#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmg h ASN 2 N 0.00 -0.36 -0.00 6.12 -0.00 -2.05 -3.40 115.58 115.89 2kmg h ASN 2 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2kmg h ASN 2 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 2kmg h ASN 2 CO 0.00 0.10 0.00 0.35 -0.00 0.00 0.00 177.43 177.88 2kmg n THR 3 N -5.06 0.26 1.83 -3.57 -2.24 -1.26 -4.59 114.28 99.66 2kmg n THR 3 Ca -0.05 -0.63 0.13 0.00 -2.27 0.00 0.00 64.05 61.23 2kmg n THR 3 Cb 0.17 0.88 0.70 0.00 -2.10 0.00 0.00 70.33 69.98 2kmg n THR 3 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kmg n GLU 4 N -0.10 1.19 -3.76 -0.78 -0.58 -1.26 -4.83 120.64 110.51 2kmg n GLU 4 Ca 0.00 -0.28 -0.33 0.00 -0.42 0.00 0.00 57.16 56.14 2kmg n GLU 4 Cb 0.07 -1.42 -0.05 0.00 -0.57 0.00 0.00 31.44 29.47 2kmg n GLU 4 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2kmg s GLU 5 N -1.98 3.57 0.08 3.49 -1.05 -1.26 -4.51 118.70 117.04 2kmg s GLU 5 Ca 0.39 -0.15 0.09 0.00 -0.15 0.00 0.00 54.97 55.15 2kmg s GLU 5 Cb 0.19 -3.00 -0.03 0.00 -0.44 0.00 0.00 34.13 30.85 2kmg s GLU 5 CO 0.31 0.58 -0.24 1.14 0.95 0.00 0.00 175.26 178.00 2kmg s GLN 6 N -2.20 1.45 0.00 -4.83 -2.07 -1.26 -5.01 119.66 105.75 2kmg s GLN 6 Ca 0.33 -1.16 0.06 0.00 -1.82 0.00 0.00 55.36 52.78 2kmg s GLN 6 Cb -0.13 -1.73 0.38 0.00 -1.09 0.00 0.00 33.01 30.43 2kmg s GLN 6 CO 0.21 0.43 0.79 -2.30 -1.32 0.00 0.00 175.29 173.10 2kmg n PRO 7 N 1.38 0.39 -3.69 9.60 -0.02 -1.26 -4.65 135.00 136.75 2kmg n PRO 7 Ca -0.18 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.95 2kmg n PRO 7 Cb 0.53 -1.25 -0.08 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 5.38 -0.09 -1.45 1.01 -1.26 -4.99 120.40 117.00 2kmg s VAL 8 Ca 0.09 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 2kmg s VAL 8 Cb 0.04 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2kmg s VAL 8 CO 0.07 0.41 0.26 0.42 0.00 0.00 0.00 175.10 176.26 2kmg s THR 9 N 0.56 0.01 0.95 3.92 -4.23 -1.26 -4.90 115.64 110.69 2kmg s THR 9 Ca 0.09 -0.05 -0.16 0.00 -1.18 0.00 0.00 61.69 60.39 2kmg s THR 9 Cb -0.12 -0.39 0.19 0.00 1.34 0.00 0.00 72.50 73.52 2kmg s THR 9 CO 0.00 -0.03 1.30 0.00 -0.54 0.00 0.00 174.62 175.35 2kmg s ALA 10 N 0.00 2.23 0.06 3.99 0.00 -1.26 -3.21 121.76 123.57 2kmg s ALA 10 Ca -0.01 -1.13 -0.21 0.00 0.00 0.00 0.00 51.96 50.61 2kmg s ALA 10 Cb -0.02 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.34 2kmg s ALA 10 CO 0.01 -2.39 0.48 0.45 0.00 0.00 0.00 175.76 174.31 2kmg s SER 11 N -4.82 -0.39 -0.29 0.00 0.15 -0.96 -4.88 113.70 102.51 2kmg s SER 11 Ca 0.73 0.07 -0.21 0.00 0.70 0.00 0.00 55.95 57.23 2kmg s SER 11 Cb -0.05 0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 64.73 2kmg s SER 11 CO 0.53 -0.74 0.67 -0.22 1.20 0.00 0.00 173.24 174.68 2kmg s LEU 12 N -2.12 4.12 0.60 3.45 2.96 -1.26 -0.60 118.68 125.82 2kmg s LEU 12 Ca -0.04 0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 54.29 2kmg s LEU 12 Cb -0.00 -2.88 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 2kmg s LEU 12 CO -0.04 -0.48 1.02 -0.69 -1.32 0.00 0.00 176.35 174.84 2kmg s VAL 13 N 2.66 4.51 0.92 1.68 1.01 -1.18 -4.98 120.40 125.03 2kmg s VAL 13 Ca 0.27 0.95 -0.11 0.00 0.00 0.00 0.00 61.98 63.09 2kmg s VAL 13 Cb -0.15 -3.73 0.10 0.00 0.00 0.00 0.00 36.38 32.60 2kmg s VAL 13 CO 0.11 -0.93 0.88 0.00 0.00 0.00 0.00 175.10 175.16 2kmg n ALA 14 N -2.39 -1.42 0.11 5.51 0.00 -1.26 -4.71 120.51 116.35 2kmg n ALA 14 Ca 0.07 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 52.90 2kmg n ALA 14 Cb 0.54 -2.06 0.07 0.00 0.00 0.00 0.00 19.45 18.00 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 -1.72 0.07 -0.03 0.00 4.11 -1.99 0.17 114.58 115.18 2kmg h GLU 15 Ca -0.43 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2kmg h GLU 15 Cb 1.28 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2kmg h GLU 15 CO 0.39 0.78 0.00 0.00 0.07 0.00 0.00 179.01 180.24 2kmg n ALA 16 N -2.42 2.53 0.00 1.06 0.00 -1.26 -4.06 120.51 116.36 2kmg n ALA 16 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2kmg n ALA 16 Cb 0.72 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 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 0.65 0.83 0.21 0.00 1.13 -1.16 -4.65 117.38 114.39 2kmg n GLN 17 Ca 0.17 -0.01 0.06 0.00 -1.94 0.00 0.00 57.00 55.28 2kmg n GLN 17 Cb 0.45 -0.96 0.45 0.00 0.11 0.00 0.00 30.24 30.29 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 -0.81 0.08 114.38 112.67 2kmg h ARG 18 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2kmg h ARG 18 Cb 0.04 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.11 2kmg h ARG 18 CO 0.00 0.29 -0.15 1.37 0.10 0.00 0.00 179.97 181.58 2kmg h LEU 19 N 0.00 0.00 0.00 0.08 -0.00 -1.82 -3.05 115.31 110.52 2kmg h LEU 19 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kmg h LEU 19 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2kmg h LEU 19 CO 0.04 0.15 -1.25 -0.67 -0.00 0.00 0.00 178.44 176.71 2kmg n ASP 20 N -3.17 0.55 -0.14 0.17 2.03 -0.85 -4.18 116.55 110.95 2kmg n ASP 20 Ca 0.02 -0.25 -0.06 0.00 0.52 0.00 0.00 54.79 55.02 2kmg n ASP 20 Cb 0.53 1.08 0.11 0.00 -0.72 0.00 0.00 41.12 42.12 2kmg n ASP 20 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2kmg h PHE 21 N 0.00 0.96 0.68 -0.67 3.57 -0.88 -0.31 116.94 120.30 2kmg h PHE 21 Ca 0.00 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 2kmg h PHE 21 Cb 0.77 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.26 2kmg h PHE 21 CO 0.00 0.88 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.56 2kmg h LEU 22 N 0.82 -0.78 -2.02 0.59 -0.00 -1.72 -2.10 115.31 110.10 2kmg h LEU 22 Ca 0.15 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 2kmg h LEU 22 Cb 0.52 0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 2kmg h LEU 22 CO 0.03 -0.54 0.00 1.55 -0.00 0.00 0.00 178.44 179.47 2kmg h PRO 23 N -0.94 0.00 0.20 1.13 0.13 -1.67 0.34 132.00 131.20 2kmg h PRO 23 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 2kmg h PRO 23 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2kmg h PRO 23 CO 0.15 0.00 -0.10 1.15 -0.23 0.00 0.00 178.00 178.98 2kmg h THR 24 N 0.00 0.88 0.00 1.56 2.02 -0.41 -3.20 112.91 113.76 2kmg h THR 24 Ca 0.00 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2kmg h THR 24 Cb 0.23 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2kmg h THR 24 CO 0.00 0.10 -0.12 0.00 0.37 0.00 0.00 175.52 175.87 2kmg n TYR 25 N -5.11 0.00 -0.24 3.16 9.36 -0.87 -4.68 117.16 118.78 2kmg n TYR 25 Ca -0.09 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.14 2kmg n TYR 25 Cb 0.21 -0.06 0.09 0.00 -0.63 0.00 0.00 39.34 38.95 2kmg n TYR 25 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2kmg h PHE 26 N -0.12 -0.28 0.00 2.98 -1.00 -0.67 -3.48 116.94 114.37 2kmg h PHE 26 Ca 0.00 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.84 2kmg h PHE 26 Cb 0.12 0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.91 2kmg h PHE 26 CO -0.05 -0.28 0.00 0.41 -1.61 0.00 0.00 178.31 176.78 2kmg n GLY 27 N -1.45 3.18 0.00 -1.45 0.00 0.47 -4.30 105.19 101.63 2kmg n GLY 27 Ca 0.10 -1.85 0.02 0.00 0.00 0.00 0.00 46.02 44.28 2kmg n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kmg n PRO 28 N -0.61 0.02 -0.14 1.61 -0.04 -1.25 -1.90 135.00 132.69 2kmg n PRO 28 Ca 0.00 0.37 -0.28 0.00 -0.04 0.00 0.00 63.50 63.56 2kmg n PRO 28 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2kmg n PRO 28 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2kmg n ARG 29 N -1.42 0.60 -0.07 0.54 3.00 -1.26 -4.54 116.66 113.51 2kmg n ARG 29 Ca 0.01 0.24 -0.00 0.00 -0.00 0.00 0.00 57.85 58.10 2kmg n ARG 29 Cb 0.04 -1.49 0.28 0.00 0.00 0.00 0.00 32.46 31.29 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 -0.81 0.62 -1.81 6.15 3.38 -1.67 -3.00 115.31 118.17 2kmg h LEU 30 Ca -0.68 -0.08 0.53 0.00 0.09 0.00 0.00 57.88 57.73 2kmg h LEU 30 Cb 1.67 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.18 2kmg h LEU 30 CO -0.37 0.59 1.34 1.15 0.09 0.00 0.00 178.44 181.24 2kmg n MET 31 N -4.33 0.00 -0.11 1.13 0.00 -0.80 0.17 117.12 113.18 2kmg n MET 31 Ca 0.03 1.02 -0.16 0.00 0.00 0.00 0.00 57.70 58.59 2kmg n MET 31 Cb 0.18 -2.38 -0.10 0.00 0.00 0.00 0.00 33.22 30.92 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 -3.77 0.53 0.00 3.17 0.00 -1.14 -3.76 117.12 112.15 2kmg n MET 32 Ca 0.41 0.14 0.15 0.00 0.00 0.00 0.00 57.70 58.40 2kmg n MET 32 Cb 1.89 -1.41 0.85 0.00 0.00 0.00 0.00 33.22 34.54 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 -3.27 1.05 -0.07 3.17 1.85 -0.08 -2.85 116.66 116.46 2kmg n ARG 33 Ca -0.39 -0.17 -0.14 0.00 -1.00 0.00 0.00 57.85 56.15 2kmg n ARG 33 Cb 0.89 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.76 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 1.07 -0.22 0.25 2.89 0.00 0.45 -4.24 105.19 105.40 2kmg n GLY 34 Ca 0.22 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.20 2kmg n GLY 34 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kmg h GLU 35 N -0.47 0.27 0.00 1.61 4.39 -1.66 -0.88 114.58 117.83 2kmg h GLU 35 Ca -0.34 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.26 2kmg h GLU 35 Cb 1.30 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 2kmg h GLU 35 CO -0.20 0.34 -0.25 0.00 -1.16 0.00 0.00 179.01 177.73 2kmg h ALA 36 N 1.69 1.02 0.10 3.43 0.00 -1.78 -2.80 119.26 120.93 2kmg h ALA 36 Ca 0.06 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 2kmg h ALA 36 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kmg h ALA 36 CO 0.01 0.31 -1.18 1.25 0.00 0.00 0.00 179.25 179.64 2kmg h LEU 37 N 0.00 0.45 -0.25 0.00 5.85 -1.35 -2.29 115.31 117.73 2kmg h LEU 37 Ca -0.00 -0.46 -0.20 0.00 0.84 0.00 0.00 57.88 58.06 2kmg h LEU 37 Cb 0.77 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2kmg h LEU 37 CO 0.03 1.33 -0.68 -0.37 -0.34 0.00 0.00 178.44 178.42 2kmg h VAL 38 N 0.11 1.28 0.00 1.05 -1.51 -1.34 -3.08 116.25 112.76 2kmg h VAL 38 Ca -0.12 -1.88 -0.09 0.00 -1.23 0.00 0.00 66.70 63.38 2kmg h VAL 38 Cb 1.89 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 32.87 2kmg h VAL 38 CO 0.20 0.60 -0.43 0.10 -1.23 0.00 0.00 177.57 176.80 2kmg h TYR 39 N 0.57 0.00 -0.84 5.19 -0.00 -1.60 -2.90 116.97 117.39 2kmg h TYR 39 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.70 2kmg h TYR 39 Cb 1.29 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.98 2kmg h TYR 39 CO 0.08 0.43 0.48 0.00 -0.00 0.00 0.00 178.16 179.15 2kmg h ALA 40 N 1.57 1.28 0.04 0.10 0.00 -1.32 0.28 119.26 121.20 2kmg h ALA 40 Ca -0.00 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 2kmg h ALA 40 Cb 1.18 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2kmg h ALA 40 CO 0.06 0.60 -1.19 -1.49 0.00 0.00 0.00 179.25 177.23 2kmg h TRP 41 N 1.16 0.15 -0.20 0.00 4.06 -1.55 -3.22 115.95 116.34 2kmg h TRP 41 Ca 0.30 -0.11 -0.11 0.00 2.06 0.00 0.00 58.89 61.03 2kmg h TRP 41 Cb -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 2kmg h TRP 41 CO 0.01 1.10 -0.37 1.98 -3.56 0.00 0.00 178.44 177.60 2kmg h MET 42 N 0.02 0.44 0.00 0.49 4.05 -1.24 -2.72 114.93 115.98 2kmg h MET 42 Ca -0.09 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 2kmg h MET 42 Cb 1.87 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.66 2kmg h MET 42 CO 0.14 0.74 0.00 0.07 0.23 0.00 0.00 176.91 178.10 2kmg h ARG 43 N 0.37 0.00 0.01 0.39 -0.00 -1.04 -3.32 114.38 110.79 2kmg h ARG 43 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.02 2kmg h ARG 43 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.78 2kmg h ARG 43 CO 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 179.97 180.03 2kmg h ARG 44 N 0.00 -0.02 -0.47 0.08 3.08 -1.50 -3.30 114.38 112.25 2kmg h ARG 44 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 2kmg h ARG 44 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 2kmg h ARG 44 CO 0.00 0.54 0.84 -0.07 -1.07 0.00 0.00 179.97 180.21 2kmg h LEU 45 N -0.99 0.00 -8.48 3.04 3.38 -1.59 -3.38 115.31 107.29 2kmg h LEU 45 Ca -0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 2kmg h LEU 45 Cb 0.56 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.00 2kmg h LEU 45 CO 0.00 0.00 -0.87 0.00 0.09 0.00 0.00 178.44 177.66 2kmg h GLU 47 N 5.79 0.00 -1.93 0.00 9.09 -1.81 -3.31 114.58 122.40 2kmg h GLU 47 Ca -0.37 0.00 -0.66 0.00 0.05 0.00 0.00 59.36 58.37 2kmg h GLU 47 Cb 1.15 0.00 -0.36 0.00 -1.65 0.00 0.00 28.75 27.88 2kmg h GLU 47 CO 0.47 0.65 -0.04 0.54 0.05 0.00 0.00 179.01 180.69 2kmg n ARG 48 N -3.26 3.54 -3.96 1.06 1.74 -1.26 -4.96 116.66 109.57 2kmg n ARG 48 Ca 0.01 -4.41 -0.33 0.00 -0.77 0.00 0.00 57.85 52.36 2kmg n ARG 48 Cb 0.80 -2.29 -0.14 0.00 -1.02 0.00 0.00 32.46 29.82 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 -3.77 3.59 -0.06 -1.55 6.14 -1.25 -4.94 117.35 115.51 2kmg s TYR 49 Ca 0.48 -2.63 0.13 0.00 0.64 0.00 0.00 57.07 55.70 2kmg s TYR 49 Cb 0.35 -2.75 -0.22 0.00 0.42 0.00 0.00 41.96 39.76 2kmg s TYR 49 CO -0.22 -0.93 0.67 0.09 0.64 0.00 0.00 175.55 175.81 2kmg n ASN 50 N 4.40 0.84 0.00 4.32 3.02 -1.26 -4.83 115.26 121.76 2kmg n ASN 50 Ca -0.02 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 2kmg n ASN 50 Cb 0.42 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 2kmg n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kmg n GLY 51 N 1.53 -0.08 3.75 7.41 0.00 -1.26 -5.10 105.19 111.44 2kmg n GLY 51 Ca -0.16 -1.44 -0.01 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.81 -1.90 -0.94 4.61 0.00 -1.26 -4.95 121.76 115.51 2kmg s ALA 52 Ca 0.00 0.22 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 2kmg s ALA 52 Cb 0.00 0.59 0.12 0.00 0.00 0.00 0.00 23.12 23.83 2kmg s ALA 52 CO 0.00 -1.06 1.18 0.71 0.00 0.00 0.00 175.76 176.59 2kmg s TYR 53 N -2.68 3.03 -1.15 0.00 2.02 -1.26 -4.72 117.35 112.59 2kmg s TYR 53 Ca 0.16 -1.31 -0.23 0.00 -0.37 0.00 0.00 57.07 55.33 2kmg s TYR 53 Cb 0.01 -4.35 -0.10 0.00 -0.40 0.00 0.00 41.96 37.12 2kmg s TYR 53 CO 0.01 -1.56 1.94 0.91 -1.57 0.00 0.00 175.55 175.28 2kmg n TRP 54 N 6.92 2.58 -1.61 2.71 8.01 -1.26 -1.90 117.44 132.88 2kmg n TRP 54 Ca 0.25 -1.43 -0.51 0.00 -1.31 0.00 0.00 57.50 54.51 2kmg n TRP 54 Cb 0.49 -2.55 -0.06 0.00 -2.01 0.00 0.00 31.31 27.19 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 14.12 1.65 -2.81 -5.99 8.25 -0.07 -4.38 115.22 126.00 2kmg n HIS 55 Ca 0.45 0.57 -0.41 0.00 -0.26 0.00 0.00 57.72 58.07 2kmg n HIS 55 Cb 0.46 -2.37 -0.03 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 0.53 3.64 -0.03 4.41 2.02 -1.26 -1.83 117.35 124.83 2kmg s TYR 56 Ca 0.83 1.57 0.06 0.00 -0.37 0.00 0.00 57.07 59.16 2kmg s TYR 56 Cb -0.90 -3.03 -0.02 0.00 -0.40 0.00 0.00 41.96 37.61 2kmg s TYR 56 CO 0.45 0.02 -0.22 0.71 -1.57 0.00 0.00 175.55 174.94 2kmg s TYR 57 N 0.95 2.47 -0.43 2.71 2.02 -0.21 -3.13 117.35 121.74 2kmg s TYR 57 Ca 0.48 -0.33 -0.09 0.00 -0.37 0.00 0.00 57.07 56.75 2kmg s TYR 57 Cb -0.20 -1.54 0.09 0.00 -0.40 0.00 0.00 41.96 39.90 2kmg s TYR 57 CO 0.25 0.05 0.28 0.00 -1.57 0.00 0.00 175.55 174.56 2kmg s ALA 58 N -0.66 3.32 0.42 3.71 0.00 0.23 -2.57 121.76 126.20 2kmg s ALA 58 Ca 0.11 -2.23 -0.20 0.00 0.00 0.00 0.00 51.96 49.64 2kmg s ALA 58 Cb -0.10 -2.69 -0.11 0.00 0.00 0.00 0.00 23.12 20.22 2kmg s ALA 58 CO -0.00 -1.70 0.92 -0.51 0.00 0.00 0.00 175.76 174.46 2kmg s LEU 59 N 1.42 3.95 0.48 0.00 1.43 -1.26 -2.27 118.68 122.42 2kmg s LEU 59 Ca 0.04 1.62 0.22 0.00 -1.03 0.00 0.00 54.13 54.98 2kmg s LEU 59 Cb -0.24 -4.47 1.20 0.00 0.03 0.00 0.00 46.19 42.72 2kmg s LEU 59 CO 0.02 -0.34 1.99 0.77 0.23 0.00 0.00 176.35 179.01 2kmg h SER 60 N 1.93 0.00 1.28 2.29 4.64 -1.92 -2.05 113.55 119.71 2kmg h SER 60 Ca -0.49 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.77 2kmg h SER 60 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2kmg h SER 60 CO 0.62 0.18 -0.30 0.44 -0.87 0.00 0.00 176.83 176.90 2kmg h ASP 61 N 0.00 0.00 0.00 4.97 3.32 -1.93 -3.47 116.42 119.31 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 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2kmg h ASP 61 CO 0.02 0.30 0.00 0.61 -1.72 0.00 0.00 179.24 178.45 2kmg n GLY 62 N 0.68 0.93 0.10 2.75 0.00 -0.77 -4.99 105.19 103.88 2kmg n GLY 62 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 0.20 -3.23 -0.02 0.00 -1.83 -3.48 103.07 94.71 2kmg h GLY 63 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2kmg h GLY 63 CO 0.00 0.30 -0.75 0.69 0.00 0.00 0.00 176.54 176.78 2kmg n PHE 64 N -4.51 -3.80 -4.10 5.60 3.72 -1.26 -4.95 117.46 108.17 2kmg n PHE 64 Ca -0.10 1.98 -0.09 0.00 -0.05 0.00 0.00 57.45 59.19 2kmg n PHE 64 Cb 0.50 -3.22 -0.10 0.00 -0.94 0.00 0.00 39.48 35.71 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2kmg s TYR 65 N -1.83 0.63 -0.00 1.38 1.13 -1.06 -4.95 117.35 112.64 2kmg s TYR 65 Ca 0.00 -0.88 0.03 0.00 -1.41 0.00 0.00 57.07 54.81 2kmg s TYR 65 Cb 0.00 -0.41 -0.03 0.00 -1.10 0.00 0.00 41.96 40.42 2kmg s TYR 65 CO 0.00 -0.24 -0.05 -1.64 -2.51 0.00 0.00 175.55 171.10 2kmg s MET 66 N -3.29 2.62 -0.15 -3.49 -1.94 -1.26 -1.04 119.30 110.75 2kmg s MET 66 Ca 0.04 -0.68 -0.03 0.00 -1.71 0.00 0.00 55.69 53.30 2kmg s MET 66 Cb 0.03 -2.54 0.05 0.00 2.01 0.00 0.00 34.83 34.37 2kmg s MET 66 CO -0.06 0.61 0.06 0.00 -0.01 0.00 0.00 175.02 175.62 2kmg s ALA 67 N -1.00 0.60 1.06 3.03 0.00 -0.76 -4.36 121.76 120.33 2kmg s ALA 67 Ca 0.17 -0.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 2kmg s ALA 67 Cb -0.11 -0.98 0.11 0.00 0.00 0.00 0.00 23.12 22.14 2kmg s ALA 67 CO 0.07 -0.98 0.35 -2.30 0.00 0.00 0.00 175.76 172.91 2kmg n PRO 68 N 5.20 -1.23 -3.60 0.00 -0.02 -1.22 -0.89 135.00 133.24 2kmg n PRO 68 Ca -0.07 -0.33 -0.27 0.00 -2.02 0.00 0.00 63.50 60.81 2kmg n PRO 68 Cb 0.49 -1.86 -0.11 0.00 -0.02 0.00 0.00 33.50 32.00 2kmg n PRO 68 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2kmg n ASP 69 N -2.19 1.23 -4.95 2.55 2.03 -0.80 -4.07 116.55 110.35 2kmg n ASP 69 Ca 0.04 -2.79 -0.23 0.00 0.52 0.00 0.00 54.79 52.32 2kmg n ASP 69 Cb 0.58 -0.65 0.02 0.00 -0.72 0.00 0.00 41.12 40.34 2kmg n ASP 69 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kmg s LEU 70 N -0.77 2.93 0.00 -2.67 1.43 -1.26 -4.22 118.68 114.13 2kmg s LEU 70 Ca 0.30 -1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 52.30 2kmg s LEU 70 Cb 0.02 -1.47 0.09 0.00 0.03 0.00 0.00 46.19 44.86 2kmg s LEU 70 CO -0.18 -1.14 0.21 0.00 0.23 0.00 0.00 176.35 175.48 2kmg n ALA 71 N -1.92 -1.30 -2.40 4.21 0.00 -1.26 -4.77 120.51 113.07 2kmg n ALA 71 Ca 0.05 -0.38 -0.39 0.00 0.00 0.00 0.00 53.44 52.72 2kmg n ALA 71 Cb 0.63 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.99 2kmg n ALA 71 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kmg s GLY 72 N -1.63 2.71 -0.07 0.00 0.00 -1.26 -4.64 107.32 102.42 2kmg s GLY 72 Ca 0.16 0.16 -0.05 0.00 0.00 0.00 0.00 44.72 44.99 2kmg s GLY 72 CO 0.14 0.89 0.10 0.54 0.00 0.00 0.00 173.10 174.76 2kmg n ARG 73 N 2.63 -2.68 -4.82 2.90 1.74 -1.26 -5.02 116.66 110.14 2kmg n ARG 73 Ca -0.05 2.15 -0.26 0.00 -0.77 0.00 0.00 57.85 58.92 2kmg n ARG 73 Cb 0.50 -2.61 -0.16 0.00 -1.02 0.00 0.00 32.46 29.18 2kmg n ARG 73 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2kmg s LEU 74 N -0.28 1.91 -0.26 0.55 2.34 -1.03 -4.94 118.68 116.98 2kmg s LEU 74 Ca -0.12 -0.35 -0.29 0.00 0.06 0.00 0.00 54.13 53.44 2kmg s LEU 74 Cb 0.01 -0.96 -0.03 0.00 -0.56 0.00 0.00 46.19 44.65 2kmg s LEU 74 CO 0.31 0.15 1.77 -1.83 -1.06 0.00 0.00 176.35 175.69 2kmg s GLU 75 N 0.04 3.54 -0.27 1.48 -1.05 -1.26 -0.79 118.70 120.38 2kmg s GLU 75 Ca -0.04 1.63 0.01 0.00 -0.15 0.00 0.00 54.97 56.42 2kmg s GLU 75 Cb -0.11 -4.15 0.07 0.00 -0.44 0.00 0.00 34.13 29.50 2kmg s GLU 75 CO 0.02 -1.61 -0.01 0.42 0.95 0.00 0.00 175.26 175.03 2kmg s ILE 76 N 6.22 1.64 -0.12 1.83 -1.09 -1.05 -4.70 121.20 123.94 2kmg s ILE 76 Ca 0.79 -1.52 -0.20 0.00 -2.23 0.00 0.00 60.65 57.49 2kmg s ILE 76 Cb -0.25 -2.00 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 2kmg s ILE 76 CO 0.33 -0.29 0.56 -1.61 -1.23 0.00 0.00 174.94 172.70 2kmg s GLU 77 N 1.30 4.35 -0.45 2.79 2.02 0.90 -3.75 118.70 125.86 2kmg s GLU 77 Ca -0.00 0.59 -0.11 0.00 0.02 0.00 0.00 54.97 55.47 2kmg s GLU 77 Cb -0.19 -3.46 0.08 0.00 0.10 0.00 0.00 34.13 30.66 2kmg s GLU 77 CO -0.09 0.07 0.32 0.14 0.02 0.00 0.00 175.26 175.72 2kmg s VAL 78 N 0.87 4.58 0.40 2.63 -7.23 -1.00 -4.14 120.40 116.50 2kmg s VAL 78 Ca 0.30 -1.35 0.09 0.00 -1.81 0.00 0.00 61.98 59.21 2kmg s VAL 78 Cb -0.16 -3.81 0.20 0.00 0.56 0.00 0.00 36.38 33.17 2kmg s VAL 78 CO 0.13 -0.58 1.98 0.78 -0.31 0.00 0.00 175.10 177.10 2kmg h ASN 79 N 8.54 0.29 -1.30 4.85 2.35 -1.92 0.56 115.58 128.94 2kmg h ASN 79 Ca -0.25 -0.04 0.43 0.00 -0.55 0.00 0.00 56.30 55.89 2kmg h ASN 79 Cb 1.09 -0.08 -0.13 0.00 0.05 0.00 0.00 38.32 39.26 2kmg h ASN 79 CO 0.82 0.35 0.84 1.23 -1.65 0.00 0.00 177.43 179.01 2kmg h GLY 80 N 0.61 1.31 -0.62 2.83 0.00 -1.91 -2.43 103.07 102.86 2kmg h GLY 80 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2kmg h GLY 80 CO 0.00 -0.39 -0.28 1.16 0.00 0.00 0.00 176.54 177.04 2kmg n ASN 81 N -4.70 0.00 -2.55 0.19 0.23 -1.02 -4.93 115.26 102.48 2kmg n ASN 81 Ca 0.37 -1.55 -0.17 0.00 -0.53 0.00 0.00 54.58 52.69 2kmg n ASN 81 Cb 1.40 -0.11 -0.00 0.00 -2.08 0.00 0.00 39.78 38.99 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 -0.50 3.44 4.83 0.00 0.19 -4.92 105.19 108.23 2kmg n GLY 82 Ca 0.00 0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.86 2.92 -0.30 1.61 5.36 -0.81 -4.91 117.98 118.98 2kmg s PHE 83 Ca 0.06 -0.55 -0.23 0.00 -0.96 0.00 0.00 56.93 55.26 2kmg s PHE 83 Cb -0.03 -3.89 -0.00 0.00 -0.34 0.00 0.00 43.02 38.76 2kmg s PHE 83 CO 0.07 -1.27 0.74 0.50 -1.46 0.00 0.00 175.22 173.80 2kmg s ARG 84 N 3.16 3.95 -0.27 10.12 3.52 -1.26 -2.39 118.95 135.79 2kmg s ARG 84 Ca 0.18 0.52 -0.26 0.00 -0.13 0.00 0.00 55.73 56.04 2kmg s ARG 84 Cb -0.19 -3.72 0.16 0.00 -1.56 0.00 0.00 34.95 29.64 2kmg s ARG 84 CO 0.12 -0.64 1.23 0.20 -0.81 0.00 0.00 175.30 175.39 2kmg s GLY 85 N 1.61 0.06 -0.07 8.12 0.00 -1.25 -5.04 107.32 110.75 2kmg s GLY 85 Ca 0.30 2.92 -0.30 0.00 0.00 0.00 0.00 44.72 47.65 2kmg s GLY 85 CO 0.12 1.65 1.07 -0.54 0.00 0.00 0.00 173.10 175.41 2kmg s GLU 86 N -0.22 4.41 0.22 2.90 2.02 -1.26 -2.53 118.70 124.24 2kmg s GLU 86 Ca 0.05 1.50 0.03 0.00 0.02 0.00 0.00 54.97 56.56 2kmg s GLU 86 Cb -0.04 -3.53 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 2kmg s GLU 86 CO -0.09 -0.33 0.01 -1.17 0.02 0.00 0.00 175.26 173.71 2kmg s LEU 87 N 1.93 2.09 0.41 1.80 2.96 0.03 -4.80 118.68 123.10 2kmg s LEU 87 Ca 0.51 -1.23 -0.22 0.00 -0.22 0.00 0.00 54.13 52.97 2kmg s LEU 87 Cb -0.21 -0.16 -0.10 0.00 0.50 0.00 0.00 46.19 46.22 2kmg s LEU 87 CO 0.21 -0.56 0.97 -0.55 -1.32 0.00 0.00 176.35 175.10 2kmg s SER 88 N -3.27 6.92 0.63 3.68 0.15 -1.26 -2.46 113.70 118.09 2kmg s SER 88 Ca 0.28 1.79 0.31 0.00 0.70 0.00 0.00 55.95 59.04 2kmg s SER 88 Cb 0.06 -2.56 1.72 0.00 -1.71 0.00 0.00 66.02 63.53 2kmg s SER 88 CO 0.08 -0.37 2.03 0.00 1.20 0.00 0.00 173.24 176.18 2kmg h ALA 89 N 2.18 1.59 0.02 5.45 0.00 -1.84 0.14 119.26 126.81 2kmg h ALA 89 Ca -0.49 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kmg h ALA 89 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kmg h ALA 89 CO 0.62 -0.35 -0.01 0.22 0.00 0.00 0.00 179.25 179.73 2kmg h ASP 90 N 0.00 -0.03 0.42 0.00 3.58 -1.90 -1.19 116.42 117.30 2kmg h ASP 90 Ca 0.07 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2kmg h ASP 90 Cb 0.61 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2kmg h ASP 90 CO -0.00 0.60 0.00 0.00 -2.88 0.00 0.00 179.24 176.96 2kmg n ALA 91 N -2.73 1.42 -0.06 -0.78 0.00 -0.86 -1.94 120.51 115.56 2kmg n ALA 91 Ca -0.03 0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 2kmg n ALA 91 Cb 0.14 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.71 1.40 0.29 0.00 0.00 0.43 -4.00 120.51 116.93 2kmg n ALA 92 Ca 0.01 -1.01 0.19 0.00 0.00 0.00 0.00 53.44 52.63 2kmg n ALA 92 Cb 0.14 -0.46 0.97 0.00 0.00 0.00 0.00 19.45 20.10 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 3.11 0.00 1.10 0.00 0.00 -0.53 -0.88 103.07 105.87 2kmg h GLY 93 Ca -0.45 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 2kmg h GLY 93 CO 0.04 0.00 -0.20 -2.22 0.00 0.00 0.00 176.54 174.15 2kmg h ILE 94 N 0.00 1.27 0.00 2.60 1.08 -1.67 -2.39 117.51 118.40 2kmg h ILE 94 Ca 0.00 -1.36 -0.09 0.00 -0.39 0.00 0.00 64.86 63.01 2kmg h ILE 94 Cb 0.09 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 2kmg h ILE 94 CO 0.00 0.47 -0.45 0.58 -0.69 0.00 0.00 178.15 178.06 2kmg h VAL 95 N 0.84 0.77 -0.03 1.67 2.07 -1.39 -2.56 116.25 117.62 2kmg h VAL 95 Ca 0.11 -2.09 -0.03 0.00 0.82 0.00 0.00 66.70 65.52 2kmg h VAL 95 Cb 0.78 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2kmg h VAL 95 CO 0.06 0.44 -0.08 0.00 0.02 0.00 0.00 177.57 178.02 2kmg h ALA 96 N 1.55 0.06 -0.09 1.67 0.00 -1.23 -2.93 119.26 118.28 2kmg h ALA 96 Ca -0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 54.91 54.36 2kmg h ALA 96 Cb 1.35 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.14 2kmg h ALA 96 CO 0.06 -0.09 -0.83 0.00 0.00 0.00 0.00 179.25 178.39 2kmg h THR 97 N -0.43 1.30 -0.43 0.00 1.03 -1.54 -3.12 112.91 109.72 2kmg h THR 97 Ca 0.00 -2.05 0.08 0.00 -0.01 0.00 0.00 66.41 64.43 2kmg h THR 97 Cb 0.67 2.18 -0.07 0.00 -1.07 0.00 0.00 68.15 69.86 2kmg h THR 97 CO 0.02 0.64 -0.02 -0.07 -0.01 0.00 0.00 175.52 176.08 2kmg h LEU 98 N 0.40 -0.21 -1.24 0.00 3.38 -1.55 -1.00 115.31 115.09 2kmg h LEU 98 Ca -0.08 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2kmg h LEU 98 Cb 1.47 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 2kmg h LEU 98 CO 0.17 -0.07 0.13 -0.26 0.09 0.00 0.00 178.44 178.50 2kmg h PHE 99 N 0.09 0.66 -0.60 1.13 -1.00 -1.59 -2.55 116.94 113.09 2kmg h PHE 99 Ca 0.21 -0.04 0.04 0.00 2.81 0.00 0.00 57.97 60.99 2kmg h PHE 99 Cb 0.31 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 39.62 2kmg h PHE 99 CO -0.29 0.55 0.34 0.00 -1.61 0.00 0.00 178.31 177.30 2kmg h ALA 100 N 1.50 0.79 -1.01 2.45 0.00 -1.13 -1.54 119.26 120.33 2kmg h ALA 100 Ca 0.15 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2kmg h ALA 100 Cb 0.21 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 2kmg h ALA 100 CO -0.01 0.03 0.65 -0.07 0.00 0.00 0.00 179.25 179.86 2kmg h LEU 101 N 0.65 1.05 -1.18 0.00 3.38 -1.00 -0.96 115.31 117.25 2kmg h LEU 101 Ca 0.26 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 2kmg h LEU 101 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2kmg h LEU 101 CO -0.15 0.68 -0.15 1.23 0.09 0.00 0.00 178.44 180.14 2kmg h GLY 102 N 1.19 0.42 0.52 0.83 0.00 -1.19 -2.28 103.07 102.56 2kmg h GLY 102 Ca 0.43 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 2kmg h GLY 102 CO -0.17 0.26 -0.25 -1.61 0.00 0.00 0.00 176.54 174.78 2kmg h GLN 103 N 0.36 0.21 -1.00 4.80 4.15 -0.64 -2.77 115.11 120.23 2kmg h GLN 103 Ca 0.07 -0.20 0.09 0.00 0.77 0.00 0.00 58.65 59.38 2kmg h GLN 103 Cb 0.48 0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.14 2kmg h GLN 103 CO 0.03 0.89 0.63 -0.07 -1.93 0.00 0.00 178.83 178.38 2kmg h LEU 104 N -0.40 0.97 -1.08 -2.39 3.38 -1.16 -0.03 115.31 114.61 2kmg h LEU 104 Ca -0.02 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2kmg h LEU 104 Cb 0.96 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2kmg h LEU 104 CO 0.05 0.57 -0.35 0.00 0.09 0.00 0.00 178.44 178.80 2kmg h ALA 105 N 1.50 1.23 0.00 1.53 0.00 -1.45 -2.64 119.26 119.41 2kmg h ALA 105 Ca 0.46 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2kmg h ALA 105 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kmg h ALA 105 CO -0.22 0.53 -0.17 0.00 0.00 0.00 0.00 179.25 179.38 2kmg h ALA 106 N 1.47 0.91 0.04 0.00 0.00 -0.77 -3.30 119.26 117.60 2kmg h ALA 106 Ca 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kmg h ALA 106 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2kmg h ALA 106 CO 0.05 0.22 -0.02 0.93 0.00 0.00 0.00 179.25 180.43 2kmg h GLU 107 N 0.00 -0.05 -7.32 0.00 5.08 -0.74 -3.45 114.58 108.10 2kmg h GLU 107 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 2kmg h GLU 107 Cb 1.02 0.01 0.09 0.00 0.50 0.00 0.00 28.75 30.37 2kmg h GLU 107 CO 0.02 0.40 0.37 0.96 -1.00 0.00 0.00 179.01 179.76 2kmg s ILE 108 N -4.33 3.99 0.25 3.13 -4.36 -1.19 -4.96 121.20 113.73 2kmg s ILE 108 Ca -0.15 0.68 -0.30 0.00 -0.26 0.00 0.00 60.65 60.62 2kmg s ILE 108 Cb 0.02 -3.39 -0.14 0.00 1.25 0.00 0.00 42.46 40.20 2kmg s ILE 108 CO 0.65 -0.81 1.13 0.00 0.24 0.00 0.00 174.94 176.15 2kmg n ALA 109 N -3.00 -0.07 -0.40 2.27 0.00 -1.26 -4.69 120.51 113.36 2kmg n ALA 109 Ca 0.08 0.41 0.07 0.00 0.00 0.00 0.00 53.44 54.00 2kmg n ALA 109 Cb 0.53 -2.08 0.32 0.00 0.00 0.00 0.00 19.45 18.23 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 1.57 4.48 -0.08 0.00 5.75 -1.26 -3.33 116.55 123.67 2kmg n ASP 110 Ca 0.11 -2.56 -0.12 0.00 -0.01 0.00 0.00 54.79 52.21 2kmg n ASP 110 Cb 0.30 -0.59 -0.08 0.00 -1.03 0.00 0.00 41.12 39.72 2kmg n ASP 110 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2kmg h THR 111 N 3.39 0.86 0.00 2.12 1.35 -1.99 -3.44 112.91 115.19 2kmg h THR 111 Ca 0.00 -1.80 -0.15 0.00 -0.55 0.00 0.00 66.41 63.91 2kmg h THR 111 Cb 1.48 1.78 -0.03 0.00 -1.73 0.00 0.00 68.15 69.65 2kmg h THR 111 CO 0.30 0.29 -1.55 -0.67 -0.25 0.00 0.00 175.52 173.64 2kmg n ASP 112 N -4.59 2.66 -0.99 5.36 2.03 -1.26 -5.06 116.55 114.71 2kmg n ASP 112 Ca -0.15 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2kmg n ASP 112 Cb 0.42 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 2kmg n ASP 112 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmg n ALA 113 N -2.94 0.00 -0.53 -1.67 0.00 -1.23 -4.61 120.51 109.53 2kmg n ALA 113 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2kmg n ALA 113 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2kmg n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg n ALA 114 N -3.00 0.00 -0.08 0.00 0.00 -1.21 -4.53 120.51 111.69 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 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2kmg n ALA 114 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kmg n ASP 115 N 0.00 0.14 -0.08 0.00 2.03 -1.26 -4.65 116.55 112.72 2kmg n ASP 115 Ca 0.00 -0.46 -0.13 0.00 0.52 0.00 0.00 54.79 54.72 2kmg n ASP 115 Cb 0.00 0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.11 0.00 -1.67 0.00 -1.86 -3.34 119.26 112.50 2kmg h ALA 116 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2kmg h ALA 116 Cb 0.04 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kmg h ALA 116 CO 0.00 0.44 0.00 1.37 0.00 0.00 0.00 179.25 181.06 2kmg h LEU 117 N -1.00 0.00 -1.25 0.00 -0.00 -1.96 -0.91 115.31 110.19 2kmg h LEU 117 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2kmg h LEU 117 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 2kmg h LEU 117 CO -0.09 0.00 0.00 0.40 -0.00 0.00 0.00 178.44 178.75 2kmg h ILE 118 N 0.00 0.00 -0.66 0.15 1.08 -1.83 -3.04 117.51 113.21 2kmg h ILE 118 Ca 0.00 -0.27 0.10 0.00 -0.39 0.00 0.00 64.86 64.30 2kmg h ILE 118 Cb 0.15 1.08 -0.07 0.00 -3.07 0.00 0.00 36.82 34.91 2kmg h ILE 118 CO 0.00 0.00 0.29 -0.78 -0.69 0.00 0.00 178.15 176.97 2kmg h ASP 119 N 0.00 0.33 0.48 1.72 3.58 -1.34 -0.89 116.42 120.30 2kmg h ASP 119 Ca 0.00 0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.40 2kmg h ASP 119 Cb 0.33 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2kmg h ASP 119 CO 0.00 0.19 -0.54 0.08 -2.88 0.00 0.00 179.24 176.09 2kmg h ARG 120 N 0.49 0.06 -0.38 0.28 -0.00 -1.76 -3.08 114.38 109.99 2kmg h ARG 120 Ca 0.33 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 60.28 2kmg h ARG 120 Cb 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.35 2kmg h ARG 120 CO -0.30 0.59 0.25 -0.92 -0.00 0.00 0.00 179.97 179.59 2kmg h TYR 121 N 0.05 0.48 -0.95 4.08 5.03 -1.31 -1.82 116.97 122.54 2kmg h TYR 121 Ca -0.00 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.34 2kmg h TYR 121 Cb 0.97 -0.16 -0.05 0.00 1.55 0.00 0.00 36.73 39.04 2kmg h TYR 121 CO 0.00 0.30 0.63 0.45 -1.32 0.00 0.00 178.16 178.22 2kmg h HIS 122 N 0.52 1.18 0.35 -3.82 3.86 -1.36 0.07 115.15 115.95 2kmg h HIS 122 Ca 0.14 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2kmg h HIS 122 Cb -0.06 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.02 2kmg h HIS 122 CO -0.05 0.72 -0.17 0.74 0.86 0.00 0.00 177.93 180.03 2kmg h PHE 123 N 1.25 -0.43 0.00 2.45 0.04 -1.38 -2.50 116.94 116.37 2kmg h PHE 123 Ca 0.36 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.14 2kmg h PHE 123 Cb -0.09 0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 2kmg h PHE 123 CO -0.00 -0.24 -0.13 1.25 -0.60 0.00 0.00 178.31 178.58 2kmg h LEU 124 N -0.51 -0.39 -1.92 1.54 6.46 -1.05 -1.59 115.31 117.85 2kmg h LEU 124 Ca -0.05 0.06 0.30 0.00 -0.12 0.00 0.00 57.88 58.07 2kmg h LEU 124 Cb 0.39 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 2kmg h LEU 124 CO 0.08 -0.19 0.81 -0.09 -0.62 0.00 0.00 178.44 178.42 2kmg h ARG 125 N -0.23 0.00 0.00 1.25 2.43 -0.88 0.27 114.38 117.22 2kmg h ARG 125 Ca 0.05 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 2kmg h ARG 125 Cb 0.29 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2kmg h ARG 125 CO -0.13 0.00 -1.08 0.78 -1.51 0.00 0.00 179.97 178.02 2kmg h GLY 126 N 0.00 0.00 1.76 2.80 0.00 -0.83 -3.33 103.07 103.46 2kmg h GLY 126 Ca 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.67 2kmg h GLY 126 CO -0.01 0.00 -0.59 -2.75 0.00 0.00 0.00 176.54 173.19 2kmg h PHE 127 N 0.00 0.32 0.00 5.60 3.57 -0.11 -2.75 116.94 123.56 2kmg h PHE 127 Ca -0.10 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.28 2kmg h PHE 127 Cb 1.61 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.29 2kmg h PHE 127 CO 0.00 0.78 0.00 0.00 -2.23 0.00 0.00 178.31 176.86 2kmg n ALA 128 N -2.47 1.42 0.13 2.41 0.00 -1.00 -1.58 120.51 119.42 2kmg n ALA 128 Ca -0.02 0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.47 2kmg n ALA 128 Cb 0.61 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.83 2kmg n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg h ALA 129 N 2.25 0.65 -0.00 0.00 0.00 -1.65 -3.15 119.26 117.37 2kmg h ALA 129 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kmg h ALA 129 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kmg h ALA 129 CO 0.00 0.68 -0.03 0.41 0.00 0.00 0.00 179.25 180.31 2kmg n GLY 130 N 1.24 -1.17 3.78 0.00 0.00 -0.62 -4.83 105.19 103.60 2kmg n GLY 130 Ca 0.01 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.50 3.76 0.39 1.61 3.76 -1.19 -4.97 115.29 116.16 2kmg s HIS 131 Ca 0.30 1.70 0.06 0.00 -0.15 0.00 0.00 55.06 56.98 2kmg s HIS 131 Cb 0.20 -2.85 0.80 0.00 1.11 0.00 0.00 32.58 31.84 2kmg s HIS 131 CO 0.46 0.32 2.02 -1.00 -0.85 0.00 0.00 174.74 175.69 2kmg h PRO 132 N 3.55 0.55 -0.64 8.40 0.13 -1.89 -1.33 132.00 140.76 2kmg h PRO 132 Ca -0.47 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2kmg h PRO 132 Cb 1.20 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2kmg h PRO 132 CO 0.66 0.41 0.00 -0.85 -0.23 0.00 0.00 178.00 177.98 2kmg n GLU 133 N -4.43 3.75 -0.36 0.86 0.00 -1.26 -4.55 120.64 114.65 2kmg n GLU 133 Ca 0.03 -2.54 0.32 0.00 0.00 0.00 0.00 57.16 54.96 2kmg n GLU 133 Cb 0.10 -1.95 0.58 0.00 0.00 0.00 0.00 31.44 30.16 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kmg h ALA 134 N 3.83 2.28 -0.71 -1.84 0.00 -1.41 0.39 119.26 121.80 2kmg h ALA 134 Ca 0.00 0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.25 2kmg h ALA 134 Cb 1.48 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 19.44 2kmg h ALA 134 CO 0.29 -0.99 0.25 0.00 0.00 0.00 0.00 179.25 178.80 2kmg h ALA 135 N 1.85 0.95 -0.21 0.00 0.00 -1.84 0.99 119.26 121.01 2kmg h ALA 135 Ca 0.82 0.12 -0.20 0.00 0.00 0.00 0.00 54.91 55.65 2kmg h ALA 135 Cb 2.22 0.12 0.00 0.00 0.00 0.00 0.00 17.79 20.13 2kmg h ALA 135 CO -0.64 -0.24 -0.66 0.00 0.00 0.00 0.00 179.25 177.71 2kmg h ALA 136 N 1.53 0.42 0.30 0.00 0.00 -0.61 -2.87 119.26 118.04 2kmg h ALA 136 Ca 0.38 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2kmg h ALA 136 Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kmg h ALA 136 CO -0.41 0.69 -0.14 0.82 0.00 0.00 0.00 179.25 180.21 2kmg h ILE 137 N 0.58 0.73 -0.43 0.00 2.04 -0.94 -0.03 117.51 119.46 2kmg h ILE 137 Ca -0.02 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 2kmg h ILE 137 Cb 1.27 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 2kmg h ILE 137 CO 0.14 0.09 0.03 0.10 0.00 0.00 0.00 178.15 178.50 2kmg h TYR 138 N -0.63 0.71 -0.01 1.37 -0.00 -0.96 -1.94 116.97 115.51 2kmg h TYR 138 Ca -0.04 -0.08 -0.14 0.00 -0.00 0.00 0.00 58.73 58.47 2kmg h TYR 138 Cb 0.45 -0.20 -0.02 0.00 -0.00 0.00 0.00 36.73 36.96 2kmg h TYR 138 CO 0.00 0.66 -0.64 0.07 -0.00 0.00 0.00 178.16 178.25 2kmg h ARG 139 N 0.65 0.02 -0.34 0.10 0.11 -1.50 0.38 114.38 113.80 2kmg h ARG 139 Ca 0.14 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 60.13 2kmg h ARG 139 Cb 0.36 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.43 2kmg h ARG 139 CO 0.01 0.66 -0.10 0.00 0.10 0.00 0.00 179.97 180.64 2kmg h ALA 140 N 1.34 1.20 0.00 0.08 0.00 -0.25 -2.65 119.26 118.98 2kmg h ALA 140 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kmg h ALA 140 Cb 1.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kmg h ALA 140 CO 0.08 0.52 -0.88 0.44 0.00 0.00 0.00 179.25 179.41 2kmg n ILE 141 N -4.20 0.16 1.66 0.00 -5.35 -0.88 -4.43 119.36 106.32 2kmg n ILE 141 Ca 0.01 -0.19 0.13 0.00 -0.27 0.00 0.00 62.75 62.43 2kmg n ILE 141 Cb 0.32 0.21 0.79 0.00 -1.74 0.00 0.00 39.64 39.21 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12