#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 -8.06 -0.02 6.12 3.02 -1.26 -4.66 115.26 110.40 2kmg n ASN 2 Ca 0.00 0.73 0.04 0.00 -0.03 0.00 0.00 54.58 55.32 2kmg n ASN 2 Cb 0.00 -4.21 -0.15 0.00 -0.61 0.00 0.00 39.78 34.81 2kmg n ASN 2 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2kmg n THR 3 N -4.10 0.54 -3.62 3.41 -2.24 -1.26 -5.03 114.28 101.97 2kmg n THR 3 Ca -0.01 -0.62 -0.02 0.00 -2.27 0.00 0.00 64.05 61.13 2kmg n THR 3 Cb 0.62 -0.22 -0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2kmg n THR 3 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2kmg n GLU 4 N -2.49 0.09 -1.78 -0.78 0.28 -1.26 -4.98 120.64 109.72 2kmg n GLU 4 Ca -0.12 -0.34 0.00 0.00 -0.16 0.00 0.00 57.16 56.54 2kmg n GLU 4 Cb 0.76 0.33 0.00 0.00 1.43 0.00 0.00 31.44 33.95 2kmg n GLU 4 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2kmg n GLU 5 N -0.07 -4.09 -3.22 3.44 4.07 -1.26 -5.07 120.64 114.43 2kmg n GLU 5 Ca 0.00 3.05 -0.01 0.00 -0.06 0.00 0.00 57.16 60.13 2kmg n GLU 5 Cb 0.07 -3.35 -0.03 0.00 -0.06 0.00 0.00 31.44 28.07 2kmg n GLU 5 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 2kmg s GLN 6 N -1.15 0.49 0.00 5.31 -2.07 -1.26 -5.01 119.66 115.98 2kmg s GLN 6 Ca 0.00 0.54 0.05 0.00 -1.82 0.00 0.00 55.36 54.13 2kmg s GLN 6 Cb 0.00 0.07 0.29 0.00 -1.09 0.00 0.00 33.01 32.28 2kmg s GLN 6 CO 0.00 -0.89 0.85 -2.30 -1.32 0.00 0.00 175.29 171.63 2kmg n PRO 7 N 5.40 0.61 -3.64 9.60 -0.02 -1.26 -4.72 135.00 140.96 2kmg n PRO 7 Ca 0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.14 2kmg n PRO 7 Cb 0.51 -1.13 -0.08 0.00 -0.02 0.00 0.00 33.50 32.79 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 5.36 -0.08 -1.45 1.01 -1.26 -5.00 120.40 116.99 2kmg s VAL 8 Ca 0.07 0.34 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 2kmg s VAL 8 Cb 0.03 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.89 2kmg s VAL 8 CO 0.06 0.41 0.20 0.42 0.00 0.00 0.00 175.10 176.19 2kmg s THR 9 N 0.44 -0.00 0.86 3.92 -4.23 -1.26 -4.88 115.64 110.49 2kmg s THR 9 Ca 0.12 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.50 2kmg s THR 9 Cb -0.12 -0.29 0.20 0.00 1.34 0.00 0.00 72.50 73.63 2kmg s THR 9 CO 0.01 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.27 2kmg n ALA 10 N 3.05 -1.27 -3.53 3.99 0.00 -1.26 -3.16 120.51 118.34 2kmg n ALA 10 Ca -0.13 -1.57 -0.17 0.00 0.00 0.00 0.00 53.44 51.56 2kmg n ALA 10 Cb 0.58 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 2kmg n ALA 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kmg s SER 11 N -5.32 -0.66 -0.25 0.00 0.15 -0.66 -4.87 113.70 102.09 2kmg s SER 11 Ca 0.67 0.80 -0.20 0.00 0.70 0.00 0.00 55.95 57.93 2kmg s SER 11 Cb -0.02 0.66 -0.02 0.00 -1.71 0.00 0.00 66.02 64.93 2kmg s SER 11 CO 0.47 -0.55 0.60 -0.22 1.20 0.00 0.00 173.24 174.74 2kmg s LEU 12 N -0.97 4.07 0.54 3.45 2.96 -1.26 -0.35 118.68 127.12 2kmg s LEU 12 Ca -0.10 0.68 -0.15 0.00 -0.22 0.00 0.00 54.13 54.35 2kmg s LEU 12 Cb -0.01 -2.81 -0.07 0.00 0.50 0.00 0.00 46.19 43.80 2kmg s LEU 12 CO 0.09 -0.34 1.00 -0.69 -1.32 0.00 0.00 176.35 175.08 2kmg s VAL 13 N 2.39 4.59 0.92 1.68 1.01 -1.19 -5.00 120.40 124.80 2kmg s VAL 13 Ca 0.25 1.11 -0.11 0.00 0.00 0.00 0.00 61.98 63.23 2kmg s VAL 13 Cb -0.16 -3.77 0.13 0.00 0.00 0.00 0.00 36.38 32.59 2kmg s VAL 13 CO 0.09 -0.82 1.05 0.00 0.00 0.00 0.00 175.10 175.41 2kmg n ALA 14 N -1.93 -1.01 0.12 5.51 0.00 -1.26 -4.72 120.51 117.23 2kmg n ALA 14 Ca 0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.92 2kmg n ALA 14 Cb 0.54 -2.15 0.13 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.80 0.05 -0.01 0.00 4.11 -1.99 0.14 114.58 115.08 2kmg h GLU 15 Ca -0.43 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2kmg h GLU 15 Cb 1.27 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2kmg h GLU 15 CO 0.40 0.69 -0.12 0.00 0.07 0.00 0.00 179.01 180.06 2kmg n ALA 16 N -2.43 2.80 0.00 1.06 0.00 -1.26 -3.94 120.51 116.75 2kmg n ALA 16 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2kmg n ALA 16 Cb 0.66 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.61 0.68 0.21 0.00 1.13 -1.13 -4.68 117.38 112.98 2kmg n GLN 17 Ca 0.16 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.27 2kmg n GLN 17 Cb 0.30 -0.94 0.47 0.00 0.11 0.00 0.00 30.24 30.17 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 -0.84 0.33 114.38 112.90 2kmg h ARG 18 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2kmg h ARG 18 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 2kmg h ARG 18 CO 0.00 0.28 -0.11 1.37 0.10 0.00 0.00 179.97 181.61 2kmg h LEU 19 N 0.00 0.00 0.00 0.08 -0.00 -1.82 -3.07 115.31 110.49 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 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2kmg h LEU 19 CO 0.04 0.11 -0.55 -0.67 -0.00 0.00 0.00 178.44 177.37 2kmg n ASP 20 N -3.24 0.86 -0.04 0.17 2.03 -0.95 -4.59 116.55 110.80 2kmg n ASP 20 Ca 0.01 -0.57 -0.15 0.00 0.52 0.00 0.00 54.79 54.60 2kmg n ASP 20 Cb 0.39 1.07 -0.08 0.00 -0.72 0.00 0.00 41.12 41.77 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 0.65 0.06 -0.67 3.57 -0.26 -1.84 116.94 118.45 2kmg h PHE 21 Ca 0.00 -0.27 0.02 0.00 3.53 0.00 0.00 57.97 61.25 2kmg h PHE 21 Cb 0.22 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2kmg h PHE 21 CO 0.00 1.03 -0.17 1.25 -2.23 0.00 0.00 178.31 178.19 2kmg h LEU 22 N 0.09 -0.47 -1.48 0.59 7.12 -1.79 -0.06 115.31 119.31 2kmg h LEU 22 Ca -0.02 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.05 2kmg h LEU 22 Cb 1.05 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 2kmg h LEU 22 CO 0.09 -0.24 0.00 1.55 -0.13 0.00 0.00 178.44 179.71 2kmg h PRO 23 N -0.31 0.00 0.03 5.25 0.13 -1.72 0.40 132.00 135.78 2kmg h PRO 23 Ca 0.03 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.92 2kmg h PRO 23 Cb 0.34 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.48 2kmg h PRO 23 CO -0.12 0.00 -1.01 1.15 -0.23 0.00 0.00 178.00 177.79 2kmg h THR 24 N 0.00 1.40 0.00 1.56 2.02 -0.43 0.16 112.91 117.63 2kmg h THR 24 Ca 0.00 -2.54 -0.03 0.00 0.77 0.00 0.00 66.41 64.61 2kmg h THR 24 Cb 0.49 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 2kmg h THR 24 CO 0.00 0.76 -1.93 0.00 0.37 0.00 0.00 175.52 174.71 2kmg n TYR 25 N -3.72 0.00 -0.08 3.16 4.19 -0.12 -4.61 117.16 115.98 2kmg n TYR 25 Ca -0.08 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.02 2kmg n TYR 25 Cb 0.88 -0.49 -0.07 0.00 0.49 0.00 0.00 39.34 40.14 2kmg n TYR 25 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 2kmg n PHE 26 N -2.23 0.00 0.00 2.98 7.35 0.14 -5.09 117.46 120.61 2kmg n PHE 26 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 2kmg n PHE 26 Cb 0.57 -0.62 0.00 0.00 0.35 0.00 0.00 39.48 39.78 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 2.68 4.51 0.11 7.13 0.00 0.53 -4.62 105.19 115.53 2kmg n GLY 27 Ca -0.29 -1.17 0.07 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.45 0.09 -0.11 1.61 -0.04 -0.92 -1.58 135.00 132.60 2kmg n PRO 28 Ca 0.00 0.59 -0.21 0.00 -0.04 0.00 0.00 63.50 63.84 2kmg n PRO 28 Cb 0.00 -1.80 -0.09 0.00 -0.04 0.00 0.00 33.50 31.57 2kmg n PRO 28 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kmg n ARG 29 N -1.99 0.51 0.14 0.54 5.12 -1.26 -4.51 116.66 115.21 2kmg n ARG 29 Ca -0.01 0.18 0.07 0.00 -1.93 0.00 0.00 57.85 56.16 2kmg n ARG 29 Cb 0.02 -1.37 0.55 0.00 -1.16 0.00 0.00 32.46 30.50 2kmg n ARG 29 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2kmg h LEU 30 N -0.49 0.21 -1.24 0.55 4.07 -1.73 -2.82 115.31 113.86 2kmg h LEU 30 Ca -0.55 -0.00 0.41 0.00 0.08 0.00 0.00 57.88 57.82 2kmg h LEU 30 Cb 1.62 -0.05 -0.11 0.00 1.08 0.00 0.00 40.66 43.20 2kmg h LEU 30 CO -0.24 0.15 0.81 1.15 -1.08 0.00 0.00 178.44 179.23 2kmg n MET 31 N -4.51 -0.03 -0.11 1.13 0.00 -0.61 0.85 117.12 113.85 2kmg n MET 31 Ca 0.00 1.03 -0.13 0.00 0.00 0.00 0.00 57.70 58.60 2kmg n MET 31 Cb 0.09 -2.08 -0.14 0.00 0.00 0.00 0.00 33.22 31.09 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 -4.26 0.67 0.21 3.17 0.00 -1.07 -2.95 117.12 112.91 2kmg n MET 32 Ca 0.34 0.06 0.15 0.00 0.00 0.00 0.00 57.70 58.26 2kmg n MET 32 Cb 1.38 -1.53 0.66 0.00 0.00 0.00 0.00 33.22 33.73 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 3.08 0.29 -2.73 114.38 118.19 2kmg h ARG 33 Ca -0.56 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.28 2kmg h ARG 33 Cb 2.11 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 32.12 2kmg h ARG 33 CO -0.01 0.00 -1.79 0.41 -1.07 0.00 0.00 179.97 177.51 2kmg n GLY 34 N -0.23 -0.20 0.29 0.04 0.00 0.25 -4.11 105.19 101.23 2kmg n GLY 34 Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 2kmg n GLY 34 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kmg h GLU 35 N -0.08 0.88 0.00 1.61 4.81 -1.58 -0.66 114.58 119.56 2kmg h GLU 35 Ca -0.32 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 2kmg h GLU 35 Cb 1.45 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2kmg h GLU 35 CO -0.07 0.58 -0.30 0.00 -0.73 0.00 0.00 179.01 178.49 2kmg h ALA 36 N 1.31 0.91 0.06 2.92 0.00 -1.74 -3.12 119.26 119.60 2kmg h ALA 36 Ca 0.30 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 2kmg h ALA 36 Cb 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kmg h ALA 36 CO -0.11 0.37 -1.08 1.25 0.00 0.00 0.00 179.25 179.68 2kmg h LEU 37 N 0.00 0.38 -0.28 0.00 5.85 -1.43 -1.34 115.31 118.49 2kmg h LEU 37 Ca -0.00 -0.36 -0.19 0.00 0.84 0.00 0.00 57.88 58.16 2kmg h LEU 37 Cb 0.97 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2kmg h LEU 37 CO 0.04 1.23 -0.59 -0.37 -0.34 0.00 0.00 178.44 178.41 2kmg h VAL 38 N 0.11 1.28 0.00 1.05 -1.51 -1.17 -3.03 116.25 112.98 2kmg h VAL 38 Ca -0.09 -1.78 -0.06 0.00 -1.23 0.00 0.00 66.70 63.54 2kmg h VAL 38 Cb 1.77 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 32.61 2kmg h VAL 38 CO 0.17 0.58 -0.30 0.10 -1.23 0.00 0.00 177.57 176.89 2kmg h TYR 39 N 0.64 0.00 -0.79 5.19 -0.00 -1.63 -3.13 116.97 117.25 2kmg h TYR 39 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 2kmg h TYR 39 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.89 2kmg h TYR 39 CO 0.07 0.30 0.41 0.00 -0.00 0.00 0.00 178.16 178.94 2kmg h ALA 40 N 1.70 1.01 0.00 0.10 0.00 -1.12 -1.36 119.26 119.60 2kmg h ALA 40 Ca -0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2kmg h ALA 40 Cb 1.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2kmg h ALA 40 CO 0.04 0.54 -0.67 -1.49 0.00 0.00 0.00 179.25 177.67 2kmg h TRP 41 N 1.10 0.00 -0.20 0.00 4.06 -1.59 -3.26 115.95 116.06 2kmg h TRP 41 Ca 0.27 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.17 2kmg h TRP 41 Cb 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 2kmg h TRP 41 CO 0.01 0.67 -0.07 1.98 -3.56 0.00 0.00 178.44 177.47 2kmg h MET 42 N 0.00 0.40 0.00 0.49 4.05 -1.38 -2.68 114.93 115.81 2kmg h MET 42 Ca -0.01 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.25 2kmg h MET 42 Cb 1.44 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.22 2kmg h MET 42 CO 0.09 0.68 -0.01 0.07 0.23 0.00 0.00 176.91 177.97 2kmg h ARG 43 N 0.11 0.00 0.05 0.39 0.11 -1.35 -3.02 114.38 110.66 2kmg h ARG 43 Ca 0.05 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.12 2kmg h ARG 43 Cb 0.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.62 2kmg h ARG 43 CO 0.02 0.01 -0.03 0.00 0.10 0.00 0.00 179.97 180.08 2kmg h ARG 44 N 0.00 -0.07 -0.09 0.08 3.08 -1.56 -3.25 114.38 112.58 2kmg h ARG 44 Ca -0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2kmg h ARG 44 Cb 0.37 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2kmg h ARG 44 CO 0.00 0.55 0.57 -0.07 -1.07 0.00 0.00 179.97 179.95 2kmg h LEU 45 N -0.88 0.00 -7.41 3.04 3.38 -1.35 -3.36 115.31 108.73 2kmg h LEU 45 Ca -0.01 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.55 2kmg h LEU 45 Cb 0.65 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.01 2kmg h LEU 45 CO 0.01 0.00 -0.76 0.00 0.09 0.00 0.00 178.44 177.79 2kmg h GLU 47 N 8.37 0.00 -1.53 0.00 4.11 -1.75 -2.60 114.58 121.18 2kmg h GLU 47 Ca -0.17 0.00 -0.71 0.00 0.07 0.00 0.00 59.36 58.56 2kmg h GLU 47 Cb 1.12 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.07 2kmg h GLU 47 CO 0.22 0.17 0.73 0.54 0.07 0.00 0.00 179.01 180.73 2kmg n ARG 48 N -3.74 2.84 -3.87 1.06 5.12 -1.26 -4.89 116.66 111.92 2kmg n ARG 48 Ca -0.02 -3.57 -0.34 0.00 -1.93 0.00 0.00 57.85 52.00 2kmg n ARG 48 Cb 0.28 -2.28 -0.13 0.00 -1.16 0.00 0.00 32.46 29.17 2kmg n ARG 48 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2kmg s TYR 49 N -3.92 3.59 -0.09 -1.55 6.14 -0.98 -4.96 117.35 115.59 2kmg s TYR 49 Ca 0.56 -2.73 -0.20 0.00 0.64 0.00 0.00 57.07 55.35 2kmg s TYR 49 Cb 0.46 -3.08 -0.16 0.00 0.42 0.00 0.00 41.96 39.59 2kmg s TYR 49 CO -0.23 -0.93 0.69 -0.91 0.64 0.00 0.00 175.55 174.81 2kmg h ASN 50 N 7.64 -0.08 0.00 4.32 -0.26 -1.90 -3.44 115.58 121.86 2kmg h ASN 50 Ca -0.08 -0.51 0.00 0.00 -0.56 0.00 0.00 56.30 55.15 2kmg h ASN 50 Cb 1.01 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.29 2kmg h ASN 50 CO 0.64 0.61 0.00 0.61 -1.06 0.00 0.00 177.43 178.23 2kmg n GLY 51 N 1.14 -1.67 3.74 2.83 0.00 -1.26 -5.04 105.19 104.93 2kmg n GLY 51 Ca -0.07 -1.10 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.85 -1.86 -0.84 4.61 0.00 -1.26 -4.98 121.76 115.58 2kmg s ALA 52 Ca 0.00 0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.00 2kmg s ALA 52 Cb 0.00 0.57 0.11 0.00 0.00 0.00 0.00 23.12 23.80 2kmg s ALA 52 CO 0.00 -1.05 1.07 0.71 0.00 0.00 0.00 175.76 176.49 2kmg s TYR 53 N -2.84 2.97 -1.14 0.00 2.02 -1.26 -4.73 117.35 112.37 2kmg s TYR 53 Ca 0.15 -1.12 -0.21 0.00 -0.37 0.00 0.00 57.07 55.51 2kmg s TYR 53 Cb 0.00 -4.29 -0.07 0.00 -0.40 0.00 0.00 41.96 37.21 2kmg s TYR 53 CO 0.01 -1.54 1.91 0.91 -1.57 0.00 0.00 175.55 175.27 2kmg n TRP 54 N 6.94 2.97 -1.58 2.71 8.01 -1.25 -1.62 117.44 133.63 2kmg n TRP 54 Ca 0.15 -1.87 -0.47 0.00 -1.31 0.00 0.00 57.50 54.00 2kmg n TRP 54 Cb 0.48 -2.44 -0.03 0.00 -2.01 0.00 0.00 31.31 27.31 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 11.48 1.22 -2.78 -5.99 8.25 0.76 -4.42 115.22 123.73 2kmg n HIS 55 Ca 0.47 0.70 -0.42 0.00 -0.26 0.00 0.00 57.72 58.21 2kmg n HIS 55 Cb 0.45 -2.25 -0.03 0.00 1.12 0.00 0.00 29.99 29.27 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 -0.62 3.55 0.00 4.41 2.02 -1.26 -2.41 117.35 123.04 2kmg s TYR 56 Ca 0.66 1.51 0.08 0.00 -0.37 0.00 0.00 57.07 58.95 2kmg s TYR 56 Cb -0.78 -3.08 -0.02 0.00 -0.40 0.00 0.00 41.96 37.68 2kmg s TYR 56 CO 0.56 -0.12 -0.25 0.71 -1.57 0.00 0.00 175.55 174.88 2kmg s TYR 57 N 1.57 2.21 -0.26 2.71 2.02 -0.33 -3.16 117.35 122.11 2kmg s TYR 57 Ca 0.46 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.73 2kmg s TYR 57 Cb -0.19 -1.39 0.04 0.00 -0.40 0.00 0.00 41.96 40.02 2kmg s TYR 57 CO 0.20 0.02 -0.05 0.00 -1.57 0.00 0.00 175.55 174.14 2kmg s ALA 58 N -0.66 2.71 0.27 3.71 0.00 0.52 -2.30 121.76 126.02 2kmg s ALA 58 Ca 0.10 -1.57 -0.12 0.00 0.00 0.00 0.00 51.96 50.37 2kmg s ALA 58 Cb -0.10 -1.74 -0.08 0.00 0.00 0.00 0.00 23.12 21.20 2kmg s ALA 58 CO 0.00 -0.97 0.64 -0.51 0.00 0.00 0.00 175.76 174.92 2kmg s LEU 59 N 1.28 4.13 0.47 0.00 1.43 -1.26 -1.65 118.68 123.09 2kmg s LEU 59 Ca -0.02 1.09 0.22 0.00 -1.03 0.00 0.00 54.13 54.39 2kmg s LEU 59 Cb -0.18 -3.85 1.19 0.00 0.03 0.00 0.00 46.19 43.39 2kmg s LEU 59 CO -0.04 -0.13 1.99 0.28 0.23 0.00 0.00 176.35 178.69 2kmg h SER 60 N 2.46 0.00 -0.17 2.29 0.02 -1.92 -1.68 113.55 114.55 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 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2kmg h SER 60 CO 0.67 0.19 0.00 0.47 -1.14 0.00 0.00 176.83 177.02 2kmg n ASP 61 N -3.84 1.34 0.00 3.07 9.92 -1.26 -4.88 116.55 120.91 2kmg n ASP 61 Ca -0.02 -1.74 0.00 0.00 -0.53 0.00 0.00 54.79 52.50 2kmg n ASP 61 Cb 0.28 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 2kmg n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kmg n GLY 62 N 1.02 0.69 1.79 0.44 0.00 -0.63 -4.89 105.19 103.61 2kmg n GLY 62 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 2kmg n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kmg n GLY 63 N -2.33 3.78 2.70 -0.02 0.00 -1.26 -4.87 105.19 103.20 2kmg n GLY 63 Ca 0.00 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 2kmg n GLY 63 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2kmg n PHE 64 N 0.02 -1.04 -4.27 1.61 -1.74 -1.26 -4.35 117.46 106.43 2kmg n PHE 64 Ca 0.31 0.65 -0.16 0.00 -0.56 0.00 0.00 57.45 57.69 2kmg n PHE 64 Cb 0.80 -1.51 -0.10 0.00 1.52 0.00 0.00 39.48 40.20 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 -0.56 0.00 0.00 176.76 177.72 2kmg s TYR 65 N -1.08 1.42 0.03 2.97 1.13 -0.97 -4.90 117.35 115.95 2kmg s TYR 65 Ca 0.50 -1.36 0.08 0.00 -1.41 0.00 0.00 57.07 54.88 2kmg s TYR 65 Cb -0.64 -0.73 -0.03 0.00 -1.10 0.00 0.00 41.96 39.47 2kmg s TYR 65 CO 0.48 -0.56 -0.23 -1.64 -2.51 0.00 0.00 175.55 171.08 2kmg s MET 66 N -3.97 1.63 -0.03 -3.49 -1.94 -1.26 -1.18 119.30 109.06 2kmg s MET 66 Ca 0.38 -0.98 -0.00 0.00 -1.71 0.00 0.00 55.69 53.37 2kmg s MET 66 Cb 0.06 -1.74 0.03 0.00 2.01 0.00 0.00 34.83 35.19 2kmg s MET 66 CO 0.15 0.45 0.03 0.00 -0.01 0.00 0.00 175.02 175.64 2kmg s ALA 67 N -0.75 0.18 0.99 3.03 0.00 -1.01 -4.39 121.76 119.81 2kmg s ALA 67 Ca 0.09 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 2kmg s ALA 67 Cb -0.09 -0.34 0.19 0.00 0.00 0.00 0.00 23.12 22.87 2kmg s ALA 67 CO 0.01 -0.17 1.08 -1.25 0.00 0.00 0.00 175.76 175.44 2kmg s PRO 68 N 1.27 0.44 -0.66 0.00 0.04 -1.22 -0.17 135.00 134.70 2kmg s PRO 68 Ca -0.07 1.01 0.05 0.00 0.04 0.00 0.00 61.00 62.03 2kmg s PRO 68 Cb -0.13 -1.70 0.19 0.00 0.04 0.00 0.00 34.50 32.90 2kmg s PRO 68 CO -0.03 -2.85 0.53 -3.47 0.04 0.00 0.00 177.00 171.22 2kmg n ASP 69 N -4.33 2.79 -4.66 6.66 2.03 -0.64 -4.33 116.55 114.08 2kmg n ASP 69 Ca 0.07 -3.17 -0.31 0.00 0.52 0.00 0.00 54.79 51.90 2kmg n ASP 69 Cb 0.54 -0.72 -0.05 0.00 -0.72 0.00 0.00 41.12 40.17 2kmg n ASP 69 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kmg n LEU 70 N 1.81 0.00 0.00 -2.67 4.77 -1.26 -4.39 117.00 115.27 2kmg n LEU 70 Ca 0.23 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.14 2kmg n LEU 70 Cb 0.38 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2kmg n LEU 70 CO 0.28 -0.47 0.00 0.00 -1.33 0.00 0.00 177.39 175.87 2kmg n ALA 71 N -1.51 0.00 -2.81 -1.18 0.00 -1.26 -4.64 120.51 109.12 2kmg n ALA 71 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.87 2kmg n ALA 71 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.20 2.18 -0.14 0.00 0.00 -1.26 -4.17 107.32 102.74 2kmg s GLY 72 Ca 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 44.72 44.05 2kmg s GLY 72 CO 0.00 -0.21 0.17 0.54 0.00 0.00 0.00 173.10 173.60 2kmg n ARG 73 N 2.25 -3.55 -5.14 2.90 5.12 -1.26 -4.95 116.66 112.02 2kmg n ARG 73 Ca -0.18 2.76 -0.31 0.00 -1.93 0.00 0.00 57.85 58.19 2kmg n ARG 73 Cb 0.54 -3.79 -0.17 0.00 -1.16 0.00 0.00 32.46 27.88 2kmg n ARG 73 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kmg s LEU 74 N -0.53 2.03 -0.56 0.55 1.43 -0.40 -4.82 118.68 116.39 2kmg s LEU 74 Ca -0.19 -0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 52.13 2kmg s LEU 74 Cb 0.01 -1.33 -0.07 0.00 0.03 0.00 0.00 46.19 44.83 2kmg s LEU 74 CO 0.55 0.15 2.34 -0.70 0.23 0.00 0.00 176.35 178.93 2kmg s GLU 75 N 0.33 2.09 -0.28 1.70 2.12 -1.26 -0.21 118.70 123.18 2kmg s GLU 75 Ca -0.17 1.14 0.03 0.00 0.36 0.00 0.00 54.97 56.33 2kmg s GLU 75 Cb -0.17 -4.60 0.07 0.00 0.26 0.00 0.00 34.13 29.69 2kmg s GLU 75 CO 0.08 -3.40 -0.04 0.42 -0.54 0.00 0.00 175.26 171.78 2kmg s ILE 76 N 12.23 2.02 -0.05 -3.70 -1.09 -0.85 -4.72 121.20 125.04 2kmg s ILE 76 Ca 0.93 -1.77 -0.19 0.00 -2.23 0.00 0.00 60.65 57.39 2kmg s ILE 76 Cb -0.16 -2.29 -0.05 0.00 -1.58 0.00 0.00 42.46 38.38 2kmg s ILE 76 CO 0.22 -0.25 0.52 -1.83 -1.23 0.00 0.00 174.94 172.36 2kmg s GLU 77 N 1.12 4.26 -0.45 2.79 -1.05 0.29 -3.59 118.70 122.07 2kmg s GLU 77 Ca -0.01 0.57 -0.10 0.00 -0.15 0.00 0.00 54.97 55.27 2kmg s GLU 77 Cb -0.19 -3.36 0.09 0.00 -0.44 0.00 0.00 34.13 30.23 2kmg s GLU 77 CO -0.07 0.33 0.31 0.14 0.95 0.00 0.00 175.26 176.92 2kmg s VAL 78 N 0.00 4.34 0.44 1.83 -7.23 -1.07 -4.18 120.40 114.53 2kmg s VAL 78 Ca 0.28 -1.51 0.09 0.00 -1.81 0.00 0.00 61.98 59.03 2kmg s VAL 78 Cb -0.17 -3.72 0.27 0.00 0.56 0.00 0.00 36.38 33.32 2kmg s VAL 78 CO 0.14 -0.62 2.08 0.78 -0.31 0.00 0.00 175.10 177.17 2kmg h ASN 79 N 8.47 0.36 -1.19 4.85 2.35 -1.92 0.67 115.58 129.18 2kmg h ASN 79 Ca -0.23 -0.01 0.39 0.00 -0.55 0.00 0.00 56.30 55.90 2kmg h ASN 79 Cb 1.08 -0.09 -0.13 0.00 0.05 0.00 0.00 38.32 39.23 2kmg h ASN 79 CO 0.81 0.26 0.74 1.23 -1.65 0.00 0.00 177.43 178.82 2kmg h GLY 80 N 0.43 1.56 -0.66 2.83 0.00 -1.91 -2.79 103.07 102.52 2kmg h GLY 80 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2kmg h GLY 80 CO -0.03 -0.43 -0.28 1.16 0.00 0.00 0.00 176.54 176.96 2kmg n ASN 81 N -4.82 0.00 -2.20 0.19 0.23 -0.96 -5.01 115.26 102.70 2kmg n ASN 81 Ca 0.35 -1.56 -0.18 0.00 -0.53 0.00 0.00 54.58 52.66 2kmg n ASN 81 Cb 1.26 -0.11 -0.02 0.00 -2.08 0.00 0.00 39.78 38.82 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 0.02 3.45 4.83 0.00 0.23 -4.92 105.19 108.81 2kmg n GLY 82 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.80 2.75 -0.26 1.61 5.36 -0.97 -4.88 117.98 118.79 2kmg s PHE 83 Ca 0.00 -0.70 -0.24 0.00 -0.96 0.00 0.00 56.93 55.03 2kmg s PHE 83 Cb 0.00 -4.29 -0.01 0.00 -0.34 0.00 0.00 43.02 38.39 2kmg s PHE 83 CO 0.00 -1.62 0.79 1.03 -1.46 0.00 0.00 175.22 173.96 2kmg s ARG 84 N 3.81 4.11 -0.19 10.12 3.00 -1.26 -2.58 118.95 135.95 2kmg s ARG 84 Ca 0.24 0.78 -0.28 0.00 0.00 0.00 0.00 55.73 56.46 2kmg s ARG 84 Cb -0.15 -3.67 0.11 0.00 0.00 0.00 0.00 34.95 31.24 2kmg s ARG 84 CO 0.07 -0.55 0.95 0.20 0.00 0.00 0.00 175.30 175.96 2kmg s GLY 85 N 1.45 -0.29 -0.55 -3.53 0.00 -1.24 -5.02 107.32 98.15 2kmg s GLY 85 Ca 0.33 2.15 -0.24 0.00 0.00 0.00 0.00 44.72 46.96 2kmg s GLY 85 CO 0.09 1.33 0.94 -0.54 0.00 0.00 0.00 173.10 174.92 2kmg s GLU 86 N -0.60 3.34 0.09 2.90 2.02 -1.26 -2.01 118.70 123.19 2kmg s GLU 86 Ca -0.01 -0.24 0.09 0.00 0.02 0.00 0.00 54.97 54.83 2kmg s GLU 86 Cb -0.02 -4.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 2kmg s GLU 86 CO 0.00 -1.47 -0.22 -1.17 0.02 0.00 0.00 175.26 172.42 2kmg s LEU 87 N 3.94 2.50 0.82 1.80 2.96 0.70 -4.39 118.68 127.01 2kmg s LEU 87 Ca 0.31 -0.58 -0.11 0.00 -0.22 0.00 0.00 54.13 53.53 2kmg s LEU 87 Cb -0.12 -1.42 0.09 0.00 0.50 0.00 0.00 46.19 45.23 2kmg s LEU 87 CO 0.20 0.21 1.13 -0.94 -1.32 0.00 0.00 176.35 175.62 2kmg s SER 88 N -1.81 3.88 0.30 3.68 1.04 -1.26 -1.28 113.70 118.26 2kmg s SER 88 Ca 0.15 2.04 0.22 0.00 0.48 0.00 0.00 55.95 58.84 2kmg s SER 88 Cb -0.10 -2.55 1.11 0.00 0.10 0.00 0.00 66.02 64.58 2kmg s SER 88 CO 0.07 -2.46 1.67 0.00 0.98 0.00 0.00 173.24 173.50 2kmg n ALA 89 N -3.65 1.23 -0.06 5.32 0.00 -1.26 -0.74 120.51 121.35 2kmg n ALA 89 Ca 0.11 0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.66 2kmg n ALA 89 Cb 0.52 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 0.95 0.00 1.82 -1.90 -2.07 116.42 115.22 2kmg h ASP 90 Ca 0.00 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.42 2kmg h ASP 90 Cb 0.11 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.12 2kmg h ASP 90 CO 0.00 0.72 0.00 0.00 -1.61 0.00 0.00 179.24 178.35 2kmg n ALA 91 N -2.97 1.84 -0.02 -0.78 0.00 -1.12 -2.84 120.51 114.61 2kmg n ALA 91 Ca -0.06 0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2kmg n ALA 91 Cb 0.20 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.79 1.22 0.34 0.00 0.00 0.08 -3.86 120.51 116.50 2kmg n ALA 92 Ca 0.03 -0.75 0.21 0.00 0.00 0.00 0.00 53.44 52.93 2kmg n ALA 92 Cb 0.29 -0.67 1.14 0.00 0.00 0.00 0.00 19.45 20.20 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 2.37 0.00 1.13 0.00 0.00 -1.21 0.69 103.07 106.05 2kmg h GLY 93 Ca -0.39 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 2kmg h GLY 93 CO 0.07 0.00 -0.11 -2.22 0.00 0.00 0.00 176.54 174.28 2kmg h ILE 94 N 0.00 1.27 0.00 2.60 1.08 -1.66 -2.39 117.51 118.40 2kmg h ILE 94 Ca 0.00 -1.26 -0.16 0.00 -0.39 0.00 0.00 64.86 63.05 2kmg h ILE 94 Cb 0.15 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 2kmg h ILE 94 CO -0.00 0.45 -0.76 0.58 -0.69 0.00 0.00 178.15 177.73 2kmg h VAL 95 N 0.90 1.45 -0.17 1.67 2.07 -1.07 -2.45 116.25 118.65 2kmg h VAL 95 Ca 0.14 -2.69 -0.04 0.00 0.82 0.00 0.00 66.70 64.93 2kmg h VAL 95 Cb 0.67 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2kmg h VAL 95 CO 0.05 0.75 -0.05 0.00 0.02 0.00 0.00 177.57 178.34 2kmg h ALA 96 N 1.24 0.23 -0.08 1.67 0.00 -1.20 -2.72 119.26 118.40 2kmg h ALA 96 Ca -0.01 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 2kmg h ALA 96 Cb 1.42 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.17 2kmg h ALA 96 CO 0.10 0.00 -0.66 0.00 0.00 0.00 0.00 179.25 178.69 2kmg h THR 97 N 0.03 1.35 -0.21 0.00 1.03 -1.51 -3.24 112.91 110.35 2kmg h THR 97 Ca 0.04 -1.97 0.05 0.00 -0.01 0.00 0.00 66.41 64.52 2kmg h THR 97 Cb 0.49 2.26 -0.06 0.00 -1.07 0.00 0.00 68.15 69.77 2kmg h THR 97 CO 0.02 0.60 -0.15 -0.07 -0.01 0.00 0.00 175.52 175.91 2kmg h LEU 98 N 0.21 -0.49 -2.07 0.00 3.38 -1.49 -0.76 115.31 114.08 2kmg h LEU 98 Ca -0.06 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2kmg h LEU 98 Cb 1.32 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2kmg h LEU 98 CO 0.13 -0.19 0.17 -0.26 0.09 0.00 0.00 178.44 178.38 2kmg h PHE 99 N -0.15 0.00 -0.28 1.13 -1.00 -1.58 -0.55 116.94 114.51 2kmg h PHE 99 Ca 0.12 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.77 2kmg h PHE 99 Cb 0.33 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 2kmg h PHE 99 CO -0.31 0.00 -0.38 0.00 -1.61 0.00 0.00 178.31 176.01 2kmg h ALA 100 N 1.87 0.80 -0.48 2.45 0.00 -1.18 -2.87 119.26 119.85 2kmg h ALA 100 Ca 0.10 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2kmg h ALA 100 Cb 0.43 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2kmg h ALA 100 CO -0.00 0.65 0.22 -0.07 0.00 0.00 0.00 179.25 180.05 2kmg h LEU 101 N 0.54 0.64 -1.20 0.00 3.38 -0.63 -2.22 115.31 115.82 2kmg h LEU 101 Ca 0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2kmg h LEU 101 Cb 0.90 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2kmg h LEU 101 CO 0.08 0.61 -0.02 1.23 0.09 0.00 0.00 178.44 180.42 2kmg h GLY 102 N 0.63 0.56 0.99 0.83 0.00 -1.45 -2.63 103.07 102.00 2kmg h GLY 102 Ca 0.16 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 2kmg h GLY 102 CO -0.02 0.32 -0.34 -1.61 0.00 0.00 0.00 176.54 174.89 2kmg h GLN 103 N 0.50 0.72 -0.60 4.80 4.15 -1.28 -2.84 115.11 120.55 2kmg h GLN 103 Ca 0.10 -0.40 0.02 0.00 0.77 0.00 0.00 58.65 59.14 2kmg h GLN 103 Cb 0.36 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 2kmg h GLN 103 CO 0.01 1.02 0.39 -0.07 -1.93 0.00 0.00 178.83 178.25 2kmg h LEU 104 N 0.45 0.65 -1.26 -2.39 3.38 -1.23 0.20 115.31 115.12 2kmg h LEU 104 Ca 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2kmg h LEU 104 Cb 0.93 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2kmg h LEU 104 CO 0.08 0.46 0.19 0.00 0.09 0.00 0.00 178.44 179.26 2kmg h ALA 105 N 1.24 1.42 0.00 1.53 0.00 -1.46 -2.27 119.26 119.72 2kmg h ALA 105 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kmg h ALA 105 Cb -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2kmg h ALA 105 CO -0.07 0.44 -0.45 0.00 0.00 0.00 0.00 179.25 179.16 2kmg h ALA 106 N 1.51 0.71 -0.48 0.00 0.00 -1.16 -3.33 119.26 116.52 2kmg h ALA 106 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 2kmg h ALA 106 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kmg h ALA 106 CO -0.02 0.00 -0.19 1.49 0.00 0.00 0.00 179.25 180.53 2kmg h GLU 107 N 0.00 0.95 -0.45 0.00 4.57 -0.00 -2.46 114.58 117.19 2kmg h GLU 107 Ca 0.00 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 2kmg h GLU 107 Cb 0.79 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2kmg h GLU 107 CO 0.00 1.05 0.00 0.44 -1.18 0.00 0.00 179.01 179.32 2kmg n ILE 108 N -4.12 0.40 -1.21 2.32 -5.35 -1.20 -5.01 119.36 105.19 2kmg n ILE 108 Ca 0.00 -0.27 0.07 0.00 -0.27 0.00 0.00 62.75 62.28 2kmg n ILE 108 Cb 0.44 -0.10 -0.04 0.00 -1.74 0.00 0.00 39.64 38.20 2kmg n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kmg n ALA 109 N 0.07 -2.33 -2.67 -1.28 0.00 -0.93 -4.65 120.51 108.71 2kmg n ALA 109 Ca 0.06 0.57 -0.42 0.00 0.00 0.00 0.00 53.44 53.65 2kmg n ALA 109 Cb 0.27 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 2kmg n ALA 109 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kmg s ASP 110 N -5.74 6.25 0.00 0.00 -1.08 -1.26 -4.48 116.67 110.36 2kmg s ASP 110 Ca 0.00 -0.88 0.00 0.00 -0.52 0.00 0.00 52.55 51.15 2kmg s ASP 110 Cb 0.00 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 2kmg s ASP 110 CO 0.00 -1.62 0.00 0.35 0.52 0.00 0.00 175.17 174.42 2kmg n THR 111 N 6.25 0.00 0.04 1.71 -2.24 -1.26 -5.05 114.28 113.73 2kmg n THR 111 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2kmg n THR 111 Cb 0.48 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 2kmg n THR 111 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2kmg n ASP 112 N -0.88 -0.05 0.00 3.42 -0.08 -1.26 -4.83 116.55 112.87 2kmg n ASP 112 Ca 0.00 0.13 0.06 0.00 -1.51 0.00 0.00 54.79 53.47 2kmg n ASP 112 Cb 0.00 0.12 0.31 0.00 2.34 0.00 0.00 41.12 43.89 2kmg n ASP 112 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kmg n ALA 113 N -2.75 1.70 -2.04 -1.67 0.00 -1.26 -4.67 120.51 109.82 2kmg n ALA 113 Ca 0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 2kmg n ALA 113 Cb 0.00 -1.21 0.04 0.00 0.00 0.00 0.00 19.45 18.28 2kmg n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmg s ALA 114 N -2.71 3.38 0.00 0.00 0.00 -1.26 -3.91 121.76 117.26 2kmg s ALA 114 Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2kmg s ALA 114 Cb 0.09 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2kmg s ALA 114 CO 0.21 -0.92 0.00 -3.47 0.00 0.00 0.00 175.76 171.58 2kmg n ASP 115 N -2.61 0.00 -0.07 0.00 2.03 -1.26 -4.73 116.55 109.91 2kmg n ASP 115 Ca 0.06 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.24 2kmg n ASP 115 Cb 0.59 -2.19 -0.11 0.00 -0.72 0.00 0.00 41.12 38.69 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 0.03 0.00 -1.67 0.00 -1.83 -3.28 119.26 112.50 2kmg h ALA 116 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2kmg h ALA 116 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2kmg h ALA 116 CO 0.00 0.09 0.00 1.37 0.00 0.00 0.00 179.25 180.71 2kmg h LEU 117 N -1.00 0.00 -2.68 0.00 -0.00 -1.85 -1.91 115.31 107.88 2kmg h LEU 117 Ca -0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.85 2kmg h LEU 117 Cb 0.91 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.57 2kmg h LEU 117 CO -0.02 0.00 0.08 0.40 -0.00 0.00 0.00 178.44 178.89 2kmg h ILE 118 N 0.00 0.12 -0.87 0.15 1.08 -1.88 -2.37 117.51 113.74 2kmg h ILE 118 Ca 0.00 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.69 2kmg h ILE 118 Cb 0.24 0.93 -0.13 0.00 -3.07 0.00 0.00 36.82 34.78 2kmg h ILE 118 CO 0.00 0.00 0.31 0.44 -0.69 0.00 0.00 178.15 178.21 2kmg h ASP 119 N 0.00 0.16 -0.68 1.72 5.19 -1.51 0.42 116.42 121.71 2kmg h ASP 119 Ca 0.01 0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 2kmg h ASP 119 Cb 0.17 0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 2kmg h ASP 119 CO -0.00 -0.07 0.35 0.03 -3.12 0.00 0.00 179.24 176.42 2kmg h ARG 120 N 0.30 1.00 -0.04 3.56 -0.00 -1.68 -2.92 114.38 114.59 2kmg h ARG 120 Ca 0.54 -0.13 0.03 0.00 -0.50 0.00 0.00 59.98 59.93 2kmg h ARG 120 Cb 1.06 -0.19 -0.04 0.00 0.00 0.00 0.00 29.97 30.80 2kmg h ARG 120 CO -0.58 0.76 -0.19 -0.92 0.00 0.00 0.00 179.97 179.04 2kmg h TYR 121 N 0.99 -0.51 -0.71 3.04 5.03 -0.33 -1.41 116.97 123.08 2kmg h TYR 121 Ca 0.25 0.02 0.14 0.00 2.58 0.00 0.00 58.73 61.72 2kmg h TYR 121 Cb 0.09 0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.56 2kmg h TYR 121 CO 0.01 -0.27 0.48 0.45 -1.32 0.00 0.00 178.16 177.50 2kmg h HIS 122 N -0.29 0.41 0.49 -3.82 3.86 -1.31 -0.73 115.15 113.76 2kmg h HIS 122 Ca 0.07 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2kmg h HIS 122 Cb 0.39 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2kmg h HIS 122 CO -0.26 0.16 -0.24 0.74 0.86 0.00 0.00 177.93 179.20 2kmg h PHE 123 N 0.36 -0.61 0.09 2.45 0.04 -1.20 -2.95 116.94 115.11 2kmg h PHE 123 Ca 0.34 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.11 2kmg h PHE 123 Cb 0.84 0.20 -0.03 0.00 2.20 0.00 0.00 35.95 39.17 2kmg h PHE 123 CO -0.00 -0.30 -0.18 1.25 -0.60 0.00 0.00 178.31 178.48 2kmg h LEU 124 N -1.03 -0.50 -1.94 1.54 5.85 -0.99 -1.46 115.31 116.78 2kmg h LEU 124 Ca -0.07 0.06 0.33 0.00 0.84 0.00 0.00 57.88 59.04 2kmg h LEU 124 Cb 0.59 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 2kmg h LEU 124 CO 0.11 -0.25 0.86 -0.09 -0.34 0.00 0.00 178.44 178.73 2kmg h ARG 125 N -0.34 0.00 0.00 1.25 2.43 -1.24 0.46 114.38 116.95 2kmg h ARG 125 Ca 0.03 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 2kmg h ARG 125 Cb 0.36 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2kmg h ARG 125 CO -0.11 0.00 -0.91 0.78 -1.51 0.00 0.00 179.97 178.23 2kmg h GLY 126 N 0.00 0.00 1.47 2.80 0.00 -1.09 -3.32 103.07 102.94 2kmg h GLY 126 Ca 0.54 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.68 2kmg h GLY 126 CO -0.01 0.00 -0.74 -2.75 0.00 0.00 0.00 176.54 173.05 2kmg h PHE 127 N 0.00 0.70 0.00 5.60 3.57 0.28 -2.98 116.94 124.11 2kmg h PHE 127 Ca -0.05 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.15 2kmg h PHE 127 Cb 1.62 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.25 2kmg h PHE 127 CO 0.00 1.08 0.00 0.00 -2.23 0.00 0.00 178.31 177.16 2kmg n ALA 128 N -2.54 1.32 0.30 2.41 0.00 -0.86 -1.71 120.51 119.43 2kmg n ALA 128 Ca -0.05 0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.63 2kmg n ALA 128 Cb 0.71 -1.25 0.63 0.00 0.00 0.00 0.00 19.45 19.55 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 2.17 1.00 -0.01 0.00 0.00 -1.65 -2.47 119.26 118.30 2kmg h ALA 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kmg h ALA 129 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kmg h ALA 129 CO 0.00 0.00 -0.35 0.41 0.00 0.00 0.00 179.25 179.31 2kmg n GLY 130 N 0.09 -0.50 3.82 0.00 0.00 -0.69 -4.81 105.19 103.10 2kmg n GLY 130 Ca 0.01 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.54 3.27 0.38 1.61 3.76 -0.93 -4.96 115.29 115.87 2kmg s HIS 131 Ca 0.22 1.60 0.08 0.00 -0.15 0.00 0.00 55.06 56.81 2kmg s HIS 131 Cb 0.19 -2.88 0.81 0.00 1.11 0.00 0.00 32.58 31.81 2kmg s HIS 131 CO 0.56 -0.22 1.95 -1.35 -0.85 0.00 0.00 174.74 174.82 2kmg h PRO 132 N 1.83 0.65 -0.61 8.40 0.11 -1.91 -0.14 132.00 140.33 2kmg h PRO 132 Ca -0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 2kmg h PRO 132 Cb 1.19 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2kmg h PRO 132 CO 0.61 0.43 0.00 0.39 -0.21 0.00 0.00 178.00 179.22 2kmg n GLU 133 N -4.49 4.66 -0.33 1.05 4.71 -1.26 -4.60 120.64 120.37 2kmg n GLU 133 Ca 0.12 -2.95 0.13 0.00 -0.01 0.00 0.00 57.16 54.45 2kmg n GLU 133 Cb 0.30 -2.22 0.28 0.00 -1.01 0.00 0.00 31.44 28.78 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kmg h ALA 134 N 3.88 1.14 -0.72 0.62 0.00 -1.15 0.55 119.26 123.58 2kmg h ALA 134 Ca 0.00 0.32 0.09 0.00 0.00 0.00 0.00 54.91 55.32 2kmg h ALA 134 Cb 1.89 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 20.17 2kmg h ALA 134 CO 0.46 -0.55 0.37 0.00 0.00 0.00 0.00 179.25 179.53 2kmg h ALA 135 N 1.94 0.99 -0.30 0.00 0.00 -1.83 -1.15 119.26 118.91 2kmg h ALA 135 Ca 0.58 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.39 2kmg h ALA 135 Cb 1.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2kmg h ALA 135 CO -0.88 -0.02 -0.40 0.00 0.00 0.00 0.00 179.25 177.95 2kmg h ALA 136 N 1.42 0.73 0.16 0.00 0.00 -0.32 -2.73 119.26 118.52 2kmg h ALA 136 Ca 0.35 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kmg h ALA 136 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kmg h ALA 136 CO -0.25 0.66 -0.08 0.82 0.00 0.00 0.00 179.25 180.40 2kmg h ILE 137 N 0.60 0.94 -0.36 0.00 2.04 -0.44 0.54 117.51 120.83 2kmg h ILE 137 Ca 0.05 -0.51 -0.09 0.00 1.00 0.00 0.00 64.86 65.31 2kmg h ILE 137 Cb 0.94 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2kmg h ILE 137 CO 0.09 0.12 -0.14 0.10 0.00 0.00 0.00 178.15 178.31 2kmg h TYR 138 N -0.47 0.70 -0.01 1.37 -0.00 -1.32 -2.40 116.97 114.84 2kmg h TYR 138 Ca -0.02 -0.13 -0.15 0.00 -0.00 0.00 0.00 58.73 58.43 2kmg h TYR 138 Cb 0.36 -0.18 -0.02 0.00 -0.00 0.00 0.00 36.73 36.89 2kmg h TYR 138 CO 0.01 0.75 -0.70 0.07 -0.00 0.00 0.00 178.16 178.28 2kmg h ARG 139 N 0.58 0.07 -0.31 0.10 0.11 -1.49 0.83 114.38 114.27 2kmg h ARG 139 Ca 0.10 -0.06 -0.06 0.00 0.10 0.00 0.00 59.98 60.06 2kmg h ARG 139 Cb 0.58 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.66 2kmg h ARG 139 CO 0.04 0.74 -0.06 0.00 0.10 0.00 0.00 179.97 180.79 2kmg h ALA 140 N 1.24 1.32 0.00 0.08 0.00 -0.44 -2.72 119.26 118.74 2kmg h ALA 140 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kmg h ALA 140 Cb 1.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kmg h ALA 140 CO 0.10 0.46 -1.20 0.44 0.00 0.00 0.00 179.25 179.05 2kmg n ILE 141 N -4.24 0.20 0.47 0.00 -5.35 -0.95 -4.62 119.36 104.88 2kmg n ILE 141 Ca 0.01 -0.33 0.04 0.00 -0.27 0.00 0.00 62.75 62.20 2kmg n ILE 141 Cb 0.28 0.12 0.22 0.00 -1.74 0.00 0.00 39.64 38.52 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12