1.62 -3.27 115.31 116.56 2kmg h LEU 30 Ca -0.55 -0.25 0.24 0.00 -0.00 0.00 0.00 57.88 57.32 2kmg h LEU 30 Cb 1.93 -0.16 -0.09 0.00 -0.00 0.00 0.00 40.66 42.34 2kmg h LEU 30 CO -0.05 0.90 0.33 1.15 -0.00 0.00 0.00 178.44 180.78 2kmg n MET 31 N -4.03 -0.03 -0.11 1.13 0.00 0.05 0.18 117.12 114.30 2kmg n MET 31 Ca -0.02 0.74 -0.14 0.00 0.00 0.00 0.00 57.70 58.28 2kmg n MET 31 Cb 0.51 -1.35 -0.12 0.00 0.00 0.00 0.00 33.22 32.26 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 -4.13 0.72 0.06 3.17 0.00 -1.24 -3.46 117.12 112.24 2kmg n MET 32 Ca 0.21 0.09 0.10 0.00 0.00 0.00 0.00 57.70 58.10 2kmg n MET 32 Cb 0.73 -1.48 0.42 0.00 0.00 0.00 0.00 33.22 32.90 2kmg n MET 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2kmg n ARG 33 N -3.03 0.10 -0.11 3.17 5.12 0.17 -2.31 116.66 119.78 2kmg n ARG 33 Ca -0.38 0.29 -0.19 0.00 -1.93 0.00 0.00 57.85 55.64 2kmg n ARG 33 Cb 1.00 -1.68 -0.09 0.00 -1.16 0.00 0.00 32.46 30.54 2kmg n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kmg n GLY 34 N 0.25 -0.32 0.33 -0.13 0.00 0.46 -4.06 105.19 101.73 2kmg n GLY 34 Ca 0.03 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.39 0.81 0.00 1.61 4.11 -1.60 0.40 114.58 119.52 2kmg h GLU 35 Ca -0.51 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.87 2kmg h GLU 35 Cb 1.60 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2kmg h GLU 35 CO -0.21 0.54 0.00 0.00 0.07 0.00 0.00 179.01 179.41 2kmg h ALA 36 N 1.62 1.00 0.18 1.06 0.00 -1.69 -3.10 119.26 118.33 2kmg h ALA 36 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.81 2kmg h ALA 36 Cb -0.10 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2kmg h ALA 36 CO -0.05 0.00 -1.59 -0.07 0.00 0.00 0.00 179.25 177.55 2kmg h LEU 37 N 0.00 0.60 -1.21 0.00 3.38 -1.12 -2.52 115.31 114.44 2kmg h LEU 37 Ca 0.00 -0.92 -0.02 0.00 0.09 0.00 0.00 57.88 57.03 2kmg h LEU 37 Cb 0.65 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2kmg h LEU 37 CO 0.00 1.72 0.28 -0.37 0.09 0.00 0.00 178.44 180.17 2kmg h VAL 38 N -0.00 1.20 0.00 1.22 -1.51 -1.19 -1.39 116.25 114.57 2kmg h VAL 38 Ca -0.31 -0.55 -0.07 0.00 -1.23 0.00 0.00 66.70 64.54 2kmg h VAL 38 Cb 2.01 0.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 2kmg h VAL 38 CO 0.17 0.23 -0.47 0.10 -1.23 0.00 0.00 177.57 176.37 2kmg h TYR 39 N 0.83 0.00 -0.74 5.19 -0.00 -1.67 -3.14 116.97 117.44 2kmg h TYR 39 Ca 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.90 2kmg h TYR 39 Cb 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.79 2kmg h TYR 39 CO 0.01 0.30 0.30 0.00 -0.00 0.00 0.00 178.16 178.77 2kmg h ALA 40 N 1.70 1.13 0.05 0.10 0.00 -0.79 -1.54 119.26 119.91 2kmg h ALA 40 Ca -0.02 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 2kmg h ALA 40 Cb 1.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2kmg h ALA 40 CO 0.04 0.63 -1.06 -1.49 0.00 0.00 0.00 179.25 177.36 2kmg h TRP 41 N 1.07 0.30 -0.48 0.00 4.06 -1.54 -3.22 115.95 116.13 2kmg h TRP 41 Ca 0.25 -0.20 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 2kmg h TRP 41 Cb 0.20 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 2kmg h TRP 41 CO 0.02 1.11 0.17 1.98 -3.56 0.00 0.00 178.44 178.16 2kmg h MET 42 N 0.07 0.73 0.00 0.49 4.05 -1.43 -2.20 114.93 116.64 2kmg h MET 42 Ca -0.07 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 2kmg h MET 42 Cb 1.77 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.45 2kmg h MET 42 CO 0.16 0.68 0.00 0.07 0.23 0.00 0.00 176.91 178.05 2kmg h ARG 43 N 0.64 0.00 0.00 0.39 0.11 -1.37 -2.04 114.38 112.10 2kmg h ARG 43 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 2kmg h ARG 43 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 2kmg h ARG 43 CO -0.01 0.00 -0.16 0.00 0.10 0.00 0.00 179.97 179.90 2kmg h ARG 44 N 0.00 0.00 0.00 0.08 3.08 -1.41 -3.24 114.38 112.88 2kmg h ARG 44 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2kmg h ARG 44 Cb 0.40 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2kmg h ARG 44 CO 0.00 0.00 -0.67 -0.07 -1.07 0.00 0.00 179.97 178.16 2kmg h LEU 45 N 0.00 0.00 -8.83 3.04 3.38 -1.10 -3.41 115.31 108.39 2kmg h LEU 45 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2kmg h LEU 45 Cb 0.99 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.54 2kmg h LEU 45 CO 0.00 0.60 -0.82 0.00 0.09 0.00 0.00 178.44 178.31 2kmg h GLU 47 N 3.59 0.00 -0.07 0.00 4.11 -1.89 -3.35 114.58 116.98 2kmg h GLU 47 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2kmg h GLU 47 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kmg h GLU 47 CO 0.45 0.00 0.00 2.89 0.07 0.00 0.00 179.01 182.42 2kmg n ARG 48 N -2.58 2.63 -1.93 1.06 1.85 -1.26 -4.97 116.66 111.46 2kmg n ARG 48 Ca 0.01 -1.89 -0.28 0.00 -1.00 0.00 0.00 57.85 54.68 2kmg n ARG 48 Cb 0.53 -1.20 -0.05 0.00 -1.05 0.00 0.00 32.46 30.69 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 -1.49 1.60 0.11 2.89 6.14 -1.26 -4.76 117.35 120.58 2kmg s TYR 49 Ca 0.13 0.96 0.20 0.00 0.64 0.00 0.00 57.07 59.01 2kmg s TYR 49 Cb 0.10 -3.92 0.69 0.00 0.42 0.00 0.00 41.96 39.25 2kmg s TYR 49 CO 0.04 -1.91 1.73 -0.91 0.64 0.00 0.00 175.55 175.14 2kmg h ASN 50 N 13.04 0.00 0.00 4.32 -0.26 -1.95 -3.44 115.58 127.29 2kmg h ASN 50 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 2kmg h ASN 50 Cb 1.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.32 2kmg h ASN 50 CO 1.17 0.33 0.00 0.61 -1.06 0.00 0.00 177.43 178.49 2kmg n GLY 51 N 0.33 2.72 0.00 2.83 0.00 -1.26 -5.11 105.19 104.69 2kmg n GLY 51 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 1.63 0.00 -2.91 4.61 0.00 -1.26 -5.07 120.51 117.51 2kmg n ALA 52 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 2kmg n ALA 52 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.80 2.96 -1.30 0.00 2.02 -1.26 -4.78 117.35 115.78 2kmg s TYR 53 Ca 0.00 -0.67 -0.17 0.00 -0.37 0.00 0.00 57.07 55.85 2kmg s TYR 53 Cb 0.00 -3.87 0.08 0.00 -0.40 0.00 0.00 41.96 37.77 2kmg s TYR 53 CO 0.00 -1.24 1.75 0.91 -1.57 0.00 0.00 175.55 175.40 2kmg n TRP 54 N 6.53 4.61 -1.61 2.71 8.01 -1.25 -0.87 117.44 135.57 2kmg n TRP 54 Ca -0.07 -2.89 -0.48 0.00 -1.31 0.00 0.00 57.50 52.76 2kmg n TRP 54 Cb 0.44 -2.60 -0.04 0.00 -2.01 0.00 0.00 31.31 27.11 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 8.02 1.56 -2.63 -5.99 8.25 -0.05 -4.38 115.22 119.99 2kmg n HIS 55 Ca 0.48 0.60 -0.41 0.00 -0.26 0.00 0.00 57.72 58.13 2kmg n HIS 55 Cb 0.45 -2.33 -0.04 0.00 1.12 0.00 0.00 29.99 29.19 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 -0.16 3.67 0.06 4.41 2.02 -1.26 -2.28 117.35 123.81 2kmg s TYR 56 Ca 0.71 1.66 0.09 0.00 -0.37 0.00 0.00 57.07 59.16 2kmg s TYR 56 Cb -0.79 -3.17 -0.03 0.00 -0.40 0.00 0.00 41.96 37.57 2kmg s TYR 56 CO 0.51 -0.25 -0.25 0.71 -1.57 0.00 0.00 175.55 174.71 2kmg s TYR 57 N 0.37 2.17 -0.55 2.71 2.02 -0.13 -3.13 117.35 120.80 2kmg s TYR 57 Ca 0.51 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.75 2kmg s TYR 57 Cb -0.25 -1.27 0.14 0.00 -0.40 0.00 0.00 41.96 40.18 2kmg s TYR 57 CO 0.30 0.16 0.39 0.00 -1.57 0.00 0.00 175.55 174.83 2kmg s ALA 58 N -0.86 3.48 0.57 3.71 0.00 0.69 -2.63 121.76 126.71 2kmg s ALA 58 Ca 0.11 -2.90 -0.18 0.00 0.00 0.00 0.00 51.96 48.99 2kmg s ALA 58 Cb -0.10 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 2kmg s ALA 58 CO 0.03 -1.99 1.12 -0.51 0.00 0.00 0.00 175.76 174.40 2kmg s LEU 59 N 0.64 3.66 0.39 0.00 1.43 -1.26 -2.34 118.68 121.19 2kmg s LEU 59 Ca 0.12 2.11 0.15 0.00 -1.03 0.00 0.00 54.13 55.48 2kmg s LEU 59 Cb -0.21 -4.57 0.79 0.00 0.03 0.00 0.00 46.19 42.23 2kmg s LEU 59 CO -0.03 -1.29 1.85 0.77 0.23 0.00 0.00 176.35 177.87 2kmg h SER 60 N 0.92 0.00 1.23 2.29 4.64 -1.82 -2.26 113.55 118.55 2kmg h SER 60 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2kmg h SER 60 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2kmg h SER 60 CO 0.56 0.34 0.00 0.44 -0.87 0.00 0.00 176.83 177.31 2kmg h ASP 61 N 0.00 0.00 0.00 4.97 3.32 -1.90 -3.47 116.42 119.34 2kmg h ASP 61 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kmg h ASP 61 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2kmg h ASP 61 CO 0.04 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 2kmg n GLY 62 N 0.26 0.86 0.13 2.75 0.00 -0.85 -4.98 105.19 103.37 2kmg n GLY 62 Ca 0.01 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.22 -0.61 1.57 -0.02 0.00 -1.26 -4.84 105.19 97.81 2kmg n GLY 63 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2kmg n GLY 63 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kmg n PHE 64 N -3.68 -3.89 -4.17 1.61 3.01 -1.26 -4.88 117.46 104.19 2kmg n PHE 64 Ca -0.32 2.13 -0.11 0.00 1.01 0.00 0.00 57.45 60.17 2kmg n PHE 64 Cb 0.97 -3.29 -0.10 0.00 -0.01 0.00 0.00 39.48 37.06 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 2kmg s TYR 65 N -1.35 0.91 -0.10 1.38 1.13 -1.08 -4.93 117.35 113.31 2kmg s TYR 65 Ca 0.00 -0.98 0.01 0.00 -1.41 0.00 0.00 57.07 54.70 2kmg s TYR 65 Cb 0.00 -0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 40.31 2kmg s TYR 65 CO 0.00 -0.22 -0.14 -1.64 -2.51 0.00 0.00 175.55 171.04 2kmg s MET 66 N -3.88 3.02 -0.07 -3.49 -1.94 -1.26 -0.96 119.30 110.72 2kmg s MET 66 Ca 0.15 -0.69 0.03 0.00 -1.71 0.00 0.00 55.69 53.46 2kmg s MET 66 Cb 0.06 -2.52 0.01 0.00 2.01 0.00 0.00 34.83 34.39 2kmg s MET 66 CO -0.03 0.38 -0.14 0.00 -0.01 0.00 0.00 175.02 175.22 2kmg s ALA 67 N -0.10 1.42 0.77 3.03 0.00 -0.97 -4.57 121.76 121.35 2kmg s ALA 67 Ca -0.02 -0.53 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 2kmg s ALA 67 Cb -0.14 -0.59 0.06 0.00 0.00 0.00 0.00 23.12 22.45 2kmg s ALA 67 CO 0.04 0.16 1.18 -1.25 0.00 0.00 0.00 175.76 175.89 2kmg s PRO 68 N 0.54 1.95 -0.87 0.00 0.04 -1.23 -0.88 135.00 134.56 2kmg s PRO 68 Ca -0.14 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 2kmg s PRO 68 Cb -0.16 -1.82 0.23 0.00 0.04 0.00 0.00 34.50 32.79 2kmg s PRO 68 CO 0.04 -1.96 0.80 0.34 0.04 0.00 0.00 177.00 176.27 2kmg s ASP 69 N -2.28 6.68 -0.10 6.66 2.15 -0.05 -4.46 116.67 125.28 2kmg s ASP 69 Ca 0.72 -2.94 -0.04 0.00 0.43 0.00 0.00 52.55 50.72 2kmg s ASP 69 Cb -0.27 -2.16 0.05 0.00 -0.30 0.00 0.00 42.92 40.25 2kmg s ASP 69 CO 0.48 -0.48 0.17 -0.76 -0.17 0.00 0.00 175.17 174.41 2kmg s LEU 70 N -0.22 -0.08 -0.35 -1.34 1.43 -1.26 -4.53 118.68 112.33 2kmg s LEU 70 Ca 0.21 0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.45 2kmg s LEU 70 Cb -0.11 0.28 -0.00 0.00 0.03 0.00 0.00 46.19 46.39 2kmg s LEU 70 CO -0.08 -0.25 0.24 0.00 0.23 0.00 0.00 176.35 176.48 2kmg s ALA 71 N 2.30 3.45 0.00 4.21 0.00 -1.26 -3.42 121.76 127.04 2kmg s ALA 71 Ca 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.51 2kmg s ALA 71 Cb -0.12 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2kmg s ALA 71 CO -0.06 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.00 2kmg n GLY 72 N 5.09 0.81 3.37 0.00 0.00 -1.26 -5.03 105.19 108.17 2kmg n GLY 72 Ca -0.12 -1.78 -0.45 0.00 0.00 0.00 0.00 46.02 43.67 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 2.97 -0.65 1.61 3.00 -1.26 -4.38 118.95 118.24 2kmg s ARG 73 Ca 0.00 -1.43 -0.20 0.00 0.00 0.00 0.00 55.73 54.10 2kmg s ARG 73 Cb 0.00 -4.15 0.10 0.00 0.00 0.00 0.00 34.95 30.89 2kmg s ARG 73 CO 0.00 -1.09 0.84 -0.51 0.00 0.00 0.00 175.30 174.54 2kmg s LEU 74 N 1.62 5.03 -0.76 2.53 1.43 -0.83 -4.91 118.68 122.79 2kmg s LEU 74 Ca 0.04 -1.35 -0.26 0.00 -1.03 0.00 0.00 54.13 51.53 2kmg s LEU 74 Cb -0.25 -2.35 -0.07 0.00 0.03 0.00 0.00 46.19 43.55 2kmg s LEU 74 CO 0.06 -1.22 2.11 -0.70 0.23 0.00 0.00 176.35 176.83 2kmg s GLU 75 N 3.14 2.26 0.18 1.70 2.12 -1.26 -1.97 118.70 124.86 2kmg s GLU 75 Ca 0.17 0.34 -0.00 0.00 0.36 0.00 0.00 54.97 55.84 2kmg s GLU 75 Cb -0.20 -4.78 -0.04 0.00 0.26 0.00 0.00 34.13 29.37 2kmg s GLU 75 CO 0.06 -3.51 0.36 0.42 -0.54 0.00 0.00 175.26 172.05 2kmg s ILE 76 N 11.39 5.23 -0.42 -3.70 -1.09 -0.76 -4.92 121.20 126.94 2kmg s ILE 76 Ca 0.79 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.82 2kmg s ILE 76 Cb -0.11 -3.73 0.13 0.00 -1.58 0.00 0.00 42.46 37.17 2kmg s ILE 76 CO 0.10 -0.14 0.21 -1.83 -1.23 0.00 0.00 174.94 172.05 2kmg s GLU 77 N -3.25 1.19 -0.67 2.79 -1.05 0.20 -0.77 118.70 117.13 2kmg s GLU 77 Ca 0.38 -1.86 -0.26 0.00 -0.15 0.00 0.00 54.97 53.08 2kmg s GLU 77 Cb -0.11 -2.27 -0.02 0.00 -0.44 0.00 0.00 34.13 31.29 2kmg s GLU 77 CO 0.29 -1.14 1.81 0.08 0.95 0.00 0.00 175.26 177.25 2kmg s VAL 78 N 0.56 3.41 0.19 1.83 1.01 -0.17 -4.39 120.40 122.84 2kmg s VAL 78 Ca 0.16 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 2kmg s VAL 78 Cb -0.24 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 2kmg s VAL 78 CO -0.03 -1.03 1.55 0.78 0.00 0.00 0.00 175.10 176.37 2kmg h ASN 79 N 13.96 0.72 -0.72 3.32 2.35 -1.84 0.93 115.58 134.29 2kmg h ASN 79 Ca -0.21 -0.33 0.21 0.00 -0.55 0.00 0.00 56.30 55.42 2kmg h ASN 79 Cb 1.13 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.27 2kmg h ASN 79 CO 1.23 1.05 0.96 1.23 -1.65 0.00 0.00 177.43 180.24 2kmg h GLY 80 N 0.97 0.00 0.00 2.83 0.00 -1.91 -1.00 103.07 103.97 2kmg h GLY 80 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2kmg h GLY 80 CO 0.09 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.79 2kmg n ASN 81 N -3.26 0.00 -1.04 0.19 0.23 -1.15 -5.00 115.26 105.23 2kmg n ASN 81 Ca 0.16 -1.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.07 2kmg n ASN 81 Cb 1.19 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.84 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 1.40 3.47 4.83 0.00 0.29 -4.94 105.19 110.24 2kmg n GLY 82 Ca 0.00 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.41 2.61 -0.56 1.61 5.36 0.75 -4.86 117.98 120.48 2kmg s PHE 83 Ca 0.00 -0.46 -0.26 0.00 -0.96 0.00 0.00 56.93 55.24 2kmg s PHE 83 Cb 0.00 -4.34 0.03 0.00 -0.34 0.00 0.00 43.02 38.37 2kmg s PHE 83 CO 0.00 -1.71 1.08 0.50 -1.46 0.00 0.00 175.22 173.62 2kmg s ARG 84 N 4.33 3.44 -0.01 10.12 3.52 -1.26 -1.00 118.95 138.09 2kmg s ARG 84 Ca 0.24 0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.88 2kmg s ARG 84 Cb -0.15 -4.03 0.00 0.00 -1.56 0.00 0.00 34.95 29.21 2kmg s ARG 84 CO 0.11 -1.59 -0.02 0.20 -0.81 0.00 0.00 175.30 173.20 2kmg s GLY 85 N 2.89 0.14 -0.28 8.12 0.00 0.05 -4.97 107.32 113.27 2kmg s GLY 85 Ca 0.37 -0.04 -0.20 0.00 0.00 0.00 0.00 44.72 44.85 2kmg s GLY 85 CO 0.23 0.08 0.64 -0.54 0.00 0.00 0.00 173.10 173.50 2kmg s GLU 86 N 0.19 4.02 0.18 2.90 2.02 -1.26 -1.82 118.70 124.93 2kmg s GLU 86 Ca -0.02 0.46 -0.00 0.00 0.02 0.00 0.00 54.97 55.43 2kmg s GLU 86 Cb -0.04 -3.68 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 2kmg s GLU 86 CO -0.01 -0.49 0.08 -1.17 0.02 0.00 0.00 175.26 173.70 2kmg s LEU 87 N 2.57 1.57 0.00 1.80 2.96 -0.83 -4.84 118.68 121.90 2kmg s LEU 87 Ca 0.26 -1.29 0.00 0.00 -0.22 0.00 0.00 54.13 52.88 2kmg s LEU 87 Cb -0.15 0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.79 2kmg s LEU 87 CO 0.10 -0.75 0.00 -1.20 -1.32 0.00 0.00 176.35 173.18 2kmg n SER 88 N -0.22 -0.40 0.08 3.68 7.64 -1.26 -1.97 113.62 121.17 2kmg n SER 88 Ca -0.02 -0.69 0.09 0.00 1.01 0.00 0.00 58.87 59.25 2kmg n SER 88 Cb 0.65 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.82 2kmg n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kmg n ALA 89 N -3.00 2.39 -0.06 -0.43 0.00 -1.22 -3.47 120.51 114.73 2kmg n ALA 89 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 53.44 53.07 2kmg n ALA 89 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 2kmg n ALA 89 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kmg h ASP 90 N 0.00 0.00 0.37 0.00 3.58 -1.86 -1.84 116.42 116.66 2kmg h ASP 90 Ca -0.04 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2kmg h ASP 90 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2kmg h ASP 90 CO 0.01 0.64 0.00 0.00 -2.88 0.00 0.00 179.24 177.01 2kmg n ALA 91 N -2.84 1.43 -0.09 -0.78 0.00 -1.26 -2.14 120.51 114.82 2kmg n ALA 91 Ca -0.03 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 2kmg n ALA 91 Cb 0.13 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.59 1.44 0.31 0.00 0.00 -1.23 -4.19 120.51 115.26 2kmg n ALA 92 Ca 0.02 -1.16 0.18 0.00 0.00 0.00 0.00 53.44 52.47 2kmg n ALA 92 Cb 0.12 -0.26 0.98 0.00 0.00 0.00 0.00 19.45 20.30 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 3.16 0.00 1.04 0.00 0.00 -0.80 -1.72 103.07 104.75 2kmg h GLY 93 Ca -0.52 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 2kmg h GLY 93 CO 0.00 0.00 0.13 -2.22 0.00 0.00 0.00 176.54 174.45 2kmg h ILE 94 N 0.00 1.26 0.00 2.60 1.08 -1.70 -2.44 117.51 118.30 2kmg h ILE 94 Ca -0.00 -0.97 -0.16 0.00 -0.39 0.00 0.00 64.86 63.34 2kmg h ILE 94 Cb 0.11 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 2kmg h ILE 94 CO 0.00 0.36 -0.74 0.58 -0.69 0.00 0.00 178.15 177.67 2kmg h VAL 95 N 0.94 1.38 -0.05 1.67 2.07 -1.54 -2.46 116.25 118.26 2kmg h VAL 95 Ca 0.19 -2.66 -0.02 0.00 0.82 0.00 0.00 66.70 65.03 2kmg h VAL 95 Cb 0.40 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2kmg h VAL 95 CO 0.01 0.72 -0.04 0.00 0.02 0.00 0.00 177.57 178.28 2kmg h ALA 96 N 1.26 0.07 0.08 1.67 0.00 -1.24 -3.10 119.26 118.00 2kmg h ALA 96 Ca -0.01 -0.25 -0.29 0.00 0.00 0.00 0.00 54.91 54.37 2kmg h ALA 96 Cb 1.44 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.24 2kmg h ALA 96 CO 0.10 -0.16 -1.16 0.00 0.00 0.00 0.00 179.25 178.02 2kmg h THR 97 N -0.30 1.29 -0.17 0.00 1.03 -1.55 -3.29 112.91 109.91 2kmg h THR 97 Ca 0.01 -2.38 0.05 0.00 -0.01 0.00 0.00 66.41 64.08 2kmg h THR 97 Cb 0.51 2.60 -0.07 0.00 -1.07 0.00 0.00 68.15 70.12 2kmg h THR 97 CO 0.01 0.73 -0.36 0.25 -0.01 0.00 0.00 175.52 176.14 2kmg h LEU 98 N 0.30 -1.12 -2.07 0.00 5.85 -1.54 -0.16 115.31 116.57 2kmg h LEU 98 Ca -0.17 0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.79 2kmg h LEU 98 Cb 1.83 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 43.33 2kmg h LEU 98 CO 0.23 -0.38 0.21 -0.26 -0.34 0.00 0.00 178.44 177.89 2kmg h PHE 99 N -0.41 0.00 -0.48 1.25 -1.00 -1.67 -1.59 116.94 113.04 2kmg h PHE 99 Ca 0.10 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.82 2kmg h PHE 99 Cb 0.57 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.11 2kmg h PHE 99 CO -0.45 0.00 0.09 0.00 -1.61 0.00 0.00 178.31 176.33 2kmg h ALA 100 N 1.83 0.64 -0.82 2.45 0.00 -1.10 -2.88 119.26 119.39 2kmg h ALA 100 Ca 0.12 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2kmg h ALA 100 Cb 0.54 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2kmg h ALA 100 CO -0.00 0.36 0.54 -0.07 0.00 0.00 0.00 179.25 180.08 2kmg h LEU 101 N 0.67 0.92 -1.80 0.00 3.38 -0.93 -1.74 115.31 115.81 2kmg h LEU 101 Ca 0.15 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2kmg h LEU 101 Cb 0.38 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2kmg h LEU 101 CO 0.01 0.66 -0.15 1.23 0.09 0.00 0.00 178.44 180.27 2kmg h GLY 102 N 1.08 0.00 0.59 0.83 0.00 -1.43 -2.34 103.07 101.80 2kmg h GLY 102 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.48 2kmg h GLY 102 CO -0.08 0.00 -0.72 -1.61 0.00 0.00 0.00 176.54 174.13 2kmg h GLN 103 N 0.00 0.26 -0.43 4.80 4.15 -1.15 -3.24 115.11 119.50 2kmg h GLN 103 Ca -0.00 -0.44 0.02 0.00 0.77 0.00 0.00 58.65 59.00 2kmg h GLN 103 Cb 0.36 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 2kmg h GLN 103 CO 0.02 1.21 0.26 -0.07 -1.93 0.00 0.00 178.83 178.32 2kmg h LEU 104 N -0.46 0.43 -1.50 -2.39 3.38 -1.20 0.53 115.31 114.10 2kmg h LEU 104 Ca -0.13 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2kmg h LEU 104 Cb 1.56 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 2kmg h LEU 104 CO 0.13 0.31 0.43 0.00 0.09 0.00 0.00 178.44 179.39 2kmg h ALA 105 N 1.19 1.82 -0.01 1.53 0.00 -1.56 -0.70 119.26 121.53 2kmg h ALA 105 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kmg h ALA 105 Cb -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kmg h ALA 105 CO -0.07 0.06 -0.51 0.00 0.00 0.00 0.00 179.25 178.73 2kmg n ALA 106 N -2.48 3.64 0.02 0.00 0.00 -0.85 -4.21 120.51 116.63 2kmg n ALA 106 Ca 0.10 -0.55 -0.14 0.00 0.00 0.00 0.00 53.44 52.84 2kmg n ALA 106 Cb 0.27 -0.91 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 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 1.49 0.15 0.00 0.00 4.81 0.15 -3.31 114.58 117.87 2kmg h GLU 107 Ca 0.00 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2kmg h GLU 107 Cb 0.62 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2kmg h GLU 107 CO 0.00 0.91 0.00 0.44 -0.73 0.00 0.00 179.01 179.63 2kmg n ILE 108 N -3.31 1.13 0.00 2.32 -5.35 -0.69 -4.87 119.36 108.60 2kmg n ILE 108 Ca -0.19 0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.66 2kmg n ILE 108 Cb 1.04 -1.27 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 2kmg n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kmg n ALA 109 N -1.64 0.00 -1.49 -1.28 0.00 -1.25 -4.89 120.51 109.97 2kmg n ALA 109 Ca 0.02 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.96 2kmg n ALA 109 Cb 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.55 2kmg n ALA 109 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kmg n ASP 110 N 2.00 0.05 -0.70 0.00 5.68 -1.26 -4.84 116.55 117.47 2kmg n ASP 110 Ca 0.00 1.15 0.06 0.00 -0.50 0.00 0.00 54.79 55.50 2kmg n ASP 110 Cb 0.00 -1.08 0.18 0.00 -1.14 0.00 0.00 41.12 39.08 2kmg n ASP 110 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2kmg n THR 111 N 0.61 0.50 0.17 2.12 -2.24 -1.26 -3.65 114.28 110.53 2kmg n THR 111 Ca 0.16 -0.51 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 2kmg n THR 111 Cb 0.24 0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 2kmg n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kmg h ASP 112 N 2.25 -0.42 -0.49 3.42 5.19 -1.98 -3.35 116.42 121.04 2kmg h ASP 112 Ca 0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2kmg h ASP 112 Cb 0.51 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.13 2kmg h ASP 112 CO 0.00 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 2kmg n ALA 113 N -2.67 2.33 0.75 3.45 0.00 -1.26 -4.40 120.51 118.71 2kmg n ALA 113 Ca -0.08 -1.14 0.07 0.00 0.00 0.00 0.00 53.44 52.30 2kmg n ALA 113 Cb 0.25 -0.73 0.39 0.00 0.00 0.00 0.00 19.45 19.35 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 1.22 1.88 -0.03 0.00 0.00 -1.24 -2.10 120.51 120.24 2kmg n ALA 114 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2kmg n ALA 114 Cb 0.54 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.24 0.42 -0.08 0.00 8.00 -1.26 -4.58 116.55 117.81 2kmg n ASP 115 Ca 0.08 -0.71 -0.11 0.00 0.71 0.00 0.00 54.79 54.76 2kmg n ASP 115 Cb 0.11 0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 41.66 2kmg n ASP 115 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmg h ALA 116 N 0.00 0.08 0.00 2.24 0.00 -1.68 -3.33 119.26 116.56 2kmg h ALA 116 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2kmg h ALA 116 Cb 0.01 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2kmg h ALA 116 CO 0.00 0.34 0.00 1.37 0.00 0.00 0.00 179.25 180.96 2kmg h LEU 117 N -1.00 0.00 -1.71 0.00 -0.00 -1.85 -1.05 115.31 109.70 2kmg h LEU 117 Ca -0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.74 2kmg h LEU 117 Cb 0.75 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.41 2kmg h LEU 117 CO -0.06 0.00 -0.15 0.40 -0.00 0.00 0.00 178.44 178.63 2kmg h ILE 118 N 0.00 1.08 -0.72 0.15 1.08 -1.81 -2.61 117.51 114.68 2kmg h ILE 118 Ca 0.00 -0.52 0.15 0.00 -0.39 0.00 0.00 64.86 64.10 2kmg h ILE 118 Cb 0.13 1.28 -0.10 0.00 -3.07 0.00 0.00 36.82 35.06 2kmg h ILE 118 CO 0.00 0.15 0.21 0.44 -0.69 0.00 0.00 178.15 178.26 2kmg h ASP 119 N 0.00 0.10 -0.97 1.72 3.32 -1.34 0.63 116.42 119.88 2kmg h ASP 119 Ca -0.00 0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.23 2kmg h ASP 119 Cb 0.27 0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 2kmg h ASP 119 CO 0.02 0.01 0.63 0.03 -1.72 0.00 0.00 179.24 178.21 2kmg h ARG 120 N 0.32 1.12 -0.08 3.56 -0.00 -1.66 -1.16 114.38 116.48 2kmg h ARG 120 Ca 0.40 -0.07 0.02 0.00 -0.50 0.00 0.00 59.98 59.84 2kmg h ARG 120 Cb 0.65 -0.25 -0.02 0.00 0.00 0.00 0.00 29.97 30.35 2kmg h ARG 120 CO -0.46 0.74 -0.05 -0.92 0.00 0.00 0.00 179.97 179.28 2kmg h TYR 121 N 1.15 -0.11 -0.11 3.04 5.03 -0.98 -0.29 116.97 124.69 2kmg h TYR 121 Ca 0.41 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.69 2kmg h TYR 121 Cb 0.13 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 2kmg h TYR 121 CO -0.00 -0.08 -0.09 0.45 -1.32 0.00 0.00 178.16 177.12 2kmg h HIS 122 N -0.05 0.17 0.49 -3.82 3.86 -1.09 0.20 115.15 114.92 2kmg h HIS 122 Ca 0.05 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2kmg h HIS 122 Cb 0.12 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2kmg h HIS 122 CO -0.16 0.27 -0.23 0.74 0.86 0.00 0.00 177.93 179.41 2kmg h PHE 123 N 0.17 -0.61 -0.77 2.45 0.04 -0.32 -3.19 116.94 114.71 2kmg h PHE 123 Ca 0.04 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2kmg h PHE 123 Cb 0.28 0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.59 2kmg h PHE 123 CO 0.00 -0.28 0.42 1.25 -0.60 0.00 0.00 178.31 179.10 2kmg h LEU 124 N -0.96 0.95 -1.52 1.54 5.85 -0.97 -2.13 115.31 118.08 2kmg h LEU 124 Ca -0.07 -0.10 0.45 0.00 0.84 0.00 0.00 57.88 59.01 2kmg h LEU 124 Cb 0.60 -0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.27 2kmg h LEU 124 CO 0.11 0.77 0.93 -0.09 -0.34 0.00 0.00 178.44 179.83 2kmg h ARG 125 N 1.06 0.07 -0.81 1.25 9.65 -0.96 0.60 114.38 125.24 2kmg h ARG 125 Ca 0.27 -0.00 0.14 0.00 -1.10 0.00 0.00 59.98 59.28 2kmg h ARG 125 Cb 0.03 -0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 28.50 2kmg h ARG 125 CO -0.04 0.04 0.40 0.78 2.80 0.00 0.00 179.97 183.95 2kmg h GLY 126 N 0.07 1.28 0.79 2.80 0.00 -1.37 0.67 103.07 107.31 2kmg h GLY 126 Ca 0.83 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.98 2kmg h GLY 126 CO -0.34 -0.03 0.60 -2.75 0.00 0.00 0.00 176.54 174.02 2kmg h PHE 127 N 0.59 1.12 -0.12 5.60 3.57 0.04 0.28 116.94 128.02 2kmg h PHE 127 Ca 0.43 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.95 2kmg h PHE 127 Cb 0.60 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2kmg h PHE 127 CO -0.11 0.60 0.02 0.00 -2.23 0.00 0.00 178.31 176.60 2kmg n ALA 128 N -2.36 2.82 -0.25 2.41 0.00 0.16 -2.92 120.51 120.38 2kmg n ALA 128 Ca 0.13 -0.39 0.02 0.00 0.00 0.00 0.00 53.44 53.20 2kmg n ALA 128 Cb 0.14 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 18.58 2kmg n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg n ALA 129 N 0.13 2.01 -1.81 0.00 0.00 0.97 -4.69 120.51 117.12 2kmg n ALA 129 Ca 0.06 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.22 2kmg n ALA 129 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2kmg n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kmg n GLY 130 N -0.65 0.88 3.78 0.00 0.00 -1.17 -5.05 105.19 102.98 2kmg n GLY 130 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2kmg n GLY 130 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kmg s HIS 131 N 0.00 2.68 -0.49 1.61 -3.43 -1.15 -4.72 115.29 109.78 2kmg s HIS 131 Ca 0.00 1.22 0.26 0.00 -0.80 0.00 0.00 55.06 55.74 2kmg s HIS 131 Cb 0.00 -3.95 0.90 0.00 -1.43 0.00 0.00 32.58 28.10 2kmg s HIS 131 CO 0.00 -2.76 1.76 -1.00 -2.00 0.00 0.00 174.74 170.74 2kmg h PRO 132 N 3.06 0.00 -0.26 -0.38 0.13 -2.01 -2.45 132.00 130.09 2kmg h PRO 132 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kmg h PRO 132 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kmg h PRO 132 CO 0.64 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.80 2kmg n GLU 133 N -2.45 2.85 -0.22 0.86 -0.58 -1.26 -4.76 120.64 115.08 2kmg n GLU 133 Ca 0.03 -2.63 0.08 0.00 -0.42 0.00 0.00 57.16 54.22 2kmg n GLU 133 Cb 0.34 -1.69 0.17 0.00 -0.57 0.00 0.00 31.44 29.69 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kmg n ALA 134 N -0.32 0.29 -0.25 0.62 0.00 -0.92 0.65 120.51 120.57 2kmg n ALA 134 Ca 0.19 0.68 -0.00 0.00 0.00 0.00 0.00 53.44 54.30 2kmg n ALA 134 Cb 0.77 -0.48 0.07 0.00 0.00 0.00 0.00 19.45 19.81 2kmg n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg h ALA 135 N 1.26 0.35 -0.16 0.00 0.00 -1.86 0.20 119.26 119.05 2kmg h ALA 135 Ca 0.37 0.26 -0.19 0.00 0.00 0.00 0.00 54.91 55.34 2kmg h ALA 135 Cb 0.72 0.63 0.01 0.00 0.00 0.00 0.00 17.79 19.15 2kmg h ALA 135 CO -0.60 -0.48 -0.66 0.00 0.00 0.00 0.00 179.25 177.51 2kmg h ALA 136 N 1.55 0.29 0.01 0.00 0.00 -0.18 -3.15 119.26 117.79 2kmg h ALA 136 Ca 0.33 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kmg h ALA 136 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kmg h ALA 136 CO -0.75 0.58 -0.01 0.82 0.00 0.00 0.00 179.25 179.90 2kmg h ILE 137 N 0.43 1.25 -0.62 0.00 2.04 -0.93 -2.17 117.51 117.51 2kmg h ILE 137 Ca -0.04 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 64.95 2kmg h ILE 137 Cb 1.29 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 39.14 2kmg h ILE 137 CO 0.14 0.21 0.13 0.10 0.00 0.00 0.00 178.15 178.73 2kmg h TYR 138 N -0.36 1.07 0.00 1.37 -0.00 -0.79 -1.14 116.97 117.11 2kmg h TYR 138 Ca -0.00 -0.14 -0.07 0.00 -0.00 0.00 0.00 58.73 58.52 2kmg h TYR 138 Cb 0.35 -0.30 -0.01 0.00 -0.00 0.00 0.00 36.73 36.78 2kmg h TYR 138 CO 0.04 0.90 -0.33 0.07 -0.00 0.00 0.00 178.16 178.84 2kmg h ARG 139 N 0.93 0.00 0.05 0.10 0.11 -1.61 0.79 114.38 114.74 2kmg h ARG 139 Ca 0.19 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 60.03 2kmg h ARG 139 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 2kmg h ARG 139 CO 0.01 0.33 -1.05 0.00 0.10 0.00 0.00 179.97 179.36 2kmg h ALA 140 N 1.67 0.27 0.00 0.08 0.00 -0.98 -3.24 119.26 117.05 2kmg h ALA 140 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2kmg h ALA 140 Cb 0.83 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kmg h ALA 140 CO 0.04 0.85 -0.53 -0.84 0.00 0.00 0.00 179.25 178.78 2kmg h ILE 141 N 0.18 0.00 0.00 0.00 -0.00 -1.06 -3.45 117.51 113.18 2kmg h ILE 141 Ca -0.10 -0.77 0.00 0.00 -0.00 0.00 0.00 64.86 63.98 2kmg h ILE 141 Cb 1.71 1.48 0.00 0.00 -0.00 0.00 0.00 36.82 40.01 2kmg h ILE 141 CO 0.18 0.00 0.00 -0.67 -0.00 0.00 0.00 178.15 177.66