#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmg n ASN 2 N 0.00 0.00 0.00 7.83 4.05 -1.26 -4.99 115.26 120.89 2kmg n ASN 2 Ca 0.00 -0.77 0.00 0.00 0.45 0.00 0.00 54.58 54.26 2kmg n ASN 2 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2kmg n ASN 2 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 2kmg n THR 3 N 0.00 0.00 -4.31 -0.44 -1.04 -1.26 -4.92 114.28 102.31 2kmg n THR 3 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 2kmg n THR 3 Cb 0.19 -0.41 -0.15 0.00 -1.82 0.00 0.00 70.33 68.14 2kmg n THR 3 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2kmg s GLU 4 N -0.82 0.74 0.27 -2.82 2.02 -1.26 -5.12 118.70 111.71 2kmg s GLU 4 Ca 0.00 -0.26 -0.31 0.00 0.02 0.00 0.00 54.97 54.42 2kmg s GLU 4 Cb 0.00 -0.71 -0.12 0.00 0.10 0.00 0.00 34.13 33.40 2kmg s GLU 4 CO 0.00 0.13 1.57 0.39 0.02 0.00 0.00 175.26 177.37 2kmg n GLU 5 N 3.13 2.55 -3.87 1.61 4.71 -1.26 -4.99 120.64 122.52 2kmg n GLU 5 Ca -0.16 0.91 -0.35 0.00 -0.01 0.00 0.00 57.16 57.54 2kmg n GLU 5 Cb 0.56 -2.67 -0.08 0.00 -1.01 0.00 0.00 31.44 28.24 2kmg n GLU 5 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 2kmg s GLN 6 N -0.23 3.87 0.00 3.49 -2.07 -1.26 -4.96 119.66 118.49 2kmg s GLN 6 Ca 0.67 -0.23 0.13 0.00 -1.82 0.00 0.00 55.36 54.10 2kmg s GLN 6 Cb -0.54 -3.28 0.75 0.00 -1.09 0.00 0.00 33.01 28.86 2kmg s GLN 6 CO 0.46 0.45 1.23 -2.30 -1.32 0.00 0.00 175.29 173.81 2kmg n PRO 7 N 3.02 0.62 -2.47 9.60 -0.02 -1.26 -4.77 135.00 139.73 2kmg n PRO 7 Ca -0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.88 2kmg n PRO 7 Cb 0.53 -1.32 -0.03 0.00 -0.02 0.00 0.00 33.50 32.67 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 4.26 -0.04 -1.45 1.01 -1.26 -4.97 120.40 115.94 2kmg s VAL 8 Ca 0.19 1.59 -0.04 0.00 0.00 0.00 0.00 61.98 63.72 2kmg s VAL 8 Cb 0.09 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2kmg s VAL 8 CO 0.15 0.02 0.11 0.42 0.00 0.00 0.00 175.10 175.79 2kmg s THR 9 N 2.05 -0.00 0.91 3.92 -4.23 -1.26 -4.86 115.64 112.17 2kmg s THR 9 Ca 0.56 0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.95 2kmg s THR 9 Cb -0.25 -0.16 0.17 0.00 1.34 0.00 0.00 72.50 73.60 2kmg s THR 9 CO 0.23 0.01 1.27 0.00 -0.54 0.00 0.00 174.62 175.58 2kmg s ALA 10 N 0.16 2.44 0.07 3.99 0.00 -1.26 -2.91 121.76 124.25 2kmg s ALA 10 Ca -0.01 -1.15 -0.23 0.00 0.00 0.00 0.00 51.96 50.57 2kmg s ALA 10 Cb -0.02 -2.74 0.06 0.00 0.00 0.00 0.00 23.12 20.42 2kmg s ALA 10 CO -0.00 -2.21 0.55 0.45 0.00 0.00 0.00 175.76 174.54 2kmg s SER 11 N -4.82 -0.48 -0.29 0.00 0.15 -0.73 -4.87 113.70 102.66 2kmg s SER 11 Ca 0.71 0.14 -0.24 0.00 0.70 0.00 0.00 55.95 57.26 2kmg s SER 11 Cb -0.05 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2kmg s SER 11 CO 0.51 -0.79 0.82 -0.22 1.20 0.00 0.00 173.24 174.77 2kmg s LEU 12 N -2.17 4.07 0.37 3.45 2.96 -1.26 -0.26 118.68 125.84 2kmg s LEU 12 Ca -0.03 0.77 -0.24 0.00 -0.22 0.00 0.00 54.13 54.40 2kmg s LEU 12 Cb -0.00 -3.14 -0.10 0.00 0.50 0.00 0.00 46.19 43.45 2kmg s LEU 12 CO -0.04 -0.62 0.97 -0.69 -1.32 0.00 0.00 176.35 174.65 2kmg s VAL 13 N 3.00 4.14 0.63 1.68 1.01 -1.01 -4.95 120.40 124.90 2kmg s VAL 13 Ca 0.34 1.62 -0.18 0.00 0.00 0.00 0.00 61.98 63.77 2kmg s VAL 13 Cb -0.14 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2kmg s VAL 13 CO 0.12 -0.01 0.90 0.00 0.00 0.00 0.00 175.10 176.11 2kmg n ALA 14 N 0.11 -0.11 0.10 5.51 0.00 -1.26 -4.70 120.51 120.16 2kmg n ALA 14 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 2kmg n ALA 14 Cb 0.51 -2.07 0.28 0.00 0.00 0.00 0.00 19.45 18.16 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 0.25 0.23 -0.01 0.00 4.11 -1.99 0.38 114.58 117.56 2kmg h GLU 15 Ca -0.48 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 58.86 2kmg h GLU 15 Cb 1.36 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2kmg h GLU 15 CO 0.49 0.54 -0.30 0.00 0.07 0.00 0.00 179.01 179.81 2kmg n ALA 16 N -2.48 3.16 0.16 1.06 0.00 -1.26 -3.89 120.51 117.25 2kmg n ALA 16 Ca -0.01 -0.41 0.04 0.00 0.00 0.00 0.00 53.44 53.06 2kmg n ALA 16 Cb 0.41 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.71 1.99 0.20 0.00 1.13 -0.97 -4.47 117.38 114.55 2kmg n GLN 17 Ca 0.11 -0.04 0.14 0.00 -1.94 0.00 0.00 57.00 55.27 2kmg n GLN 17 Cb 0.35 -1.06 0.50 0.00 0.11 0.00 0.00 30.24 30.14 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 -0.37 0.90 114.38 113.93 2kmg h ARG 18 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 2kmg h ARG 18 Cb 0.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 2kmg h ARG 18 CO 0.00 0.00 -0.40 1.37 0.10 0.00 0.00 179.97 181.04 2kmg h LEU 19 N 0.00 0.00 0.00 0.08 8.10 -1.78 -3.14 115.31 118.57 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 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.82 2kmg h LEU 19 CO 0.00 0.40 -1.10 -0.67 -4.11 0.00 0.00 178.44 172.95 2kmg n ASP 20 N -3.51 1.83 0.04 0.17 -0.08 -1.07 -4.48 116.55 109.46 2kmg n ASP 20 Ca -0.00 -0.27 -0.02 0.00 -1.51 0.00 0.00 54.79 52.98 2kmg n ASP 20 Cb 0.53 1.30 0.23 0.00 2.34 0.00 0.00 41.12 45.52 2kmg n ASP 20 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2kmg h PHE 21 N 0.00 0.45 0.35 -0.67 3.04 -0.83 -1.57 116.94 117.71 2kmg h PHE 21 Ca 0.00 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 61.84 2kmg h PHE 21 Cb 0.38 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.79 2kmg h PHE 21 CO 0.00 0.64 -0.17 1.25 -2.02 0.00 0.00 178.31 178.01 2kmg h LEU 22 N 0.35 -0.40 -0.15 0.59 5.85 -1.77 -0.29 115.31 119.50 2kmg h LEU 22 Ca 0.05 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2kmg h LEU 22 Cb 0.66 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2kmg h LEU 22 CO 0.05 -0.08 0.00 -0.81 -0.34 0.00 0.00 178.44 177.26 2kmg n PRO 23 N -5.19 0.04 -0.01 5.25 -0.04 -1.20 -0.11 135.00 133.74 2kmg n PRO 23 Ca -0.10 0.29 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 2kmg n PRO 23 Cb 0.27 -1.58 -0.14 0.00 -0.04 0.00 0.00 33.50 32.01 2kmg n PRO 23 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2kmg n THR 24 N -1.65 1.75 -0.06 0.52 -1.04 -0.59 -1.84 114.28 111.36 2kmg n THR 24 Ca 0.03 -0.65 -0.05 0.00 -2.04 0.00 0.00 64.05 61.35 2kmg n THR 24 Cb 0.18 -1.69 -0.13 0.00 -1.82 0.00 0.00 70.33 66.87 2kmg n THR 24 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2kmg n TYR 25 N -3.45 0.00 -0.12 -1.42 4.02 -0.14 -4.65 117.16 111.40 2kmg n TYR 25 Ca -0.33 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.39 2kmg n TYR 25 Cb 1.04 -0.70 -0.12 0.00 -0.02 0.00 0.00 39.34 39.54 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 -2.48 0.03 0.00 -0.72 7.35 0.84 -5.01 117.46 117.46 2kmg n PHE 26 Ca -0.21 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.48 2kmg n PHE 26 Cb 0.90 -1.00 0.00 0.00 0.35 0.00 0.00 39.48 39.73 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 2.20 4.65 0.32 7.13 0.00 -0.57 -4.67 105.19 114.24 2kmg n GLY 27 Ca -0.44 -1.00 0.20 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.63 -0.94 132.00 131.17 2kmg h PRO 28 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 2kmg h PRO 28 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2kmg h PRO 28 CO 0.00 0.01 -2.20 -2.13 -0.23 0.00 0.00 178.00 173.45 2kmg n ARG 29 N -3.16 0.93 0.08 0.86 0.00 -1.26 -4.47 116.66 109.64 2kmg n ARG 29 Ca -0.02 -0.04 -0.09 0.00 -0.00 0.00 0.00 57.85 57.70 2kmg n ARG 29 Cb 0.14 -1.47 -0.01 0.00 0.00 0.00 0.00 32.46 31.12 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 0.31 -0.63 6.15 4.07 -1.72 -3.34 115.31 120.14 2kmg h LEU 30 Ca -0.42 -0.25 0.26 0.00 0.08 0.00 0.00 57.88 57.55 2kmg h LEU 30 Cb 1.94 -0.09 -0.11 0.00 1.08 0.00 0.00 40.66 43.47 2kmg h LEU 30 CO 0.02 1.05 0.31 1.15 -1.08 0.00 0.00 178.44 179.89 2kmg n MET 31 N -3.68 -0.04 -0.10 1.13 0.00 -0.40 0.13 117.12 114.16 2kmg n MET 31 Ca -0.04 0.88 -0.19 0.00 0.00 0.00 0.00 57.70 58.35 2kmg n MET 31 Cb 0.81 -1.56 -0.12 0.00 0.00 0.00 0.00 33.22 32.34 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 -4.47 0.67 0.04 3.17 0.00 -1.26 -2.93 117.12 112.34 2kmg n MET 32 Ca 0.23 0.17 0.09 0.00 0.00 0.00 0.00 57.70 58.20 2kmg n MET 32 Cb 0.79 -1.56 0.39 0.00 0.00 0.00 0.00 33.22 32.83 2kmg n MET 32 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2kmg n ARG 33 N -3.31 0.06 -0.11 3.17 1.85 0.23 -2.06 116.66 116.49 2kmg n ARG 33 Ca -0.43 0.27 -0.18 0.00 -1.00 0.00 0.00 57.85 56.50 2kmg n ARG 33 Cb 1.00 -1.60 -0.09 0.00 -1.05 0.00 0.00 32.46 30.72 2kmg n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kmg n GLY 34 N 0.19 -0.32 0.35 2.89 0.00 0.34 -3.96 105.19 104.70 2kmg n GLY 34 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.33 1.02 0.00 1.61 4.11 -1.53 0.18 114.58 119.64 2kmg h GLU 35 Ca -0.51 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.86 2kmg h GLU 35 Cb 1.63 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2kmg h GLU 35 CO -0.18 0.68 0.00 0.00 0.07 0.00 0.00 179.01 179.58 2kmg h ALA 36 N 1.51 1.00 0.17 1.06 0.00 -1.64 -3.06 119.26 118.31 2kmg h ALA 36 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.88 2kmg h ALA 36 Cb -0.12 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2kmg h ALA 36 CO -0.06 0.00 -1.43 -0.07 0.00 0.00 0.00 179.25 177.69 2kmg h LEU 37 N 0.00 0.58 -0.45 0.00 3.38 -1.12 -2.50 115.31 115.19 2kmg h LEU 37 Ca 0.00 -0.67 -0.16 0.00 0.09 0.00 0.00 57.88 57.14 2kmg h LEU 37 Cb 0.67 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2kmg h LEU 37 CO 0.00 1.53 -0.50 -0.37 0.09 0.00 0.00 178.44 179.20 2kmg h VAL 38 N 0.10 1.29 0.00 1.22 -1.51 -1.27 -3.02 116.25 113.07 2kmg h VAL 38 Ca -0.22 -1.70 -0.14 0.00 -1.23 0.00 0.00 66.70 63.41 2kmg h VAL 38 Cb 2.06 1.62 -0.02 0.00 -2.13 0.00 0.00 31.29 32.82 2kmg h VAL 38 CO 0.22 0.54 -0.68 0.10 -1.23 0.00 0.00 177.57 176.52 2kmg h TYR 39 N 0.57 0.00 -0.84 5.19 -0.00 -1.66 -2.98 116.97 117.26 2kmg h TYR 39 Ca 0.03 0.00 0.04 0.00 -0.00 0.00 0.00 58.73 58.80 2kmg h TYR 39 Cb 1.06 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.74 2kmg h TYR 39 CO 0.06 0.68 0.55 0.00 -0.00 0.00 0.00 178.16 179.45 2kmg h ALA 40 N 1.32 1.51 0.06 0.10 0.00 -1.31 -0.79 119.26 120.15 2kmg h ALA 40 Ca -0.01 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 2kmg h ALA 40 Cb 1.38 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2kmg h ALA 40 CO 0.09 0.39 -1.26 -1.49 0.00 0.00 0.00 179.25 176.98 2kmg h TRP 41 N 1.00 0.24 0.21 0.00 4.06 -1.56 -3.31 115.95 116.59 2kmg h TRP 41 Ca 0.34 -0.17 -0.01 0.00 2.06 0.00 0.00 58.89 61.11 2kmg h TRP 41 Cb 0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 2kmg h TRP 41 CO -0.00 1.16 -0.10 1.98 -3.56 0.00 0.00 178.44 177.92 2kmg h MET 42 N 0.04 -0.28 0.00 0.49 4.05 -1.23 -2.66 114.93 115.34 2kmg h MET 42 Ca -0.13 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 2kmg h MET 42 Cb 1.91 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.77 2kmg h MET 42 CO 0.15 -0.04 0.00 0.07 0.23 0.00 0.00 176.91 177.32 2kmg h ARG 43 N -0.48 0.00 0.00 0.39 -0.00 -1.32 0.02 114.38 113.00 2kmg h ARG 43 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.87 2kmg h ARG 43 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.32 2kmg h ARG 43 CO 0.05 0.00 -0.72 0.00 -0.00 0.00 0.00 179.97 179.30 2kmg h ARG 44 N 0.00 0.00 0.00 0.08 3.08 -1.57 -3.30 114.38 112.67 2kmg h ARG 44 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2kmg h ARG 44 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2kmg h ARG 44 CO 0.00 0.26 -0.40 -0.07 -1.07 0.00 0.00 179.97 178.69 2kmg h LEU 45 N 0.00 0.00 -8.11 3.04 3.38 -0.70 -3.44 115.31 109.49 2kmg h LEU 45 Ca -0.04 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.47 2kmg h LEU 45 Cb 1.29 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.74 2kmg h LEU 45 CO 0.04 0.40 -0.80 0.00 0.09 0.00 0.00 178.44 178.16 2kmg h GLU 47 N 6.08 0.00 -1.67 0.00 4.11 -1.84 -3.24 114.58 118.02 2kmg h GLU 47 Ca -0.33 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.42 2kmg h GLU 47 Cb 1.17 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.08 2kmg h GLU 47 CO 0.49 0.41 0.23 0.54 0.07 0.00 0.00 179.01 180.75 2kmg n ARG 48 N -3.33 3.07 -3.82 1.06 1.74 -1.26 -4.92 116.66 109.20 2kmg n ARG 48 Ca 0.01 -3.94 -0.35 0.00 -0.77 0.00 0.00 57.85 52.80 2kmg n ARG 48 Cb 0.62 -2.26 -0.12 0.00 -1.02 0.00 0.00 32.46 29.68 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 -3.82 3.56 -0.06 -1.55 6.14 -1.22 -4.96 117.35 115.44 2kmg s TYR 49 Ca 0.51 -2.63 -0.21 0.00 0.64 0.00 0.00 57.07 55.38 2kmg s TYR 49 Cb 0.43 -3.14 -0.16 0.00 0.42 0.00 0.00 41.96 39.50 2kmg s TYR 49 CO -0.28 -0.93 0.87 -0.91 0.64 0.00 0.00 175.55 174.94 2kmg h ASN 50 N 7.67 -0.16 0.00 4.32 -0.26 -1.92 -3.46 115.58 121.78 2kmg h ASN 50 Ca -0.09 -0.39 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 2kmg h ASN 50 Cb 1.01 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.31 2kmg h ASN 50 CO 0.67 0.42 0.00 0.61 -1.06 0.00 0.00 177.43 178.07 2kmg n GLY 51 N 0.67 -1.67 3.88 2.83 0.00 -1.26 -5.06 105.19 104.59 2kmg n GLY 51 Ca -0.08 -1.12 0.02 0.00 0.00 0.00 0.00 46.02 44.83 2kmg n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kmg s ALA 52 N -1.35 -2.29 -0.77 4.61 0.00 -1.26 -4.95 121.76 115.76 2kmg s ALA 52 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 51.96 51.92 2kmg s ALA 52 Cb 0.00 0.74 0.12 0.00 0.00 0.00 0.00 23.12 23.99 2kmg s ALA 52 CO 0.00 -1.11 0.93 0.71 0.00 0.00 0.00 175.76 176.28 2kmg s TYR 53 N -2.15 3.08 -1.19 0.00 2.02 -1.26 -4.74 117.35 113.11 2kmg s TYR 53 Ca 0.24 -1.18 -0.22 0.00 -0.37 0.00 0.00 57.07 55.54 2kmg s TYR 53 Cb 0.01 -4.15 -0.08 0.00 -0.40 0.00 0.00 41.96 37.33 2kmg s TYR 53 CO -0.01 -1.40 1.93 0.91 -1.57 0.00 0.00 175.55 175.41 2kmg n TRP 54 N 6.38 2.80 -1.61 2.71 8.01 -1.25 -2.36 117.44 132.11 2kmg n TRP 54 Ca 0.08 -1.53 -0.49 0.00 -1.31 0.00 0.00 57.50 54.24 2kmg n TRP 54 Cb 0.46 -2.61 -0.05 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 13.98 1.65 -2.74 -5.99 8.25 0.64 -4.36 115.22 126.66 2kmg n HIS 55 Ca 0.45 0.56 -0.41 0.00 -0.26 0.00 0.00 57.72 58.06 2kmg n HIS 55 Cb 0.46 -2.37 -0.04 0.00 1.12 0.00 0.00 29.99 29.17 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 0.29 3.73 -0.01 4.41 2.02 -1.26 -2.02 117.35 124.49 2kmg s TYR 56 Ca 0.78 1.72 0.07 0.00 -0.37 0.00 0.00 57.07 59.27 2kmg s TYR 56 Cb -0.84 -3.07 -0.02 0.00 -0.40 0.00 0.00 41.96 37.63 2kmg s TYR 56 CO 0.47 0.10 -0.22 0.71 -1.57 0.00 0.00 175.55 175.05 2kmg s TYR 57 N 0.51 2.46 -0.45 2.71 2.02 -0.64 -2.40 117.35 121.56 2kmg s TYR 57 Ca 0.49 -0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 56.73 2kmg s TYR 57 Cb -0.22 -1.52 0.08 0.00 -0.40 0.00 0.00 41.96 39.90 2kmg s TYR 57 CO 0.28 0.08 0.33 0.00 -1.57 0.00 0.00 175.55 174.67 2kmg s ALA 58 N -0.70 3.43 0.37 3.71 0.00 0.65 -3.03 121.76 126.19 2kmg s ALA 58 Ca 0.11 -2.16 -0.13 0.00 0.00 0.00 0.00 51.96 49.79 2kmg s ALA 58 Cb -0.10 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 20.07 2kmg s ALA 58 CO 0.00 -1.70 0.76 -0.51 0.00 0.00 0.00 175.76 174.31 2kmg s LEU 59 N 1.53 3.92 0.47 0.00 1.43 -1.26 -1.77 118.68 123.01 2kmg s LEU 59 Ca 0.04 1.21 0.16 0.00 -1.03 0.00 0.00 54.13 54.51 2kmg s LEU 59 Cb -0.24 -4.06 1.13 0.00 0.03 0.00 0.00 46.19 43.05 2kmg s LEU 59 CO 0.04 -0.32 2.04 0.28 0.23 0.00 0.00 176.35 178.62 2kmg h SER 60 N 1.68 0.00 -0.21 2.29 0.02 -1.88 -0.74 113.55 114.71 2kmg h SER 60 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2kmg h SER 60 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2kmg h SER 60 CO 0.64 0.13 0.00 0.47 -1.14 0.00 0.00 176.83 176.93 2kmg n ASP 61 N -4.30 1.57 0.00 3.07 8.00 -1.26 -4.88 116.55 118.75 2kmg n ASP 61 Ca -0.03 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.68 2kmg n ASP 61 Cb 0.20 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 2kmg n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kmg n GLY 62 N 1.07 0.35 0.13 0.44 0.00 -0.28 -4.89 105.19 102.00 2kmg n GLY 62 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 0.35 -3.90 -0.02 0.00 -1.87 -3.47 103.07 94.16 2kmg h GLY 63 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2kmg h GLY 63 CO 0.00 0.05 -0.84 0.33 0.00 0.00 0.00 176.54 176.08 2kmg n PHE 64 N -5.00 -4.38 -4.15 5.60 -0.00 -1.26 -4.90 117.46 103.37 2kmg n PHE 64 Ca -0.01 2.61 -0.16 0.00 -0.00 0.00 0.00 57.45 59.89 2kmg n PHE 64 Cb 0.08 -3.49 -0.12 0.00 -0.00 0.00 0.00 39.48 35.95 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.76 178.28 2kmg s TYR 65 N -0.60 0.89 -0.13 -5.13 1.13 -1.17 -4.97 117.35 107.37 2kmg s TYR 65 Ca 0.00 -0.43 -0.05 0.00 -1.41 0.00 0.00 57.07 55.19 2kmg s TYR 65 Cb 0.00 -0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 40.30 2kmg s TYR 65 CO 0.00 -0.02 0.03 -1.64 -2.51 0.00 0.00 175.55 171.41 2kmg s MET 66 N -1.41 3.47 -0.09 -3.49 -1.94 -1.26 -1.62 119.30 112.96 2kmg s MET 66 Ca -0.05 -0.37 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 2kmg s MET 66 Cb -0.09 -3.00 0.02 0.00 2.01 0.00 0.00 34.83 33.77 2kmg s MET 66 CO 0.01 0.50 -0.07 0.00 -0.01 0.00 0.00 175.02 175.45 2kmg s ALA 67 N -0.30 1.15 1.05 3.03 0.00 -0.86 -4.46 121.76 121.37 2kmg s ALA 67 Ca 0.07 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 2kmg s ALA 67 Cb -0.12 -0.74 0.22 0.00 0.00 0.00 0.00 23.12 22.48 2kmg s ALA 67 CO 0.02 -0.24 1.09 -2.30 0.00 0.00 0.00 175.76 174.33 2kmg n PRO 68 N 4.57 -1.45 -3.57 0.00 -0.02 -1.22 -0.26 135.00 133.05 2kmg n PRO 68 Ca -0.16 -0.37 -0.40 0.00 -2.02 0.00 0.00 63.50 60.54 2kmg n PRO 68 Cb 0.51 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 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 -2.52 5.86 -0.27 2.55 2.15 -1.00 -4.47 116.67 118.97 2kmg s ASP 69 Ca 0.68 -2.87 -0.02 0.00 0.43 0.00 0.00 52.55 50.77 2kmg s ASP 69 Cb -0.24 -1.99 0.09 0.00 -0.30 0.00 0.00 42.92 40.47 2kmg s ASP 69 CO 0.62 -0.43 0.09 -0.76 -0.17 0.00 0.00 175.17 174.52 2kmg s LEU 70 N -0.10 1.58 -0.40 -1.34 2.01 -1.26 -4.57 118.68 114.60 2kmg s LEU 70 Ca 0.18 -1.34 -0.26 0.00 0.01 0.00 0.00 54.13 52.72 2kmg s LEU 70 Cb -0.16 -0.68 0.02 0.00 0.01 0.00 0.00 46.19 45.39 2kmg s LEU 70 CO -0.06 -0.39 0.96 0.00 1.01 0.00 0.00 176.35 177.87 2kmg s ALA 71 N 1.79 3.34 0.00 4.21 0.00 -1.26 -3.65 121.76 126.18 2kmg s ALA 71 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2kmg s ALA 71 Cb -0.17 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2kmg s ALA 71 CO -0.23 -1.79 0.00 0.41 0.00 0.00 0.00 175.76 174.14 2kmg n GLY 72 N 4.56 0.47 3.22 0.00 0.00 -1.26 -5.01 105.19 107.17 2kmg n GLY 72 Ca 0.08 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.07 2.63 -0.28 1.61 1.81 -1.26 -4.41 118.95 117.98 2kmg s ARG 73 Ca 0.00 -1.14 -0.05 0.00 -1.72 0.00 0.00 55.73 52.82 2kmg s ARG 73 Cb 0.00 -3.23 0.02 0.00 -0.45 0.00 0.00 34.95 31.29 2kmg s ARG 73 CO 0.00 -0.57 0.03 -0.48 -0.68 0.00 0.00 175.30 173.60 2kmg s LEU 74 N 1.33 3.66 -0.31 2.53 2.34 -1.25 -4.96 118.68 122.01 2kmg s LEU 74 Ca -0.03 -0.81 -0.30 0.00 0.06 0.00 0.00 54.13 53.06 2kmg s LEU 74 Cb -0.19 -1.80 -0.07 0.00 -0.56 0.00 0.00 46.19 43.57 2kmg s LEU 74 CO -0.00 -0.18 2.26 -0.62 -1.06 0.00 0.00 176.35 176.75 2kmg n GLU 75 N 4.79 1.54 -3.96 1.48 -0.58 -1.26 -2.75 120.64 119.90 2kmg n GLU 75 Ca -0.15 0.37 -0.31 0.00 -0.42 0.00 0.00 57.16 56.65 2kmg n GLU 75 Cb 0.47 -3.04 -0.15 0.00 -0.57 0.00 0.00 31.44 28.15 2kmg n GLU 75 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2kmg s ILE 76 N 8.75 1.75 -0.46 -3.67 -1.09 -1.25 -4.66 121.20 120.56 2kmg s ILE 76 Ca 1.04 -1.58 -0.16 0.00 -2.23 0.00 0.00 60.65 57.72 2kmg s ILE 76 Cb -0.46 -2.08 0.06 0.00 -1.58 0.00 0.00 42.46 38.40 2kmg s ILE 76 CO 0.37 -0.26 0.40 -1.83 -1.23 0.00 0.00 174.94 172.39 2kmg s GLU 77 N 1.25 2.99 -0.36 2.79 -1.05 0.12 -3.53 118.70 120.91 2kmg s GLU 77 Ca -0.01 -1.24 -0.29 0.00 -0.15 0.00 0.00 54.97 53.29 2kmg s GLU 77 Cb -0.19 -4.10 -0.00 0.00 -0.44 0.00 0.00 34.13 29.40 2kmg s GLU 77 CO -0.08 -0.99 1.51 0.14 0.95 0.00 0.00 175.26 176.79 2kmg s VAL 78 N 1.74 3.80 -0.70 1.83 -7.23 -1.18 -4.43 120.40 114.23 2kmg s VAL 78 Ca 0.05 0.84 0.02 0.00 -1.81 0.00 0.00 61.98 61.08 2kmg s VAL 78 Cb -0.23 -4.01 0.13 0.00 0.56 0.00 0.00 36.38 32.83 2kmg s VAL 78 CO 0.08 -0.60 0.80 0.59 -0.31 0.00 0.00 175.10 175.66 2kmg n ASN 79 N 8.99 2.07 -0.05 4.85 3.02 -1.26 -1.04 115.26 131.84 2kmg n ASN 79 Ca 0.18 -2.18 -0.00 0.00 -0.03 0.00 0.00 54.58 52.55 2kmg n ASN 79 Cb 0.47 -0.54 -0.16 0.00 -0.61 0.00 0.00 39.78 38.95 2kmg n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kmg n GLY 80 N 0.13 -0.94 0.00 7.41 0.00 -1.26 -4.61 105.19 105.92 2kmg n GLY 80 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.47 0.00 -1.51 1.61 0.23 -1.21 -4.95 115.26 106.96 2kmg n ASN 81 Ca -0.18 -1.00 -0.17 0.00 -0.53 0.00 0.00 54.58 52.70 2kmg n ASN 81 Cb 0.85 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.50 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 0.97 3.52 4.83 0.00 -0.21 -4.93 105.19 109.37 2kmg n GLY 82 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.70 2.68 -0.38 1.61 5.36 -1.13 -4.92 117.98 118.50 2kmg s PHE 83 Ca 0.00 -0.85 -0.27 0.00 -0.96 0.00 0.00 56.93 54.85 2kmg s PHE 83 Cb 0.00 -4.53 0.02 0.00 -0.34 0.00 0.00 43.02 38.17 2kmg s PHE 83 CO 0.00 -1.80 1.01 0.50 -1.46 0.00 0.00 175.22 173.46 2kmg s ARG 84 N 4.34 3.88 -0.30 10.12 3.52 -1.26 -3.12 118.95 136.13 2kmg s ARG 84 Ca 0.38 0.71 -0.16 0.00 -0.13 0.00 0.00 55.73 56.52 2kmg s ARG 84 Cb -0.04 -3.80 0.20 0.00 -1.56 0.00 0.00 34.95 29.74 2kmg s ARG 84 CO -0.04 -1.02 1.20 0.20 -0.81 0.00 0.00 175.30 174.84 2kmg s GLY 85 N 1.92 0.46 0.40 8.12 0.00 -1.23 -5.03 107.32 111.96 2kmg s GLY 85 Ca 0.42 3.68 -0.27 0.00 0.00 0.00 0.00 44.72 48.55 2kmg s GLY 85 CO 0.20 2.81 1.43 -1.83 0.00 0.00 0.00 173.10 175.71 2kmg s GLU 86 N 1.23 3.97 -0.07 2.90 -1.05 -1.26 -3.96 118.70 120.46 2kmg s GLU 86 Ca -0.07 2.43 -0.17 0.00 -0.15 0.00 0.00 54.97 57.02 2kmg s GLU 86 Cb -0.02 -2.85 0.03 0.00 -0.44 0.00 0.00 34.13 30.85 2kmg s GLU 86 CO -0.12 -0.59 0.39 -1.17 0.95 0.00 0.00 175.26 174.72 2kmg s LEU 87 N -2.32 0.52 0.76 1.83 2.96 -1.11 -4.90 118.68 116.42 2kmg s LEU 87 Ca 0.56 0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 54.74 2kmg s LEU 87 Cb -0.44 1.47 0.06 0.00 0.50 0.00 0.00 46.19 47.78 2kmg s LEU 87 CO 0.58 -0.36 1.19 -0.44 -1.32 0.00 0.00 176.35 176.00 2kmg s SER 88 N -0.79 4.03 0.22 3.68 0.01 -1.26 -3.95 113.70 115.64 2kmg s SER 88 Ca -0.09 2.31 0.16 0.00 1.31 0.00 0.00 55.95 59.65 2kmg s SER 88 Cb -0.04 -2.58 0.83 0.00 0.21 0.00 0.00 66.02 64.44 2kmg s SER 88 CO 0.04 -2.37 1.50 0.00 0.41 0.00 0.00 173.24 172.82 2kmg n ALA 89 N -2.97 1.16 -0.06 1.44 0.00 -1.24 -0.70 120.51 118.15 2kmg n ALA 89 Ca 0.13 0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 2kmg n ALA 89 Cb 0.51 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 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 0.78 0.00 3.58 -1.87 -1.34 116.42 117.56 2kmg h ASP 90 Ca 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2kmg h ASP 90 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2kmg h ASP 90 CO 0.00 0.62 0.00 0.00 -2.88 0.00 0.00 179.24 176.98 2kmg h ALA 91 N -0.93 1.00 0.06 -0.78 0.00 -1.87 -2.86 119.26 113.88 2kmg h ALA 91 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 2kmg h ALA 91 Cb 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2kmg h ALA 91 CO -0.01 0.00 -2.05 0.00 0.00 0.00 0.00 179.25 177.20 2kmg n ALA 92 N -1.91 1.20 0.31 0.00 0.00 0.12 -3.96 120.51 116.28 2kmg n ALA 92 Ca 0.01 -0.80 0.19 0.00 0.00 0.00 0.00 53.44 52.85 2kmg n ALA 92 Cb 0.24 -0.58 1.04 0.00 0.00 0.00 0.00 19.45 20.16 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 2.18 0.00 1.11 0.00 0.00 -1.00 -0.04 103.07 105.32 2kmg h GLY 93 Ca -0.43 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 2kmg h GLY 93 CO 0.05 0.00 -0.30 -2.22 0.00 0.00 0.00 176.54 174.07 2kmg h ILE 94 N 0.00 1.27 -0.06 2.60 1.08 -1.67 -2.55 117.51 118.18 2kmg h ILE 94 Ca 0.00 -1.47 -0.17 0.00 -0.39 0.00 0.00 64.86 62.83 2kmg h ILE 94 Cb 0.14 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 2kmg h ILE 94 CO 0.00 0.50 -0.71 0.58 -0.69 0.00 0.00 178.15 177.82 2kmg h VAL 95 N 0.79 1.40 -0.18 1.67 2.07 -1.20 -2.04 116.25 118.76 2kmg h VAL 95 Ca 0.08 -2.18 -0.03 0.00 0.82 0.00 0.00 66.70 65.40 2kmg h VAL 95 Cb 0.89 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2kmg h VAL 95 CO 0.08 0.65 -0.01 0.00 0.02 0.00 0.00 177.57 178.31 2kmg h ALA 96 N 1.03 0.24 -0.16 1.67 0.00 -1.40 -2.35 119.26 118.30 2kmg h ALA 96 Ca -0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2kmg h ALA 96 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kmg h ALA 96 CO 0.12 -0.03 -0.34 0.00 0.00 0.00 0.00 179.25 179.00 2kmg h THR 97 N 0.06 1.35 -0.12 0.00 1.03 -1.52 -3.08 112.91 110.64 2kmg h THR 97 Ca 0.05 -1.59 0.04 0.00 -0.01 0.00 0.00 66.41 64.90 2kmg h THR 97 Cb 0.41 1.97 -0.05 0.00 -1.07 0.00 0.00 68.15 69.42 2kmg h THR 97 CO 0.01 0.48 -0.16 -0.07 -0.01 0.00 0.00 175.52 175.77 2kmg h LEU 98 N 0.14 -0.50 -1.50 0.00 3.38 -1.41 -1.34 115.31 114.08 2kmg h LEU 98 Ca 0.00 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2kmg h LEU 98 Cb 0.94 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 2kmg h LEU 98 CO 0.07 -0.21 0.48 -0.26 0.09 0.00 0.00 178.44 178.62 2kmg h PHE 99 N -0.21 0.59 -0.80 1.13 0.04 -1.49 -0.44 116.94 115.77 2kmg h PHE 99 Ca 0.09 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 2kmg h PHE 99 Cb 0.34 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 2kmg h PHE 99 CO -0.27 0.26 0.36 0.00 -0.60 0.00 0.00 178.31 178.06 2kmg h ALA 100 N 1.64 1.14 -0.39 2.45 0.00 -1.16 -2.37 119.26 120.56 2kmg h ALA 100 Ca 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2kmg h ALA 100 Cb 0.61 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2kmg h ALA 100 CO -0.12 0.64 0.17 -0.07 0.00 0.00 0.00 179.25 179.87 2kmg h LEU 101 N 1.14 0.53 -1.08 0.00 3.38 -0.60 -0.67 115.31 118.01 2kmg h LEU 101 Ca 0.27 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2kmg h LEU 101 Cb 0.15 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2kmg h LEU 101 CO -0.03 0.53 0.29 1.23 0.09 0.00 0.00 178.44 180.55 2kmg h GLY 102 N 0.49 1.00 0.60 0.83 0.00 -1.21 -1.88 103.07 102.90 2kmg h GLY 102 Ca 0.13 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 2kmg h GLY 102 CO -0.01 0.47 -0.36 -1.61 0.00 0.00 0.00 176.54 175.02 2kmg h GLN 103 N 0.93 0.28 -0.63 4.80 4.15 -1.27 -2.64 115.11 120.72 2kmg h GLN 103 Ca 0.22 -0.27 0.08 0.00 0.77 0.00 0.00 58.65 59.45 2kmg h GLN 103 Cb 0.14 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 2kmg h GLN 103 CO -0.02 0.97 0.42 1.25 -1.93 0.00 0.00 178.83 179.51 2kmg h LEU 104 N -0.31 0.47 -0.33 -2.39 7.12 -1.04 0.24 115.31 119.07 2kmg h LEU 104 Ca -0.04 0.01 -0.20 0.00 0.13 0.00 0.00 57.88 57.78 2kmg h LEU 104 Cb 1.08 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 41.12 2kmg h LEU 104 CO 0.07 0.29 -0.75 0.00 -0.13 0.00 0.00 178.44 177.92 2kmg h ALA 105 N 1.67 0.51 0.00 1.25 0.00 -1.36 -2.88 119.26 118.45 2kmg h ALA 105 Ca 0.28 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kmg h ALA 105 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kmg h ALA 105 CO -0.09 0.74 -0.08 0.00 0.00 0.00 0.00 179.25 179.82 2kmg h ALA 106 N 0.82 0.95 0.14 0.00 0.00 -0.83 -3.27 119.26 117.08 2kmg h ALA 106 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 2kmg h ALA 106 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2kmg h ALA 106 CO 0.14 0.00 -1.39 0.93 0.00 0.00 0.00 179.25 178.92 2kmg h GLU 107 N 0.00 0.30 -5.67 0.00 4.39 -0.51 -3.44 114.58 109.65 2kmg h GLU 107 Ca 0.00 -0.50 -0.60 0.00 0.34 0.00 0.00 59.36 58.60 2kmg h GLU 107 Cb 0.80 0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 29.54 2kmg h GLU 107 CO 0.00 1.21 0.30 0.96 -1.16 0.00 0.00 179.01 180.32 2kmg s ILE 108 N -2.63 4.92 1.46 3.13 -4.36 -1.10 -5.05 121.20 117.57 2kmg s ILE 108 Ca -0.07 1.35 -0.24 0.00 -0.26 0.00 0.00 60.65 61.43 2kmg s ILE 108 Cb 0.07 -4.02 0.38 0.00 1.25 0.00 0.00 42.46 40.13 2kmg s ILE 108 CO 0.88 -0.01 0.90 0.00 0.24 0.00 0.00 174.94 176.95 2kmg s ALA 109 N 2.57 -0.90 0.41 2.27 0.00 -1.26 -4.52 121.76 120.33 2kmg s ALA 109 Ca 0.31 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2kmg s ALA 109 Cb -0.15 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2kmg s ALA 109 CO 0.08 -4.75 0.00 -0.25 0.00 0.00 0.00 175.76 170.84 2kmg n ASP 110 N -5.78 -6.34 -1.07 0.00 9.92 -1.26 -4.52 116.55 107.50 2kmg n ASP 110 Ca 0.13 1.19 0.05 0.00 -0.53 0.00 0.00 54.79 55.63 2kmg n ASP 110 Cb 0.60 -3.38 0.20 0.00 -0.64 0.00 0.00 41.12 37.91 2kmg n ASP 110 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2kmg n THR 111 N -1.76 1.15 0.00 -3.53 -1.04 -1.26 -3.67 114.28 104.17 2kmg n THR 111 Ca 0.00 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 2kmg n THR 111 Cb 0.21 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 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 0.45 0.00 0.19 8.00 2.03 -1.26 -3.88 116.55 122.08 2kmg n ASP 112 Ca 0.14 0.36 0.07 0.00 0.52 0.00 0.00 54.79 55.88 2kmg n ASP 112 Cb 0.61 -0.50 0.23 0.00 -0.72 0.00 0.00 41.12 40.74 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 -2.00 0.87 0.00 -1.67 0.00 -1.83 -1.71 119.26 112.92 2kmg h ALA 113 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kmg h ALA 113 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kmg h ALA 113 CO 0.00 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.63 2kmg n ALA 114 N -2.20 2.05 -0.08 0.00 0.00 -1.24 -2.74 120.51 116.30 2kmg n ALA 114 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2kmg n ALA 114 Cb 0.58 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.36 0.21 -0.09 0.00 2.03 -1.13 -4.55 116.55 111.67 2kmg n ASP 115 Ca 0.08 -0.55 -0.18 0.00 0.52 0.00 0.00 54.79 54.66 2kmg n ASP 115 Cb 0.19 0.50 -0.12 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.14 -0.05 -1.67 0.00 -1.13 -3.34 119.26 113.21 2kmg h ALA 116 Ca 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 54.91 53.98 2kmg h ALA 116 Cb 0.04 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kmg h ALA 116 CO 0.00 0.39 -0.16 1.37 0.00 0.00 0.00 179.25 180.85 2kmg h LEU 117 N -0.98 0.07 -1.91 0.00 8.10 -1.80 -2.27 115.31 116.53 2kmg h LEU 117 Ca -0.19 -0.01 0.28 0.00 0.11 0.00 0.00 57.88 58.06 2kmg h LEU 117 Cb 1.18 -0.02 -0.04 0.00 -0.44 0.00 0.00 40.66 41.34 2kmg h LEU 117 CO -0.11 0.24 0.76 0.40 -4.11 0.00 0.00 178.44 175.63 2kmg h ILE 118 N 0.08 0.39 -0.65 0.15 1.08 -1.80 0.38 117.51 117.13 2kmg h ILE 118 Ca 0.02 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.61 2kmg h ILE 118 Cb 0.33 0.45 -0.09 0.00 -3.07 0.00 0.00 36.82 34.44 2kmg h ILE 118 CO 0.02 0.00 0.16 0.44 -0.69 0.00 0.00 178.15 178.09 2kmg h ASP 119 N 0.00 0.05 -0.64 1.72 5.19 -1.58 -0.38 116.42 120.78 2kmg h ASP 119 Ca 0.45 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.96 2kmg h ASP 119 Cb 1.98 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 41.61 2kmg h ASP 119 CO -0.00 0.02 0.33 0.03 -3.12 0.00 0.00 179.24 176.49 2kmg h ARG 120 N 0.29 0.93 -0.06 3.56 -0.00 -1.14 -2.01 114.38 115.95 2kmg h ARG 120 Ca 0.35 -0.12 0.02 0.00 -0.50 0.00 0.00 59.98 59.74 2kmg h ARG 120 Cb 0.54 -0.18 -0.02 0.00 0.00 0.00 0.00 29.97 30.30 2kmg h ARG 120 CO -0.42 0.71 -0.07 -0.92 0.00 0.00 0.00 179.97 179.26 2kmg h TYR 121 N 0.93 -0.18 -0.32 3.04 5.03 -1.15 -0.63 116.97 123.70 2kmg h TYR 121 Ca 0.23 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.50 2kmg h TYR 121 Cb 0.08 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.43 2kmg h TYR 121 CO 0.01 -0.12 -0.02 0.45 -1.32 0.00 0.00 178.16 177.16 2kmg h HIS 122 N -0.10 0.51 0.56 -3.82 3.86 -1.23 -0.27 115.15 114.67 2kmg h HIS 122 Ca 0.05 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2kmg h HIS 122 Cb 0.17 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.50 2kmg h HIS 122 CO -0.17 0.52 -0.27 0.74 0.86 0.00 0.00 177.93 179.61 2kmg h PHE 123 N 0.47 -0.70 -0.23 2.45 0.04 -0.70 -2.48 116.94 115.79 2kmg h PHE 123 Ca 0.10 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2kmg h PHE 123 Cb 0.34 0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 2kmg h PHE 123 CO 0.01 -0.38 0.12 1.25 -0.60 0.00 0.00 178.31 178.72 2kmg h LEU 124 N -0.94 0.29 -1.30 1.54 5.85 -1.08 -2.51 115.31 117.17 2kmg h LEU 124 Ca -0.08 -0.10 0.29 0.00 0.84 0.00 0.00 57.88 58.84 2kmg h LEU 124 Cb 0.64 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.49 2kmg h LEU 124 CO 0.13 0.31 0.68 -0.09 -0.34 0.00 0.00 178.44 179.12 2kmg h ARG 125 N 0.26 0.36 -0.20 1.25 2.43 -1.06 0.34 114.38 117.75 2kmg h ARG 125 Ca 0.08 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 2kmg h ARG 125 Cb 0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2kmg h ARG 125 CO -0.01 0.24 -0.35 0.78 -1.51 0.00 0.00 179.97 179.11 2kmg h GLY 126 N 0.37 0.47 2.00 2.80 0.00 -0.98 -2.76 103.07 104.96 2kmg h GLY 126 Ca 0.64 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 2kmg h GLY 126 CO -0.36 0.39 -0.34 -2.75 0.00 0.00 0.00 176.54 173.49 2kmg h PHE 127 N 0.37 0.00 -0.30 5.60 3.57 -0.30 -2.88 116.94 123.00 2kmg h PHE 127 Ca 0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2kmg h PHE 127 Cb 0.80 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 2kmg h PHE 127 CO 0.02 0.34 0.15 0.00 -2.23 0.00 0.00 178.31 176.59 2kmg h ALA 128 N 1.66 1.69 0.00 2.41 0.00 -1.07 -0.63 119.26 123.33 2kmg h ALA 128 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2kmg h ALA 128 Cb 0.84 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kmg h ALA 128 CO 0.04 0.26 -0.05 0.00 0.00 0.00 0.00 179.25 179.50 2kmg h ALA 129 N 1.75 1.11 0.00 0.00 0.00 -1.56 -1.45 119.26 119.10 2kmg h ALA 129 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kmg h ALA 129 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2kmg h ALA 129 CO -0.02 0.07 -0.44 0.41 0.00 0.00 0.00 179.25 179.27 2kmg n GLY 130 N -0.53 -1.43 3.77 0.00 0.00 -0.25 -4.77 105.19 101.98 2kmg n GLY 130 Ca -0.01 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.10 3.08 -0.42 1.61 3.76 -0.55 -4.90 115.29 114.77 2kmg s HIS 131 Ca 0.09 1.57 0.18 0.00 -0.15 0.00 0.00 55.06 56.75 2kmg s HIS 131 Cb 0.15 -3.33 0.91 0.00 1.11 0.00 0.00 32.58 31.42 2kmg s HIS 131 CO 0.68 -1.20 1.54 -2.30 -0.85 0.00 0.00 174.74 172.61 2kmg n PRO 132 N -0.06 0.12 -0.20 8.40 -0.02 -1.26 -0.96 135.00 141.02 2kmg n PRO 132 Ca 0.05 0.57 0.09 0.00 -2.02 0.00 0.00 63.50 62.19 2kmg n PRO 132 Cb 0.47 -1.85 0.17 0.00 -0.02 0.00 0.00 33.50 32.28 2kmg n PRO 132 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kmg n GLU 133 N -2.09 1.59 -0.34 -0.52 -0.58 -1.26 -4.79 120.64 112.66 2kmg n GLU 133 Ca -0.00 -2.70 0.17 0.00 -0.42 0.00 0.00 57.16 54.21 2kmg n GLU 133 Cb 0.06 -1.58 0.34 0.00 -0.57 0.00 0.00 31.44 29.70 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kmg h ALA 134 N 0.41 1.34 -0.68 0.62 0.00 -1.16 0.73 119.26 120.52 2kmg h ALA 134 Ca 0.01 0.32 0.10 0.00 0.00 0.00 0.00 54.91 55.34 2kmg h ALA 134 Cb 1.09 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 2kmg h ALA 134 CO 0.05 -0.63 0.31 0.00 0.00 0.00 0.00 179.25 178.97 2kmg h ALA 135 N 1.98 0.93 -0.21 0.00 0.00 -1.86 -0.78 119.26 119.31 2kmg h ALA 135 Ca 0.64 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 55.41 2kmg h ALA 135 Cb 1.40 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2kmg h ALA 135 CO -0.89 -0.11 -0.68 0.00 0.00 0.00 0.00 179.25 177.57 2kmg h ALA 136 N 1.44 0.39 0.38 0.00 0.00 0.01 -2.90 119.26 118.58 2kmg h ALA 136 Ca 0.34 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2kmg h ALA 136 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kmg h ALA 136 CO -0.29 0.69 -0.18 0.82 0.00 0.00 0.00 179.25 180.28 2kmg h ILE 137 N 0.59 0.63 -0.44 0.00 2.04 -0.53 0.73 117.51 120.53 2kmg h ILE 137 Ca -0.02 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 2kmg h ILE 137 Cb 1.30 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2kmg h ILE 137 CO 0.14 0.04 0.01 0.10 0.00 0.00 0.00 178.15 178.44 2kmg h TYR 138 N -0.61 0.74 0.00 1.37 -0.00 -1.28 -1.74 116.97 115.46 2kmg h TYR 138 Ca -0.05 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.73 58.53 2kmg h TYR 138 Cb 0.45 -0.21 -0.01 0.00 -0.00 0.00 0.00 36.73 36.96 2kmg h TYR 138 CO -0.03 0.69 -0.26 0.07 -0.00 0.00 0.00 178.16 178.64 2kmg h ARG 139 N 0.67 0.00 -0.12 0.10 0.11 -1.46 -0.92 114.38 112.76 2kmg h ARG 139 Ca 0.14 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.03 2kmg h ARG 139 Cb 0.40 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.48 2kmg h ARG 139 CO 0.01 0.26 -0.71 0.00 0.10 0.00 0.00 179.97 179.63 2kmg h ALA 140 N 1.74 0.53 0.00 0.08 0.00 0.00 -3.14 119.26 118.48 2kmg h ALA 140 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2kmg h ALA 140 Cb 0.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2kmg h ALA 140 CO 0.03 0.73 -0.65 0.44 0.00 0.00 0.00 179.25 179.80 2kmg n ILE 141 N -3.89 0.11 1.01 0.00 -6.64 -0.83 -4.55 119.36 104.58 2kmg n ILE 141 Ca -0.05 -0.10 0.08 0.00 -1.77 0.00 0.00 62.75 60.91 2kmg n ILE 141 Cb 0.70 0.20 0.48 0.00 -1.44 0.00 0.00 39.64 39.59 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11