#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 1.53 0.00 7.83 4.13 -1.26 -4.96 115.26 122.53 2kmg n ASN 2 Ca 0.00 -1.27 0.00 0.00 1.68 0.00 0.00 54.58 54.99 2kmg n ASN 2 Cb 0.00 0.52 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 2kmg n ASN 2 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2kmg n THR 3 N -0.25 0.00 1.12 3.41 -1.04 -1.26 -4.75 114.28 111.52 2kmg n THR 3 Ca 0.06 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.19 2kmg n THR 3 Cb 0.33 -0.77 0.18 0.00 -1.82 0.00 0.00 70.33 68.25 2kmg n THR 3 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kmg n GLU 4 N -0.15 1.40 -3.33 -2.82 1.02 -1.26 -4.79 120.64 110.70 2kmg n GLU 4 Ca 0.00 -1.05 -0.08 0.00 -0.02 0.00 0.00 57.16 56.00 2kmg n GLU 4 Cb 0.32 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 2kmg n GLU 4 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2kmg s GLU 5 N -2.33 0.37 -0.13 3.49 2.56 -1.26 -5.14 118.70 116.25 2kmg s GLU 5 Ca 0.24 0.50 -0.23 0.00 0.00 0.00 0.00 54.97 55.48 2kmg s GLU 5 Cb 0.19 -0.41 -0.03 0.00 2.00 0.00 0.00 34.13 35.89 2kmg s GLU 5 CO 0.48 -0.69 0.72 1.14 -0.56 0.00 0.00 175.26 176.34 2kmg s GLN 6 N 2.56 4.33 0.00 4.30 -2.07 -1.26 -4.79 119.66 122.73 2kmg s GLN 6 Ca 0.13 0.85 0.18 0.00 -1.82 0.00 0.00 55.36 54.69 2kmg s GLN 6 Cb -0.15 -3.52 1.06 0.00 -1.09 0.00 0.00 33.01 29.31 2kmg s GLN 6 CO -0.18 -0.14 1.49 -2.30 -1.32 0.00 0.00 175.29 172.84 2kmg n PRO 7 N 4.57 0.53 -4.78 9.60 -0.02 -1.26 -4.67 135.00 138.97 2kmg n PRO 7 Ca 0.00 0.01 -0.24 0.00 -2.02 0.00 0.00 63.50 61.26 2kmg n PRO 7 Cb 0.50 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.33 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 -2.07 1.31 -0.06 -1.45 1.01 -1.26 -4.97 120.40 112.91 2kmg s VAL 8 Ca 0.26 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 2kmg s VAL 8 Cb 0.12 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.44 2kmg s VAL 8 CO 0.22 0.36 0.22 0.42 0.00 0.00 0.00 175.10 176.32 2kmg s THR 9 N -0.39 0.02 0.69 3.92 -4.23 -1.26 -4.84 115.64 109.54 2kmg s THR 9 Ca 0.06 -0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 60.36 2kmg s THR 9 Cb -0.06 -0.37 0.07 0.00 1.34 0.00 0.00 72.50 73.47 2kmg s THR 9 CO -0.01 -0.09 0.99 0.00 -0.54 0.00 0.00 174.62 174.97 2kmg s ALA 10 N -0.28 3.30 0.23 3.99 0.00 -1.26 -1.62 121.76 126.12 2kmg s ALA 10 Ca -0.04 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 2kmg s ALA 10 Cb -0.03 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.66 2kmg s ALA 10 CO 0.01 -1.29 0.54 0.45 0.00 0.00 0.00 175.76 175.47 2kmg s SER 11 N -4.55 -0.19 -0.13 0.00 0.15 -1.13 -4.91 113.70 102.93 2kmg s SER 11 Ca 0.61 -0.67 -0.18 0.00 0.70 0.00 0.00 55.95 56.41 2kmg s SER 11 Cb -0.10 0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 2kmg s SER 11 CO 0.44 -1.14 0.46 -0.22 1.20 0.00 0.00 173.24 173.98 2kmg s LEU 12 N -2.94 4.26 0.32 3.45 2.96 -1.26 -0.27 118.68 125.20 2kmg s LEU 12 Ca 0.14 0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 54.74 2kmg s LEU 12 Cb -0.02 -2.66 -0.06 0.00 0.50 0.00 0.00 46.19 43.95 2kmg s LEU 12 CO 0.03 -0.01 0.64 -0.69 -1.32 0.00 0.00 176.35 175.00 2kmg s VAL 13 N 0.73 4.90 0.52 1.68 1.01 -1.21 -4.88 120.40 123.15 2kmg s VAL 13 Ca 0.25 0.38 -0.23 0.00 0.00 0.00 0.00 61.98 62.38 2kmg s VAL 13 Cb -0.15 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 2kmg s VAL 13 CO 0.10 -0.34 1.36 0.00 0.00 0.00 0.00 175.10 176.22 2kmg n ALA 14 N -0.89 1.66 0.26 5.51 0.00 -1.26 -4.79 120.51 121.00 2kmg n ALA 14 Ca 0.00 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.72 2kmg n ALA 14 Cb 0.54 -2.36 0.69 0.00 0.00 0.00 0.00 19.45 18.32 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 1.67 0.00 -0.00 0.00 -0.00 -1.99 0.72 114.58 114.97 2kmg h GLU 15 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.85 2kmg h GLU 15 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.05 2kmg h GLU 15 CO 0.58 0.12 -0.19 0.00 -0.00 0.00 0.00 179.01 179.52 2kmg n ALA 16 N -2.35 2.81 0.22 1.06 0.00 -1.26 -3.61 120.51 117.38 2kmg n ALA 16 Ca -0.02 -0.21 0.04 0.00 0.00 0.00 0.00 53.44 53.26 2kmg n ALA 16 Cb 0.21 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.45 2.36 0.10 0.00 1.13 -0.47 -4.52 117.38 114.52 2kmg n GLN 17 Ca 0.07 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2kmg n GLN 17 Cb 0.33 -1.05 0.31 0.00 0.11 0.00 0.00 30.24 29.94 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 0.27 0.00 -1.09 3.08 -0.97 0.46 114.38 116.13 2kmg h ARG 18 Ca 0.00 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2kmg h ARG 18 Cb 0.30 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2kmg h ARG 18 CO 0.00 0.50 -0.08 1.37 -1.07 0.00 0.00 179.97 180.69 2kmg h LEU 19 N 0.24 0.00 -0.21 3.04 8.10 -1.80 -2.87 115.31 121.82 2kmg h LEU 19 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.03 2kmg h LEU 19 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.78 2kmg h LEU 19 CO 0.04 0.08 -0.18 -0.67 -4.11 0.00 0.00 178.44 173.61 2kmg n ASP 20 N -3.45 0.43 -0.03 0.17 -0.08 -0.90 -4.61 116.55 108.09 2kmg n ASP 20 Ca -0.01 -0.71 -0.02 0.00 -1.51 0.00 0.00 54.79 52.54 2kmg n ASP 20 Cb 0.23 0.82 0.25 0.00 2.34 0.00 0.00 41.12 44.76 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 0.18 0.62 0.37 -0.67 3.57 0.15 -1.79 116.94 119.37 2kmg h PHE 21 Ca 0.00 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2kmg h PHE 21 Cb 0.13 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.70 2kmg h PHE 21 CO 0.00 0.61 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.45 2kmg h LEU 22 N 0.55 -0.42 0.00 0.59 -0.00 -1.81 -1.00 115.31 113.22 2kmg h LEU 22 Ca 0.11 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2kmg h LEU 22 Cb 0.40 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2kmg h LEU 22 CO 0.02 -0.10 0.00 -0.81 -0.00 0.00 0.00 178.44 177.55 2kmg n PRO 23 N -5.20 0.05 -0.05 1.13 -0.04 -1.18 -0.19 135.00 129.52 2kmg n PRO 23 Ca -0.10 0.28 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 2kmg n PRO 23 Cb 0.27 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.80 0.02 0.52 2.02 -0.97 -2.77 112.91 112.52 2kmg h THR 24 Ca 0.00 -2.25 -0.37 0.00 0.77 0.00 0.00 66.41 64.55 2kmg h THR 24 Cb 0.14 2.35 -0.06 0.00 -1.74 0.00 0.00 68.15 68.84 2kmg h THR 24 CO 0.00 0.57 -2.33 -1.22 0.37 0.00 0.00 175.52 172.91 2kmg n TYR 25 N -4.03 0.27 -0.05 3.16 4.02 -0.41 -4.60 117.16 115.53 2kmg n TYR 25 Ca -0.32 0.07 -0.22 0.00 -0.01 0.00 0.00 57.90 57.42 2kmg n TYR 25 Cb 0.84 -1.04 -0.13 0.00 -0.02 0.00 0.00 39.34 38.99 2kmg n TYR 25 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 2kmg h PHE 26 N 0.01 0.26 0.00 -0.72 -1.00 -0.77 -3.51 116.94 111.21 2kmg h PHE 26 Ca -0.53 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.07 2kmg h PHE 26 Cb 2.01 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 41.56 2kmg h PHE 26 CO 0.03 1.64 0.00 0.41 -1.61 0.00 0.00 178.31 178.78 2kmg n GLY 27 N 1.71 4.56 0.34 -1.45 0.00 -0.59 -4.62 105.19 105.13 2kmg n GLY 27 Ca -0.32 -1.25 0.18 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.77 0.62 132.00 132.61 2kmg h PRO 28 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.76 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 0.00 -2.10 -2.13 -0.23 0.00 0.00 178.00 173.54 2kmg n ARG 29 N -3.49 0.62 0.23 0.86 3.00 -1.26 -4.42 116.66 112.21 2kmg n ARG 29 Ca 0.00 0.33 0.08 0.00 -0.00 0.00 0.00 57.85 58.26 2kmg n ARG 29 Cb 0.28 -1.60 0.56 0.00 0.00 0.00 0.00 32.46 31.71 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 -0.63 0.00 -0.88 6.15 3.38 -1.73 -3.23 115.31 118.37 2kmg h LEU 30 Ca -0.54 0.00 0.32 0.00 0.09 0.00 0.00 57.88 57.75 2kmg h LEU 30 Cb 1.65 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.30 2kmg h LEU 30 CO -0.22 0.20 0.55 1.15 0.09 0.00 0.00 178.44 180.21 2kmg n MET 31 N -3.90 -0.03 -0.09 1.13 0.00 0.18 0.19 117.12 114.59 2kmg n MET 31 Ca -0.02 0.90 -0.12 0.00 0.00 0.00 0.00 57.70 58.46 2kmg n MET 31 Cb 0.29 -1.72 -0.09 0.00 0.00 0.00 0.00 33.22 31.70 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 -4.22 0.70 0.16 3.17 0.00 -1.22 -3.50 117.12 112.22 2kmg n MET 32 Ca 0.28 0.08 0.12 0.00 0.00 0.00 0.00 57.70 58.19 2kmg n MET 32 Cb 1.03 -1.37 0.57 0.00 0.00 0.00 0.00 33.22 33.45 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 -0.66 -2.55 114.38 116.82 2kmg h ARG 33 Ca -0.41 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.02 2kmg h ARG 33 Cb 1.70 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.97 2kmg h ARG 33 CO -0.05 0.00 -2.03 0.41 0.56 0.00 0.00 179.97 178.87 2kmg n GLY 34 N -0.47 -0.27 0.35 0.04 0.00 0.50 -4.10 105.19 101.24 2kmg n GLY 34 Ca 0.01 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.25 0.45 -0.02 1.61 4.11 -1.59 0.13 114.58 119.02 2kmg h GLU 35 Ca -0.43 -0.03 -0.14 0.00 0.07 0.00 0.00 59.36 58.84 2kmg h GLU 35 Cb 1.54 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 2kmg h GLU 35 CO -0.15 0.30 -0.62 0.00 0.07 0.00 0.00 179.01 178.61 2kmg h ALA 36 N 1.68 0.93 -0.30 1.06 0.00 -1.68 -3.10 119.26 117.84 2kmg h ALA 36 Ca 0.29 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 2kmg h ALA 36 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kmg h ALA 36 CO -0.09 0.76 -0.38 -0.07 0.00 0.00 0.00 179.25 179.48 2kmg h LEU 37 N 0.06 0.86 -0.76 0.00 3.38 -0.94 -0.13 115.31 117.78 2kmg h LEU 37 Ca -0.01 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 2kmg h LEU 37 Cb 1.11 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 2kmg h LEU 37 CO 0.09 1.18 0.25 -0.37 0.09 0.00 0.00 178.44 179.68 2kmg h VAL 38 N 0.56 1.26 0.00 1.22 -1.51 -1.34 -2.50 116.25 113.94 2kmg h VAL 38 Ca 0.04 -0.90 -0.16 0.00 -1.23 0.00 0.00 66.70 64.44 2kmg h VAL 38 Cb 0.97 0.41 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 2kmg h VAL 38 CO 0.09 0.36 -0.77 0.10 -1.23 0.00 0.00 177.57 176.12 2kmg h TYR 39 N 1.13 0.00 -0.30 5.19 -0.00 -1.55 -2.96 116.97 118.48 2kmg h TYR 39 Ca 0.25 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.99 2kmg h TYR 39 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.01 2kmg h TYR 39 CO 0.03 0.77 0.18 0.00 -0.00 0.00 0.00 178.16 179.13 2kmg h ALA 40 N 1.23 0.37 -0.11 0.10 0.00 -0.59 -2.05 119.26 118.22 2kmg h ALA 40 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2kmg h ALA 40 Cb 1.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2kmg h ALA 40 CO 0.10 -0.19 -0.53 -1.49 0.00 0.00 0.00 179.25 177.14 2kmg h TRP 41 N 0.36 0.40 -0.78 0.00 4.06 -1.53 -2.85 115.95 115.61 2kmg h TRP 41 Ca 0.12 -0.13 0.03 0.00 2.06 0.00 0.00 58.89 60.96 2kmg h TRP 41 Cb -0.01 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.03 2kmg h TRP 41 CO -0.07 0.78 0.51 1.98 -3.56 0.00 0.00 178.44 178.08 2kmg h MET 42 N 0.25 0.95 0.00 0.49 4.05 -1.26 -1.10 114.93 118.30 2kmg h MET 42 Ca 0.01 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2kmg h MET 42 Cb 1.01 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 2kmg h MET 42 CO 0.09 0.63 -0.30 2.89 0.23 0.00 0.00 176.91 180.44 2kmg n ARG 43 N -4.44 0.18 0.00 0.39 1.85 -0.82 -3.40 116.66 110.42 2kmg n ARG 43 Ca 0.10 0.09 0.13 0.00 -1.00 0.00 0.00 57.85 57.17 2kmg n ARG 43 Cb 0.10 -1.66 0.47 0.00 -1.05 0.00 0.00 32.46 30.32 2kmg n ARG 43 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2kmg n ARG 44 N -1.94 0.01 0.06 2.89 1.74 -0.44 -3.32 116.66 115.66 2kmg n ARG 44 Ca 0.05 0.01 0.11 0.00 -0.77 0.00 0.00 57.85 57.25 2kmg n ARG 44 Cb 0.40 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 2kmg n ARG 44 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2kmg n LEU 45 N -1.53 0.59 -3.66 0.55 4.77 -1.08 -4.66 117.00 111.98 2kmg n LEU 45 Ca 0.06 0.17 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 2kmg n LEU 45 Cb 0.34 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 2kmg n LEU 45 CO 0.30 -0.09 -0.15 0.00 -1.33 0.00 0.00 177.39 176.13 2kmg h GLU 47 N 8.28 0.00 -1.48 0.00 -0.00 -1.89 -2.19 114.58 117.31 2kmg h GLU 47 Ca -0.14 0.00 -0.41 0.00 -0.00 0.00 0.00 59.36 58.80 2kmg h GLU 47 Cb 1.11 0.00 -0.17 0.00 -0.00 0.00 0.00 28.75 29.69 2kmg h GLU 47 CO 0.14 0.10 0.51 0.54 -0.00 0.00 0.00 179.01 180.30 2kmg n ARG 48 N -3.88 2.04 -3.91 1.06 1.74 -1.26 -4.80 116.66 107.65 2kmg n ARG 48 Ca -0.02 -2.00 -0.33 0.00 -0.77 0.00 0.00 57.85 54.73 2kmg n ARG 48 Cb 0.19 -1.80 -0.13 0.00 -1.02 0.00 0.00 32.46 29.70 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 -2.23 3.64 -0.54 -1.55 6.14 -0.82 -4.92 117.35 117.07 2kmg s TYR 49 Ca 0.40 -2.79 0.24 0.00 0.64 0.00 0.00 57.07 55.56 2kmg s TYR 49 Cb 0.31 -3.04 0.45 0.00 0.42 0.00 0.00 41.96 40.10 2kmg s TYR 49 CO -0.03 -0.94 1.54 -0.91 0.64 0.00 0.00 175.55 175.85 2kmg h ASN 50 N 7.66 0.00 0.00 4.32 2.35 -1.89 -3.44 115.58 124.58 2kmg h ASN 50 Ca -0.07 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2kmg h ASN 50 Cb 1.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.39 2kmg h ASN 50 CO 0.61 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 177.01 2kmg n GLY 51 N 1.22 2.26 0.00 2.83 0.00 -1.26 -5.12 105.19 105.12 2kmg n GLY 51 Ca 0.04 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 1.83 0.00 -3.04 4.61 0.00 -1.26 -5.08 120.51 117.57 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 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2kmg n ALA 52 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kmg s TYR 53 N 0.84 2.92 -1.28 0.00 2.02 -1.26 -4.77 117.35 115.82 2kmg s TYR 53 Ca 0.00 -0.88 -0.18 0.00 -0.37 0.00 0.00 57.07 55.64 2kmg s TYR 53 Cb 0.00 -4.10 0.08 0.00 -0.40 0.00 0.00 41.96 37.54 2kmg s TYR 53 CO 0.00 -1.39 1.70 -1.58 -1.57 0.00 0.00 175.55 172.71 2kmg s TRP 54 N 3.01 2.83 0.52 2.71 0.51 -1.26 -0.28 118.94 126.99 2kmg s TRP 54 Ca 0.15 -1.64 -0.20 0.00 -2.12 0.00 0.00 56.10 52.29 2kmg s TRP 54 Cb -0.22 -4.72 -0.09 0.00 -0.81 0.00 0.00 33.47 27.63 2kmg s TRP 54 CO 0.07 -1.78 0.69 0.72 -0.51 0.00 0.00 176.95 176.14 2kmg n HIS 55 N 8.20 -0.06 -3.34 -1.98 8.25 0.04 -4.38 115.22 121.95 2kmg n HIS 55 Ca 0.47 0.49 -0.38 0.00 -0.26 0.00 0.00 57.72 58.04 2kmg n HIS 55 Cb 0.46 -2.04 -0.06 0.00 1.12 0.00 0.00 29.99 29.47 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 -1.56 3.59 -0.00 4.41 2.02 -1.26 -1.98 117.35 122.57 2kmg s TYR 56 Ca 0.68 0.96 0.07 0.00 -0.37 0.00 0.00 57.07 58.41 2kmg s TYR 56 Cb -0.49 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 38.55 2kmg s TYR 56 CO 0.54 0.31 -0.22 0.71 -1.57 0.00 0.00 175.55 175.32 2kmg s TYR 57 N 0.09 2.46 -0.64 2.71 1.51 -0.81 -3.29 117.35 119.38 2kmg s TYR 57 Ca 0.26 -0.33 -0.08 0.00 -1.01 0.00 0.00 57.07 55.90 2kmg s TYR 57 Cb -0.16 -1.50 0.17 0.00 -0.11 0.00 0.00 41.96 40.36 2kmg s TYR 57 CO 0.12 0.10 0.52 0.00 -1.11 0.00 0.00 175.55 175.18 2kmg s ALA 58 N -0.74 3.69 0.50 3.71 0.00 0.62 -3.25 121.76 126.29 2kmg s ALA 58 Ca 0.12 -3.06 -0.22 0.00 0.00 0.00 0.00 51.96 48.80 2kmg s ALA 58 Cb -0.10 -2.99 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 2kmg s ALA 58 CO 0.01 -2.10 1.24 -0.51 0.00 0.00 0.00 175.76 174.40 2kmg s LEU 59 N 0.45 3.92 0.53 0.00 1.43 -1.26 -2.86 118.68 120.89 2kmg s LEU 59 Ca 0.14 2.47 0.34 0.00 -1.03 0.00 0.00 54.13 56.04 2kmg s LEU 59 Cb -0.19 -4.29 1.45 0.00 0.03 0.00 0.00 46.19 43.19 2kmg s LEU 59 CO -0.04 -1.21 1.99 -1.28 0.23 0.00 0.00 176.35 176.04 2kmg h SER 60 N 1.72 0.00 0.46 2.29 0.87 -1.66 -2.80 113.55 114.42 2kmg h SER 60 Ca -0.50 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 59.76 2kmg h SER 60 Cb 1.27 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.19 2kmg h SER 60 CO 0.59 0.00 -1.69 -0.78 -0.53 0.00 0.00 176.83 174.42 2kmg h ASP 61 N 0.00 0.11 0.00 6.23 1.82 -1.91 -3.49 116.42 119.18 2kmg h ASP 61 Ca 0.00 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.42 2kmg h ASP 61 Cb 0.42 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.40 2kmg h ASP 61 CO 0.00 1.19 0.00 0.61 -1.61 0.00 0.00 179.24 179.43 2kmg n GLY 62 N 1.63 1.58 0.13 -0.78 0.00 -1.06 -5.05 105.19 101.64 2kmg n GLY 62 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2kmg n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kmg n GLY 63 N -0.26 -0.48 1.99 -0.02 0.00 -1.26 -4.64 105.19 100.53 2kmg n GLY 63 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2kmg n GLY 63 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kmg n PHE 64 N -3.63 -4.18 -4.30 1.61 7.35 -1.26 -4.77 117.46 108.28 2kmg n PHE 64 Ca -0.42 2.50 -0.19 0.00 -0.76 0.00 0.00 57.45 58.58 2kmg n PHE 64 Cb 0.95 -3.51 -0.13 0.00 0.35 0.00 0.00 39.48 37.14 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2kmg s TYR 65 N -0.47 1.21 -0.15 -5.13 1.13 -1.20 -4.97 117.35 107.77 2kmg s TYR 65 Ca 0.00 -0.38 -0.06 0.00 -1.41 0.00 0.00 57.07 55.22 2kmg s TYR 65 Cb 0.00 -0.71 -0.04 0.00 -1.10 0.00 0.00 41.96 40.11 2kmg s TYR 65 CO 0.00 0.04 0.04 -1.64 -2.51 0.00 0.00 175.55 171.48 2kmg s MET 66 N -1.31 3.69 -0.10 -3.49 -1.94 -1.26 -1.91 119.30 112.99 2kmg s MET 66 Ca 0.00 -0.36 0.01 0.00 -1.71 0.00 0.00 55.69 53.64 2kmg s MET 66 Cb -0.08 -3.09 0.02 0.00 2.01 0.00 0.00 34.83 33.69 2kmg s MET 66 CO 0.02 0.40 -0.11 0.00 -0.01 0.00 0.00 175.02 175.31 2kmg s ALA 67 N -0.01 1.41 0.84 3.03 0.00 -0.84 -4.44 121.76 121.76 2kmg s ALA 67 Ca 0.05 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 2kmg s ALA 67 Cb -0.12 -0.77 0.10 0.00 0.00 0.00 0.00 23.12 22.33 2kmg s ALA 67 CO 0.01 -0.13 1.13 -2.30 0.00 0.00 0.00 175.76 174.47 2kmg n PRO 68 N 4.33 -0.01 -3.36 0.00 -0.02 -1.24 -0.78 135.00 133.90 2kmg n PRO 68 Ca -0.18 0.07 -0.45 0.00 -2.02 0.00 0.00 63.50 60.92 2kmg n PRO 68 Cb 0.51 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 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 -2.23 7.01 -0.13 2.55 2.15 0.61 -4.47 116.67 122.17 2kmg s ASP 69 Ca 0.71 -3.27 -0.04 0.00 0.43 0.00 0.00 52.55 50.38 2kmg s ASP 69 Cb -0.27 -2.19 0.06 0.00 -0.30 0.00 0.00 42.92 40.22 2kmg s ASP 69 CO 0.54 -0.38 0.14 -0.76 -0.17 0.00 0.00 175.17 174.54 2kmg s LEU 70 N -0.75 0.04 -0.34 -1.34 1.43 -1.26 -4.53 118.68 111.94 2kmg s LEU 70 Ca 0.26 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.15 2kmg s LEU 70 Cb -0.10 0.12 -0.01 0.00 0.03 0.00 0.00 46.19 46.23 2kmg s LEU 70 CO -0.08 -0.29 0.36 0.00 0.23 0.00 0.00 176.35 176.57 2kmg s ALA 71 N 2.25 3.50 0.00 4.21 0.00 -1.26 -3.32 121.76 127.13 2kmg s ALA 71 Ca 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2kmg s ALA 71 Cb -0.14 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2kmg s ALA 71 CO -0.08 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.04 2kmg n GLY 72 N 4.95 0.44 3.45 0.00 0.00 -1.26 -5.05 105.19 107.73 2kmg n GLY 72 Ca -0.09 -1.72 -0.44 0.00 0.00 0.00 0.00 46.02 43.78 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 3.13 -0.41 1.61 1.81 -1.26 -4.33 118.95 117.49 2kmg s ARG 73 Ca 0.00 -0.85 -0.15 0.00 -1.72 0.00 0.00 55.73 53.02 2kmg s ARG 73 Cb 0.00 -4.07 0.03 0.00 -0.45 0.00 0.00 34.95 30.46 2kmg s ARG 73 CO 0.00 -1.16 0.30 -0.51 -0.68 0.00 0.00 175.30 173.25 2kmg s LEU 74 N 2.57 5.14 -0.73 2.53 1.43 -0.62 -4.91 118.68 124.08 2kmg s LEU 74 Ca 0.15 -0.97 -0.26 0.00 -1.03 0.00 0.00 54.13 52.02 2kmg s LEU 74 Cb -0.19 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 2kmg s LEU 74 CO 0.13 -0.47 1.92 -1.83 0.23 0.00 0.00 176.35 176.32 2kmg s GLU 75 N 1.66 2.57 -0.32 1.70 -1.05 -1.26 -1.27 118.70 120.74 2kmg s GLU 75 Ca 0.05 0.25 -0.05 0.00 -0.15 0.00 0.00 54.97 55.07 2kmg s GLU 75 Cb -0.20 -4.68 0.04 0.00 -0.44 0.00 0.00 34.13 28.86 2kmg s GLU 75 CO 0.09 -3.04 0.06 0.42 0.95 0.00 0.00 175.26 173.75 2kmg s ILE 76 N 9.64 3.50 -0.57 1.83 -1.09 -1.25 -4.83 121.20 128.43 2kmg s ILE 76 Ca 0.69 -1.16 -0.25 0.00 -2.23 0.00 0.00 60.65 57.71 2kmg s ILE 76 Cb -0.10 -2.96 0.04 0.00 -1.58 0.00 0.00 42.46 37.86 2kmg s ILE 76 CO 0.12 -0.11 0.98 -1.83 -1.23 0.00 0.00 174.94 172.87 2kmg s GLU 77 N 1.36 3.33 -0.79 2.79 -1.05 0.56 -2.75 118.70 122.15 2kmg s GLU 77 Ca -0.02 -0.25 -0.25 0.00 -0.15 0.00 0.00 54.97 54.29 2kmg s GLU 77 Cb -0.19 -4.07 -0.01 0.00 -0.44 0.00 0.00 34.13 29.42 2kmg s GLU 77 CO 0.01 -1.56 1.75 0.08 0.95 0.00 0.00 175.26 176.49 2kmg s VAL 78 N 4.14 3.52 0.33 1.83 1.01 -0.72 -4.43 120.40 126.08 2kmg s VAL 78 Ca 0.31 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.23 2kmg s VAL 78 Cb -0.12 -4.26 0.14 0.00 0.00 0.00 0.00 36.38 32.14 2kmg s VAL 78 CO 0.19 -1.21 1.85 -0.55 0.00 0.00 0.00 175.10 175.39 2kmg h ASN 79 N 12.22 0.45 -1.88 3.32 7.08 -1.86 0.56 115.58 135.47 2kmg h ASN 79 Ca -0.07 -0.10 0.55 0.00 -3.08 0.00 0.00 56.30 53.60 2kmg h ASN 79 Cb 1.07 -0.12 -0.08 0.00 -2.08 0.00 0.00 38.32 37.12 2kmg h ASN 79 CO 1.25 0.56 1.41 1.23 -2.08 0.00 0.00 177.43 179.81 2kmg h GLY 80 N 0.86 0.00 -0.42 9.14 0.00 -1.87 -2.55 103.07 108.23 2kmg h GLY 80 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2kmg h GLY 80 CO 0.02 0.00 -0.07 1.16 0.00 0.00 0.00 176.54 177.65 2kmg n ASN 81 N -3.85 0.00 -0.79 0.19 0.23 -1.12 -5.00 115.26 104.92 2kmg n ASN 81 Ca 0.42 -1.13 -0.10 0.00 -0.53 0.00 0.00 54.58 53.24 2kmg n ASN 81 Cb 1.98 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 39.61 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 1.16 3.51 4.83 0.00 0.18 -4.94 105.19 109.94 2kmg n GLY 82 Ca 0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.33 2.67 -0.49 1.61 5.36 -0.18 -4.85 117.98 119.77 2kmg s PHE 83 Ca 0.00 -0.82 -0.29 0.00 -0.96 0.00 0.00 56.93 54.86 2kmg s PHE 83 Cb 0.00 -4.52 0.03 0.00 -0.34 0.00 0.00 43.02 38.19 2kmg s PHE 83 CO 0.00 -1.80 1.13 1.03 -1.46 0.00 0.00 175.22 174.12 2kmg s ARG 84 N 4.34 3.68 -0.23 10.12 0.52 -1.26 -1.76 118.95 134.36 2kmg s ARG 84 Ca 0.37 0.49 -0.06 0.00 -0.52 0.00 0.00 55.73 56.01 2kmg s ARG 84 Cb -0.05 -3.92 0.12 0.00 0.52 0.00 0.00 34.95 31.61 2kmg s ARG 84 CO -0.03 -1.41 0.46 0.20 0.02 0.00 0.00 175.30 174.54 2kmg s GLY 85 N 2.50 -0.49 0.00 -3.53 0.00 -1.11 -4.97 107.32 99.73 2kmg s GLY 85 Ca 0.46 1.53 -0.30 0.00 0.00 0.00 0.00 44.72 46.41 2kmg s GLY 85 CO 0.31 2.65 1.45 -1.83 0.00 0.00 0.00 173.10 175.68 2kmg s GLU 86 N 2.66 4.26 0.33 2.90 -1.05 -1.26 -3.85 118.70 122.70 2kmg s GLU 86 Ca 0.03 2.02 0.06 0.00 -0.15 0.00 0.00 54.97 56.93 2kmg s GLU 86 Cb -0.13 -3.60 -0.03 0.00 -0.44 0.00 0.00 34.13 29.93 2kmg s GLU 86 CO -0.15 -0.62 0.24 -1.17 0.95 0.00 0.00 175.26 174.52 2kmg s LEU 87 N 2.55 1.74 0.61 1.83 2.96 -0.39 -4.80 118.68 123.17 2kmg s LEU 87 Ca 0.66 -1.72 -0.10 0.00 -0.22 0.00 0.00 54.13 52.74 2kmg s LEU 87 Cb -0.32 0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.77 2kmg s LEU 87 CO 0.27 -1.03 1.00 -0.44 -1.32 0.00 0.00 176.35 174.84 2kmg s SER 88 N -3.39 6.22 0.61 3.68 0.01 -1.26 -1.60 113.70 117.98 2kmg s SER 88 Ca 0.38 1.36 0.35 0.00 1.31 0.00 0.00 55.95 59.35 2kmg s SER 88 Cb 0.03 -2.44 2.01 0.00 0.21 0.00 0.00 66.02 65.83 2kmg s SER 88 CO 0.24 -0.84 2.28 0.00 0.41 0.00 0.00 173.24 175.33 2kmg h ALA 89 N -0.26 1.28 0.23 1.44 0.00 -1.80 -0.66 119.26 119.49 2kmg h ALA 89 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2kmg h ALA 89 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kmg h ALA 89 CO 0.62 0.02 -0.11 0.22 0.00 0.00 0.00 179.25 179.99 2kmg h ASP 90 N 0.00 -0.27 0.46 0.00 1.82 -1.84 -0.56 116.42 116.03 2kmg h ASP 90 Ca -0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2kmg h ASP 90 Cb 0.05 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.13 2kmg h ASP 90 CO 0.00 0.21 0.00 0.00 -1.61 0.00 0.00 179.24 177.84 2kmg n ALA 91 N -2.74 1.49 -0.03 -0.78 0.00 -1.12 -1.99 120.51 115.35 2kmg n ALA 91 Ca -0.05 0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2kmg n ALA 91 Cb 0.15 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.65 1.28 0.30 0.00 0.00 -0.27 -3.94 120.51 116.24 2kmg n ALA 92 Ca 0.02 -0.82 0.18 0.00 0.00 0.00 0.00 53.44 52.82 2kmg n ALA 92 Cb 0.15 -0.63 0.84 0.00 0.00 0.00 0.00 19.45 19.81 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 2.59 0.00 0.93 0.00 0.00 -0.45 -2.28 103.07 103.87 2kmg h GLY 93 Ca -0.40 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 2kmg h GLY 93 CO 0.06 0.00 -0.15 -2.22 0.00 0.00 0.00 176.54 174.23 2kmg h ILE 94 N 0.00 1.29 0.00 2.60 1.08 -1.65 -1.99 117.51 118.84 2kmg h ILE 94 Ca 0.00 -1.26 -0.06 0.00 -0.39 0.00 0.00 64.86 63.15 2kmg h ILE 94 Cb 0.24 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 2kmg h ILE 94 CO 0.00 0.41 -0.27 0.58 -0.69 0.00 0.00 178.15 178.17 2kmg h VAL 95 N 0.42 0.53 -0.03 1.67 2.07 -1.61 -1.95 116.25 117.36 2kmg h VAL 95 Ca 0.07 -1.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.06 2kmg h VAL 95 Cb 0.68 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2kmg h VAL 95 CO 0.05 0.27 -0.21 0.00 0.02 0.00 0.00 177.57 177.69 2kmg h ALA 96 N 1.73 0.07 -0.00 1.67 0.00 -1.28 -3.07 119.26 118.37 2kmg h ALA 96 Ca -0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 2kmg h ALA 96 Cb 1.02 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2kmg h ALA 96 CO 0.04 0.06 -0.72 0.00 0.00 0.00 0.00 179.25 178.62 2kmg h THR 97 N -0.40 1.39 -0.34 0.00 1.03 -1.43 -3.22 112.91 109.94 2kmg h THR 97 Ca -0.02 -2.12 0.07 0.00 -0.01 0.00 0.00 66.41 64.33 2kmg h THR 97 Cb 0.90 2.53 -0.07 0.00 -1.07 0.00 0.00 68.15 70.44 2kmg h THR 97 CO 0.04 0.63 -0.15 -0.07 -0.01 0.00 0.00 175.52 175.97 2kmg h LEU 98 N 0.03 -0.50 -1.74 0.00 3.38 -1.48 -0.39 115.31 114.62 2kmg h LEU 98 Ca -0.09 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2kmg h LEU 98 Cb 1.42 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 2kmg h LEU 98 CO 0.14 -0.18 0.24 -0.26 0.09 0.00 0.00 178.44 178.47 2kmg h PHE 99 N -0.08 0.33 -0.53 1.13 -1.00 -1.64 -2.06 116.94 113.08 2kmg h PHE 99 Ca 0.17 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 2kmg h PHE 99 Cb 0.35 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 2kmg h PHE 99 CO -0.36 0.19 0.24 0.00 -1.61 0.00 0.00 178.31 176.77 2kmg h ALA 100 N 1.80 0.69 -0.92 2.45 0.00 -1.09 -2.46 119.26 119.72 2kmg h ALA 100 Ca 0.15 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2kmg h ALA 100 Cb 0.17 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 2kmg h ALA 100 CO -0.03 0.27 0.57 -0.07 0.00 0.00 0.00 179.25 179.99 2kmg h LEU 101 N 0.71 0.88 -1.09 0.00 3.38 -0.91 -1.12 115.31 117.16 2kmg h LEU 101 Ca 0.18 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 2kmg h LEU 101 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2kmg h LEU 101 CO -0.02 0.54 -0.40 1.23 0.09 0.00 0.00 178.44 179.87 2kmg h GLY 102 N 1.00 0.11 0.44 0.83 0.00 -1.41 -2.20 103.07 101.84 2kmg h GLY 102 Ca 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 2kmg h GLY 102 CO -0.20 0.09 -0.02 -1.61 0.00 0.00 0.00 176.54 174.79 2kmg h GLN 103 N 0.08 0.03 -0.37 4.80 5.75 -0.80 -3.01 115.11 121.60 2kmg h GLN 103 Ca 0.01 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2kmg h GLN 103 Cb 0.75 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 2kmg h GLN 103 CO 0.06 0.61 0.24 1.25 -2.65 0.00 0.00 178.83 178.34 2kmg h LEU 104 N -0.54 0.41 -0.16 -2.39 7.12 -1.24 0.94 115.31 119.45 2kmg h LEU 104 Ca -0.00 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2kmg h LEU 104 Cb 0.61 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 2kmg h LEU 104 CO 0.01 0.29 0.00 0.00 -0.13 0.00 0.00 178.44 178.61 2kmg n ALA 105 N -2.21 1.34 -0.05 1.25 0.00 -0.83 -1.82 120.51 118.19 2kmg n ALA 105 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kmg n ALA 105 Cb 0.03 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.20 2kmg n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg n ALA 106 N -1.54 2.09 0.29 0.00 0.00 -0.44 -4.34 120.51 116.57 2kmg n ALA 106 Ca 0.02 -0.74 0.17 0.00 0.00 0.00 0.00 53.44 52.88 2kmg n ALA 106 Cb 0.09 -0.32 0.67 0.00 0.00 0.00 0.00 19.45 19.90 2kmg n ALA 106 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kmg h GLU 107 N 0.00 0.00 -4.70 0.00 4.39 -0.08 -3.39 114.58 110.79 2kmg h GLU 107 Ca -0.23 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 58.79 2kmg h GLU 107 Cb 1.42 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 29.72 2kmg h GLU 107 CO 0.01 0.00 -0.68 0.96 -1.16 0.00 0.00 179.01 178.15 2kmg s ILE 108 N -3.63 2.89 -1.36 3.13 -4.36 -1.17 -4.95 121.20 111.75 2kmg s ILE 108 Ca 0.01 -1.69 0.03 0.00 -0.26 0.00 0.00 60.65 58.74 2kmg s ILE 108 Cb 0.09 -2.80 0.12 0.00 1.25 0.00 0.00 42.46 41.12 2kmg s ILE 108 CO 0.52 -0.30 0.87 0.00 0.24 0.00 0.00 174.94 176.27 2kmg n ALA 109 N 4.55 2.62 -0.60 2.27 0.00 -1.26 -4.54 120.51 123.55 2kmg n ALA 109 Ca -0.08 -0.27 -0.30 0.00 0.00 0.00 0.00 53.44 52.79 2kmg n ALA 109 Cb 0.43 -1.01 0.20 0.00 0.00 0.00 0.00 19.45 19.07 2kmg n ALA 109 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kmg n ASP 110 N -0.01 -0.58 -0.00 0.00 8.00 -1.26 -4.95 116.55 117.75 2kmg n ASP 110 Ca 0.04 0.18 0.10 0.00 0.71 0.00 0.00 54.79 55.83 2kmg n ASP 110 Cb 0.27 -1.38 -0.11 0.00 -0.02 0.00 0.00 41.12 39.89 2kmg n ASP 110 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2kmg n THR 111 N -4.53 0.02 -0.09 -3.53 -2.24 -1.26 -4.46 114.28 98.17 2kmg n THR 111 Ca 0.08 -0.15 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 2kmg n THR 111 Cb 0.53 0.65 -0.12 0.00 -2.10 0.00 0.00 70.33 69.30 2kmg n THR 111 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kmg n ASP 112 N -1.73 1.93 -0.30 3.42 8.00 -1.26 -5.00 116.55 121.61 2kmg n ASP 112 Ca 0.02 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2kmg n ASP 112 Cb 0.40 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 2kmg n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmg n ALA 113 N -3.50 0.00 -0.03 2.24 0.00 -1.26 -4.62 120.51 113.34 2kmg n ALA 113 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2kmg n ALA 113 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.14 0.00 0.00 -1.26 -4.43 120.51 111.68 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 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 0.00 0.18 -0.05 0.00 8.00 -1.26 -4.59 116.55 118.83 2kmg n ASP 115 Ca 0.00 -0.51 -0.20 0.00 0.71 0.00 0.00 54.79 54.79 2kmg n ASP 115 Cb 0.00 0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.19 0.00 2.24 0.00 -1.82 -3.34 119.26 116.53 2kmg h ALA 116 Ca 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 54.91 53.81 2kmg h ALA 116 Cb 0.07 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kmg h ALA 116 CO 0.00 0.65 -0.26 1.37 0.00 0.00 0.00 179.25 181.02 2kmg h LEU 117 N -0.68 0.00 -1.87 0.00 8.10 -1.94 -2.35 115.31 116.58 2kmg h LEU 117 Ca -0.27 0.00 0.28 0.00 0.11 0.00 0.00 57.88 58.00 2kmg h LEU 117 Cb 1.46 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.63 2kmg h LEU 117 CO -0.06 0.26 0.70 0.40 -4.11 0.00 0.00 178.44 175.63 2kmg h ILE 118 N 0.00 0.52 -0.66 0.15 1.08 -1.81 0.14 117.51 116.94 2kmg h ILE 118 Ca -0.00 -0.03 0.11 0.00 -0.39 0.00 0.00 64.86 64.54 2kmg h ILE 118 Cb 0.46 0.42 -0.08 0.00 -3.07 0.00 0.00 36.82 34.55 2kmg h ILE 118 CO 0.03 0.02 0.25 0.44 -0.69 0.00 0.00 178.15 178.20 2kmg h ASP 119 N 0.09 0.25 -0.60 1.72 5.19 -1.58 0.74 116.42 122.22 2kmg h ASP 119 Ca 0.49 0.09 0.08 0.00 -0.62 0.00 0.00 57.03 57.07 2kmg h ASP 119 Cb 1.79 0.06 -0.04 0.00 0.18 0.00 0.00 39.33 41.33 2kmg h ASP 119 CO -0.06 0.13 0.40 0.03 -3.12 0.00 0.00 179.24 176.62 2kmg h ARG 120 N 0.43 0.50 -0.08 3.56 -0.00 -0.90 -1.03 114.38 116.85 2kmg h ARG 120 Ca 0.34 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.98 59.74 2kmg h ARG 120 Cb 0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 30.30 2kmg h ARG 120 CO -0.33 0.33 -0.12 -0.92 0.00 0.00 0.00 179.97 178.92 2kmg h TYR 121 N 0.51 0.29 -0.35 3.04 5.03 -0.94 0.39 116.97 124.94 2kmg h TYR 121 Ca 0.27 -0.09 -0.00 0.00 2.58 0.00 0.00 58.73 61.48 2kmg h TYR 121 Cb 0.39 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.60 2kmg h TYR 121 CO -0.00 0.70 0.21 0.45 -1.32 0.00 0.00 178.16 178.20 2kmg h HIS 122 N -0.21 0.44 0.01 -3.82 3.86 -0.60 -0.32 115.15 114.50 2kmg h HIS 122 Ca 0.01 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2kmg h HIS 122 Cb 0.67 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.99 2kmg h HIS 122 CO 0.10 0.29 -0.00 0.74 0.86 0.00 0.00 177.93 179.92 2kmg h PHE 123 N 0.47 -0.01 -0.12 2.45 0.04 -1.18 -3.25 116.94 115.34 2kmg h PHE 123 Ca 0.13 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.94 2kmg h PHE 123 Cb -0.02 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.07 2kmg h PHE 123 CO 0.00 0.79 -0.30 1.25 -0.60 0.00 0.00 178.31 179.45 2kmg h LEU 124 N -0.97 -0.92 -1.00 1.54 6.46 -0.77 -0.33 115.31 119.33 2kmg h LEU 124 Ca -0.00 0.14 0.32 0.00 -0.12 0.00 0.00 57.88 58.21 2kmg h LEU 124 Cb 0.80 0.39 -0.15 0.00 -0.73 0.00 0.00 40.66 40.98 2kmg h LEU 124 CO 0.00 -0.34 0.55 -0.09 -0.62 0.00 0.00 178.44 177.94 2kmg h ARG 125 N -0.38 0.31 -0.62 1.25 2.43 -1.20 0.55 114.38 116.72 2kmg h ARG 125 Ca 0.09 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2kmg h ARG 125 Cb 0.52 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 2kmg h ARG 125 CO -0.33 0.20 0.30 0.78 -1.51 0.00 0.00 179.97 179.41 2kmg h GLY 126 N 0.32 0.93 1.74 2.80 0.00 -1.09 -2.43 103.07 105.34 2kmg h GLY 126 Ca 0.72 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 47.49 2kmg h GLY 126 CO -0.61 0.42 -0.51 -2.75 0.00 0.00 0.00 176.54 173.08 2kmg h PHE 127 N 0.87 0.34 0.00 5.60 3.57 0.33 -2.86 116.94 124.79 2kmg h PHE 127 Ca 0.22 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2kmg h PHE 127 Cb 0.09 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2kmg h PHE 127 CO 0.01 0.74 -0.04 0.00 -2.23 0.00 0.00 178.31 176.78 2kmg h ALA 128 N 1.24 1.46 0.00 2.41 0.00 -0.87 -1.02 119.26 122.49 2kmg h ALA 128 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2kmg h ALA 128 Cb 0.98 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2kmg h ALA 128 CO 0.08 0.05 -0.44 0.00 0.00 0.00 0.00 179.25 178.94 2kmg h ALA 129 N 1.96 0.94 -0.00 0.00 0.00 -1.43 -2.89 119.26 117.84 2kmg h ALA 129 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kmg h ALA 129 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kmg h ALA 129 CO 0.01 0.55 -0.17 0.41 0.00 0.00 0.00 179.25 180.05 2kmg n GLY 130 N 0.36 -1.19 3.77 0.00 0.00 -0.39 -4.65 105.19 103.09 2kmg n GLY 130 Ca -0.00 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.76 2.67 -1.56 1.61 3.76 -1.09 -4.90 115.29 113.02 2kmg s HIS 131 Ca 0.20 1.55 0.11 0.00 -0.15 0.00 0.00 55.06 56.76 2kmg s HIS 131 Cb 0.19 -3.23 0.56 0.00 1.11 0.00 0.00 32.58 31.21 2kmg s HIS 131 CO 0.54 -1.59 1.19 -0.35 -0.85 0.00 0.00 174.74 173.69 2kmg n PRO 132 N -1.76 0.19 -1.00 8.40 -0.04 -1.26 -1.75 135.00 137.78 2kmg n PRO 132 Ca 0.11 0.14 0.04 0.00 -0.04 0.00 0.00 63.50 63.75 2kmg n PRO 132 Cb 0.51 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.54 2kmg n PRO 132 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kmg n GLU 133 N -1.22 0.44 -0.33 0.54 -0.58 -1.26 -4.88 120.64 113.35 2kmg n GLU 133 Ca 0.06 -2.14 0.22 0.00 -0.42 0.00 0.00 57.16 54.88 2kmg n GLU 133 Cb 0.07 -0.56 0.43 0.00 -0.57 0.00 0.00 31.44 30.81 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 0.73 1.67 -0.45 0.62 0.00 -1.44 0.64 119.26 121.04 2kmg h ALA 134 Ca -0.12 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kmg h ALA 134 Cb 1.54 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 2kmg h ALA 134 CO 0.05 -0.70 0.28 0.00 0.00 0.00 0.00 179.25 178.88 2kmg h ALA 135 N 1.94 0.57 -0.43 0.00 0.00 -1.86 0.51 119.26 119.99 2kmg h ALA 135 Ca 0.71 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.50 2kmg h ALA 135 Cb 1.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2kmg h ALA 135 CO -0.78 0.04 -0.02 0.00 0.00 0.00 0.00 179.25 178.49 2kmg h ALA 136 N 1.14 1.16 0.00 0.00 0.00 -0.17 -1.82 119.26 119.57 2kmg h ALA 136 Ca 0.16 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 2kmg h ALA 136 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2kmg h ALA 136 CO -0.03 0.54 -0.68 0.82 0.00 0.00 0.00 179.25 179.90 2kmg h ILE 137 N 0.66 1.26 -0.10 0.00 2.04 -0.74 -2.59 117.51 118.05 2kmg h ILE 137 Ca 0.13 -2.55 -0.04 0.00 1.00 0.00 0.00 64.86 63.40 2kmg h ILE 137 Cb 0.44 2.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2kmg h ILE 137 CO 0.02 0.67 -0.10 0.22 0.00 0.00 0.00 178.15 178.96 2kmg h TYR 138 N 0.00 0.29 0.00 1.37 5.03 0.51 -2.62 116.97 121.55 2kmg h TYR 138 Ca -0.01 -0.09 -0.12 0.00 2.58 0.00 0.00 58.73 61.10 2kmg h TYR 138 Cb 1.42 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 39.62 2kmg h TYR 138 CO 0.00 0.67 -0.56 0.07 -1.32 0.00 0.00 178.16 177.02 2kmg h ARG 139 N -0.17 0.00 -0.39 1.82 0.11 -1.44 0.29 114.38 114.61 2kmg h ARG 139 Ca 0.02 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.00 2kmg h ARG 139 Cb 0.62 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.69 2kmg h ARG 139 CO 0.03 0.56 -0.16 0.00 0.10 0.00 0.00 179.97 180.49 2kmg h ALA 140 N 1.44 0.99 0.00 0.08 0.00 -1.46 -2.91 119.26 117.40 2kmg h ALA 140 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kmg h ALA 140 Cb 1.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kmg h ALA 140 CO 0.07 0.60 -1.07 0.44 0.00 0.00 0.00 179.25 179.29 2kmg n ILE 141 N -4.14 0.21 0.27 0.00 -5.35 -0.99 -4.64 119.36 104.72 2kmg n ILE 141 Ca 0.01 -0.29 0.02 0.00 -0.27 0.00 0.00 62.75 62.22 2kmg n ILE 141 Cb 0.39 0.13 0.13 0.00 -1.74 0.00 0.00 39.64 38.54 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12