#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 -6.76 -1.56 7.83 3.02 -1.26 -4.90 115.26 111.63 2kmg n ASN 2 Ca 0.00 1.29 0.08 0.00 -0.03 0.00 0.00 54.58 55.92 2kmg n ASN 2 Cb 0.00 -4.78 0.34 0.00 -0.61 0.00 0.00 39.78 34.73 2kmg n ASN 2 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2kmg n THR 3 N 0.97 1.87 -1.10 3.41 5.66 -1.26 -4.98 114.28 118.86 2kmg n THR 3 Ca -0.06 -1.12 -0.30 0.00 -3.05 0.00 0.00 64.05 59.51 2kmg n THR 3 Cb 0.16 -0.00 0.14 0.00 -1.55 0.00 0.00 70.33 69.08 2kmg n THR 3 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2kmg s GLU 4 N -2.00 1.31 0.58 1.09 0.41 -1.26 -5.06 118.70 113.77 2kmg s GLU 4 Ca 0.48 1.01 0.10 0.00 -0.41 0.00 0.00 54.97 56.14 2kmg s GLU 4 Cb 0.32 -1.80 0.10 0.00 -1.78 0.00 0.00 34.13 30.97 2kmg s GLU 4 CO 0.21 -2.25 0.79 0.39 -0.49 0.00 0.00 175.26 173.91 2kmg n GLU 5 N -3.92 0.60 -0.66 1.61 4.71 -1.26 -5.09 120.64 116.63 2kmg n GLU 5 Ca 0.08 -3.15 -0.31 0.00 -0.01 0.00 0.00 57.16 53.77 2kmg n GLU 5 Cb 0.54 -0.22 0.17 0.00 -1.01 0.00 0.00 31.44 30.92 2kmg n GLU 5 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kmg n GLN 6 N -2.26 -0.91 0.00 3.49 10.64 -1.26 -4.79 117.38 122.30 2kmg n GLN 6 Ca 0.16 -0.22 0.00 0.00 -1.83 0.00 0.00 57.00 55.11 2kmg n GLN 6 Cb 0.60 -2.14 0.00 0.00 -0.86 0.00 0.00 30.24 27.84 2kmg n GLN 6 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 2kmg n PRO 7 N -3.55 0.00 -5.14 2.61 -0.02 -1.26 -4.45 135.00 123.19 2kmg n PRO 7 Ca 0.08 0.07 -0.30 0.00 -2.02 0.00 0.00 63.50 61.32 2kmg n PRO 7 Cb 0.54 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.35 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 -2.10 1.89 -0.10 -1.45 1.01 -1.26 -5.00 120.40 113.39 2kmg s VAL 8 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 2kmg s VAL 8 Cb 0.00 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.79 2kmg s VAL 8 CO 0.00 0.53 0.31 0.42 0.00 0.00 0.00 175.10 176.36 2kmg s THR 9 N 0.01 0.01 0.87 3.92 -4.23 -1.26 -4.90 115.64 110.05 2kmg s THR 9 Ca -0.07 -0.07 -0.15 0.00 -1.18 0.00 0.00 61.69 60.23 2kmg s THR 9 Cb -0.14 -0.46 0.20 0.00 1.34 0.00 0.00 72.50 73.44 2kmg s THR 9 CO 0.04 -0.04 1.18 0.00 -0.54 0.00 0.00 174.62 175.27 2kmg n ALA 10 N 2.70 -1.34 -3.44 3.99 0.00 -1.26 -2.65 120.51 118.50 2kmg n ALA 10 Ca -0.14 -1.55 -0.10 0.00 0.00 0.00 0.00 53.44 51.64 2kmg n ALA 10 Cb 0.58 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -5.34 -0.43 -0.23 0.00 0.15 -0.40 -4.86 113.70 102.60 2kmg s SER 11 Ca 0.67 -0.23 -0.13 0.00 0.70 0.00 0.00 55.95 56.96 2kmg s SER 11 Cb -0.02 0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 2kmg s SER 11 CO 0.47 -1.04 0.30 -0.22 1.20 0.00 0.00 173.24 173.94 2kmg s LEU 12 N -2.81 4.12 0.34 3.45 2.96 -1.26 -0.47 118.68 125.00 2kmg s LEU 12 Ca 0.05 0.31 -0.13 0.00 -0.22 0.00 0.00 54.13 54.14 2kmg s LEU 12 Cb -0.02 -2.33 -0.08 0.00 0.50 0.00 0.00 46.19 44.27 2kmg s LEU 12 CO -0.07 -0.04 0.72 -0.69 -1.32 0.00 0.00 176.35 174.95 2kmg s VAL 13 N 1.35 4.75 0.78 1.68 1.01 -1.23 -4.98 120.40 123.76 2kmg s VAL 13 Ca 0.14 0.77 -0.15 0.00 0.00 0.00 0.00 61.98 62.73 2kmg s VAL 13 Cb -0.14 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2kmg s VAL 13 CO 0.07 -0.29 0.58 0.00 0.00 0.00 0.00 175.10 175.46 2kmg n ALA 14 N -0.68 -1.57 0.17 5.51 0.00 -1.26 -4.67 120.51 118.01 2kmg n ALA 14 Ca 0.03 -0.33 0.02 0.00 0.00 0.00 0.00 53.44 53.16 2kmg n ALA 14 Cb 0.53 -1.89 0.28 0.00 0.00 0.00 0.00 19.45 18.37 2kmg n ALA 14 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kmg h GLU 15 N -0.68 0.00 -0.01 0.00 4.11 -1.99 0.18 114.58 116.18 2kmg h GLU 15 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2kmg h GLU 15 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2kmg h GLU 15 CO 0.41 0.48 -0.30 0.00 0.07 0.00 0.00 179.01 179.67 2kmg n ALA 16 N -2.39 3.18 0.11 1.06 0.00 -1.26 -4.06 120.51 117.15 2kmg n ALA 16 Ca -0.01 -0.50 0.03 0.00 0.00 0.00 0.00 53.44 52.95 2kmg n ALA 16 Cb 0.52 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.27 2.24 0.19 0.00 1.13 -1.07 -4.54 117.38 115.05 2kmg n GLN 17 Ca 0.12 -0.03 0.06 0.00 -1.94 0.00 0.00 57.00 55.21 2kmg n GLN 17 Cb 0.40 -0.98 0.29 0.00 0.11 0.00 0.00 30.24 30.06 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 -0.79 0.13 114.38 112.74 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 0.21 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.29 2kmg h ARG 18 CO 0.00 0.35 -0.14 1.37 0.10 0.00 0.00 179.97 181.65 2kmg h LEU 19 N 0.00 0.00 0.00 0.08 8.10 -1.80 -2.89 115.31 118.80 2kmg h LEU 19 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kmg h LEU 19 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.21 2kmg h LEU 19 CO 0.05 0.14 -0.95 -0.67 -4.11 0.00 0.00 178.44 172.89 2kmg n ASP 20 N -3.46 1.83 0.17 0.17 2.03 -1.12 -4.49 116.55 111.69 2kmg n ASP 20 Ca -0.01 -0.31 0.03 0.00 0.52 0.00 0.00 54.79 55.02 2kmg n ASP 20 Cb 0.30 1.22 0.41 0.00 -0.72 0.00 0.00 41.12 42.34 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 0.10 0.24 -0.67 3.04 -0.52 -0.78 116.94 118.35 2kmg h PHE 21 Ca 0.00 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 2kmg h PHE 21 Cb 0.31 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.80 2kmg h PHE 21 CO 0.00 0.31 -0.12 1.25 -2.02 0.00 0.00 178.31 177.74 2kmg h LEU 22 N 0.09 -0.28 -0.89 0.59 5.85 -1.76 -1.38 115.31 117.53 2kmg h LEU 22 Ca 0.01 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2kmg h LEU 22 Cb 0.45 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2kmg h LEU 22 CO 0.03 0.20 0.00 1.55 -0.34 0.00 0.00 178.44 179.88 2kmg h PRO 23 N -0.87 0.00 0.15 5.25 0.13 -1.65 0.51 132.00 135.51 2kmg h PRO 23 Ca -0.03 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.75 2kmg h PRO 23 Cb 0.51 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 2kmg h PRO 23 CO 0.06 0.00 -1.80 1.15 -0.23 0.00 0.00 178.00 177.18 2kmg h THR 24 N 0.00 0.81 0.00 1.56 2.02 -1.13 -1.65 112.91 114.52 2kmg h THR 24 Ca 0.00 -2.41 -0.24 0.00 0.77 0.00 0.00 66.41 64.53 2kmg h THR 24 Cb 0.34 2.63 -0.04 0.00 -1.74 0.00 0.00 68.15 69.34 2kmg h THR 24 CO 0.00 0.84 -1.88 -1.22 0.37 0.00 0.00 175.52 173.63 2kmg n TYR 25 N -3.62 0.00 -0.03 3.16 4.01 -0.52 -4.65 117.16 115.50 2kmg n TYR 25 Ca -0.28 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.26 2kmg n TYR 25 Cb 1.03 -0.63 -0.13 0.00 -0.31 0.00 0.00 39.34 39.29 2kmg n TYR 25 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2kmg n PHE 26 N -2.49 0.92 0.00 -0.72 7.35 0.16 -5.07 117.46 117.61 2kmg n PHE 26 Ca -0.21 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2kmg n PHE 26 Cb 0.92 -1.12 0.00 0.00 0.35 0.00 0.00 39.48 39.63 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 2.06 4.48 0.33 7.13 0.00 0.08 -4.65 105.19 114.61 2kmg n GLY 27 Ca -0.35 -0.95 0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 0.04 1.61 0.13 -1.55 -0.53 132.00 131.70 2kmg h PRO 28 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.75 2kmg h PRO 28 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2kmg h PRO 28 CO 0.00 0.01 -2.33 -2.13 -0.23 0.00 0.00 178.00 173.32 2kmg n ARG 29 N -3.20 0.68 0.02 0.86 0.00 -1.26 -4.44 116.66 109.32 2kmg n ARG 29 Ca -0.03 0.19 -0.02 0.00 -0.00 0.00 0.00 57.85 57.99 2kmg n ARG 29 Cb 0.10 -1.58 0.24 0.00 0.00 0.00 0.00 32.46 31.23 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 0.01 0.47 -0.59 6.15 4.07 -1.71 -3.21 115.31 120.50 2kmg h LEU 30 Ca -0.53 -0.13 0.24 0.00 0.08 0.00 0.00 57.88 57.53 2kmg h LEU 30 Cb 1.94 -0.13 -0.11 0.00 1.08 0.00 0.00 40.66 43.45 2kmg h LEU 30 CO -0.04 0.66 0.28 1.15 -1.08 0.00 0.00 178.44 179.41 2kmg n MET 31 N -4.18 -0.04 -0.11 1.13 0.00 -0.25 0.17 117.12 113.85 2kmg n MET 31 Ca 0.00 0.82 -0.14 0.00 0.00 0.00 0.00 57.70 58.38 2kmg n MET 31 Cb 0.35 -1.45 -0.13 0.00 0.00 0.00 0.00 33.22 31.99 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 -4.38 0.71 0.08 3.17 0.00 -1.23 -3.41 117.12 112.07 2kmg n MET 32 Ca 0.21 0.09 0.10 0.00 0.00 0.00 0.00 57.70 58.10 2kmg n MET 32 Cb 0.72 -1.49 0.41 0.00 0.00 0.00 0.00 33.22 32.87 2kmg n MET 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2kmg n ARG 33 N -3.03 0.11 -0.08 3.17 5.12 0.14 -2.15 116.66 119.94 2kmg n ARG 33 Ca -0.39 0.36 -0.14 0.00 -1.93 0.00 0.00 57.85 55.76 2kmg n ARG 33 Cb 1.01 -1.72 -0.07 0.00 -1.16 0.00 0.00 32.46 30.53 2kmg n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kmg n GLY 34 N -0.07 -0.24 0.25 -0.13 0.00 0.46 -4.39 105.19 101.07 2kmg n GLY 34 Ca 0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 0.82 -0.46 1.61 4.81 -1.59 -1.72 114.58 117.83 2kmg h GLU 35 Ca -0.39 -0.09 0.10 0.00 -0.13 0.00 0.00 59.36 58.85 2kmg h GLU 35 Cb 1.49 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 2kmg h GLU 35 CO -0.13 0.61 0.32 0.00 -0.73 0.00 0.00 179.01 179.08 2kmg h ALA 36 N 1.16 2.16 0.09 2.92 0.00 -1.69 -2.02 119.26 121.88 2kmg h ALA 36 Ca 0.21 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.89 2kmg h ALA 36 Cb 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.80 2kmg h ALA 36 CO -0.04 -0.27 -0.91 -0.07 0.00 0.00 0.00 179.25 177.96 2kmg h LEU 37 N 0.21 0.65 -0.85 0.00 4.07 -1.57 -1.57 115.31 116.25 2kmg h LEU 37 Ca 0.22 -0.84 0.05 0.00 0.08 0.00 0.00 57.88 57.38 2kmg h LEU 37 Cb 0.58 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 42.06 2kmg h LEU 37 CO -0.04 1.42 0.54 0.58 -1.08 0.00 0.00 178.44 179.86 2kmg h VAL 38 N -0.04 1.09 0.00 1.22 2.07 -0.66 -1.44 116.25 118.49 2kmg h VAL 38 Ca -0.14 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 2kmg h VAL 38 Cb 1.64 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2kmg h VAL 38 CO 0.18 0.19 -0.63 0.10 0.02 0.00 0.00 177.57 177.42 2kmg h TYR 39 N 1.01 0.00 -0.52 1.57 -0.00 -1.49 -3.08 116.97 114.46 2kmg h TYR 39 Ca 0.35 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 59.01 2kmg h TYR 39 Cb 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.79 2kmg h TYR 39 CO -0.03 0.39 0.05 0.00 -0.00 0.00 0.00 178.16 178.57 2kmg h ALA 40 N 1.61 0.69 -0.01 0.10 0.00 -0.32 -1.86 119.26 119.48 2kmg h ALA 40 Ca -0.03 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 2kmg h ALA 40 Cb 1.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2kmg h ALA 40 CO 0.04 0.46 -0.70 -1.49 0.00 0.00 0.00 179.25 177.57 2kmg h TRP 41 N 0.76 0.09 0.23 0.00 4.06 -1.39 -3.27 115.95 116.43 2kmg h TRP 41 Ca 0.15 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 61.05 2kmg h TRP 41 Cb 0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.60 2kmg h TRP 41 CO 0.03 0.74 -0.11 1.98 -3.56 0.00 0.00 178.44 177.52 2kmg h MET 42 N 0.04 -0.29 0.00 0.49 4.05 -1.40 -2.52 114.93 115.30 2kmg h MET 42 Ca -0.01 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2kmg h MET 42 Cb 1.24 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 2kmg h MET 42 CO 0.10 -0.04 0.05 2.89 0.23 0.00 0.00 176.91 180.13 2kmg n ARG 43 N -5.13 0.12 0.06 0.39 1.85 -0.72 -1.10 116.66 112.12 2kmg n ARG 43 Ca -0.09 0.61 -0.20 0.00 -1.00 0.00 0.00 57.85 57.16 2kmg n ARG 43 Cb 0.21 -1.93 -0.15 0.00 -1.05 0.00 0.00 32.46 29.54 2kmg n ARG 43 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 2kmg h ARG 44 N 0.00 0.32 -0.19 2.89 2.43 -1.51 -3.34 114.38 114.98 2kmg h ARG 44 Ca 0.00 -0.54 0.01 0.00 -0.81 0.00 0.00 59.98 58.63 2kmg h ARG 44 Cb 0.11 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2kmg h ARG 44 CO 0.00 1.21 0.13 -0.07 -1.51 0.00 0.00 179.97 179.73 2kmg h LEU 45 N 0.09 0.20 -8.96 3.80 3.38 -0.77 -3.43 115.31 109.62 2kmg h LEU 45 Ca -0.33 -0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.02 2kmg h LEU 45 Cb 2.07 -0.05 -0.19 0.00 0.09 0.00 0.00 40.66 42.58 2kmg h LEU 45 CO 0.16 0.14 -0.81 0.00 0.09 0.00 0.00 178.44 178.02 2kmg n GLU 47 N 0.32 0.48 -0.09 0.00 -0.00 -1.26 -4.04 120.64 116.05 2kmg n GLU 47 Ca -0.13 0.03 0.04 0.00 -0.00 0.00 0.00 57.16 57.10 2kmg n GLU 47 Cb 0.56 -1.69 0.08 0.00 -0.00 0.00 0.00 31.44 30.39 2kmg n GLU 47 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2kmg n ARG 48 N -2.33 2.20 -1.85 3.44 1.85 -1.26 -4.95 116.66 113.77 2kmg n ARG 48 Ca 0.00 -1.63 -0.24 0.00 -1.00 0.00 0.00 57.85 54.99 2kmg n ARG 48 Cb 0.50 -1.16 -0.05 0.00 -1.05 0.00 0.00 32.46 30.70 2kmg n ARG 48 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 2kmg s TYR 49 N -0.90 1.51 0.10 2.89 6.14 -1.26 -4.76 117.35 121.07 2kmg s TYR 49 Ca 0.13 1.19 -0.12 0.00 0.64 0.00 0.00 57.07 58.91 2kmg s TYR 49 Cb 0.07 -3.80 -0.16 0.00 0.42 0.00 0.00 41.96 38.49 2kmg s TYR 49 CO 0.10 -1.79 1.29 -0.91 0.64 0.00 0.00 175.55 174.88 2kmg h ASN 50 N 12.69 0.92 -0.90 4.32 -0.26 -1.95 -3.43 115.58 126.97 2kmg h ASN 50 Ca 0.01 -0.63 0.00 0.00 -0.56 0.00 0.00 56.30 55.12 2kmg h ASN 50 Cb 1.04 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 38.02 2kmg h ASN 50 CO 1.14 1.43 0.00 0.61 -1.06 0.00 0.00 177.43 179.54 2kmg n GLY 51 N 0.77 -1.72 3.88 2.83 0.00 -1.26 -5.07 105.19 104.61 2kmg n GLY 51 Ca -0.08 -1.45 0.01 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 s ALA 52 N -1.55 -2.28 -0.78 4.61 0.00 -1.26 -4.99 121.76 115.50 2kmg s ALA 52 Ca 0.00 0.15 -0.21 0.00 0.00 0.00 0.00 51.96 51.90 2kmg s ALA 52 Cb 0.00 0.74 0.09 0.00 0.00 0.00 0.00 23.12 23.95 2kmg s ALA 52 CO 0.00 -1.11 1.05 0.71 0.00 0.00 0.00 175.76 176.41 2kmg s TYR 53 N -2.16 2.85 -1.15 0.00 2.02 -1.26 -4.71 117.35 112.93 2kmg s TYR 53 Ca 0.24 -0.91 -0.21 0.00 -0.37 0.00 0.00 57.07 55.83 2kmg s TYR 53 Cb 0.01 -4.30 -0.06 0.00 -0.40 0.00 0.00 41.96 37.21 2kmg s TYR 53 CO -0.01 -1.59 1.91 0.91 -1.57 0.00 0.00 175.55 175.20 2kmg n TRP 54 N 7.28 3.08 -1.63 2.71 8.01 -1.26 -0.93 117.44 134.70 2kmg n TRP 54 Ca 0.09 -1.98 -0.43 0.00 -1.31 0.00 0.00 57.50 53.87 2kmg n TRP 54 Cb 0.47 -2.44 -0.01 0.00 -2.01 0.00 0.00 31.31 27.33 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 10.91 1.60 -2.92 -5.99 8.25 0.20 -4.45 115.22 122.83 2kmg n HIS 55 Ca 0.47 0.62 -0.40 0.00 -0.26 0.00 0.00 57.72 58.15 2kmg n HIS 55 Cb 0.45 -2.30 -0.05 0.00 1.12 0.00 0.00 29.99 29.20 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 -1.12 3.77 0.02 4.41 2.02 -1.26 -1.38 117.35 123.81 2kmg s TYR 56 Ca 0.58 1.57 0.08 0.00 -0.37 0.00 0.00 57.07 58.93 2kmg s TYR 56 Cb -0.62 -2.87 -0.02 0.00 -0.40 0.00 0.00 41.96 38.04 2kmg s TYR 56 CO 0.60 0.28 -0.22 0.71 -1.57 0.00 0.00 175.55 175.35 2kmg s TYR 57 N -0.16 1.99 -0.34 2.71 2.02 0.84 -3.49 117.35 120.91 2kmg s TYR 57 Ca 0.40 -0.38 -0.06 0.00 -0.37 0.00 0.00 57.07 56.67 2kmg s TYR 57 Cb -0.21 -1.22 0.05 0.00 -0.40 0.00 0.00 41.96 40.17 2kmg s TYR 57 CO 0.25 0.05 0.10 0.00 -1.57 0.00 0.00 175.55 174.38 2kmg s ALA 58 N -0.69 3.02 0.30 3.71 0.00 0.37 -2.63 121.76 125.85 2kmg s ALA 58 Ca 0.09 -1.82 -0.19 0.00 0.00 0.00 0.00 51.96 50.04 2kmg s ALA 58 Cb -0.09 -2.24 -0.09 0.00 0.00 0.00 0.00 23.12 20.70 2kmg s ALA 58 CO 0.01 -1.37 0.79 -0.51 0.00 0.00 0.00 175.76 174.68 2kmg s LEU 59 N 1.36 4.17 0.00 0.00 1.43 -1.26 -1.28 118.68 123.11 2kmg s LEU 59 Ca -0.02 1.45 0.22 0.00 -1.03 0.00 0.00 54.13 54.76 2kmg s LEU 59 Cb -0.20 -3.97 1.00 0.00 0.03 0.00 0.00 46.19 43.05 2kmg s LEU 59 CO 0.02 -0.13 1.72 -1.20 0.23 0.00 0.00 176.35 176.98 2kmg n SER 60 N 0.08 0.00 -0.02 2.29 7.64 -1.09 -2.90 113.62 119.62 2kmg n SER 60 Ca 0.02 0.35 -0.06 0.00 1.01 0.00 0.00 58.87 60.19 2kmg n SER 60 Cb 0.52 -0.44 -0.13 0.00 -1.01 0.00 0.00 64.21 63.15 2kmg n SER 60 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kmg n ASP 61 N -1.44 0.72 0.00 6.43 -0.08 -1.26 -4.98 116.55 115.93 2kmg n ASP 61 Ca 0.07 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 2kmg n ASP 61 Cb 0.24 0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.90 2kmg n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kmg n GLY 62 N 1.54 1.47 0.08 0.27 0.00 -1.14 -5.04 105.19 102.36 2kmg n GLY 62 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -3.55 -0.02 0.00 -1.82 -3.45 103.07 94.23 2kmg h GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kmg h GLY 63 CO 0.00 0.00 -0.74 0.69 0.00 0.00 0.00 176.54 176.49 2kmg n PHE 64 N -4.56 -3.86 -4.30 5.60 3.72 -1.26 -4.88 117.46 107.92 2kmg n PHE 64 Ca -0.17 2.30 -0.17 0.00 -0.05 0.00 0.00 57.45 59.36 2kmg n PHE 64 Cb 0.49 -3.31 -0.10 0.00 -0.94 0.00 0.00 39.48 35.63 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 -0.51 1.49 0.03 1.38 1.13 -1.08 -4.96 117.35 114.83 2kmg s TYR 65 Ca 0.00 -1.35 0.06 0.00 -1.41 0.00 0.00 57.07 54.37 2kmg s TYR 65 Cb 0.00 -0.79 -0.02 0.00 -1.10 0.00 0.00 41.96 40.05 2kmg s TYR 65 CO 0.00 -0.53 -0.17 -1.64 -2.51 0.00 0.00 175.55 170.69 2kmg s MET 66 N -3.92 1.20 -0.06 -3.49 -1.94 -1.26 -0.11 119.30 109.72 2kmg s MET 66 Ca 0.37 -0.80 -0.00 0.00 -1.71 0.00 0.00 55.69 53.55 2kmg s MET 66 Cb 0.06 -1.25 0.02 0.00 2.01 0.00 0.00 34.83 35.67 2kmg s MET 66 CO 0.16 0.32 -0.03 0.00 -0.01 0.00 0.00 175.02 175.46 2kmg s ALA 67 N -0.73 0.78 0.98 3.03 0.00 -0.48 -4.41 121.76 120.92 2kmg s ALA 67 Ca 0.05 -0.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 2kmg s ALA 67 Cb -0.08 -0.61 0.15 0.00 0.00 0.00 0.00 23.12 22.58 2kmg s ALA 67 CO 0.01 -0.24 0.96 -2.30 0.00 0.00 0.00 175.76 174.20 2kmg n PRO 68 N 4.59 -0.83 -3.43 0.00 -0.02 -1.22 -0.62 135.00 133.47 2kmg n PRO 68 Ca -0.16 -0.19 -0.44 0.00 -2.02 0.00 0.00 63.50 60.70 2kmg n PRO 68 Cb 0.50 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.47 6.53 -0.13 2.55 2.15 -0.10 -4.49 116.67 120.71 2kmg s ASP 69 Ca 0.65 -3.02 -0.04 0.00 0.43 0.00 0.00 52.55 50.57 2kmg s ASP 69 Cb -0.23 -2.12 0.05 0.00 -0.30 0.00 0.00 42.92 40.33 2kmg s ASP 69 CO 0.61 -0.43 0.09 -0.76 -0.17 0.00 0.00 175.17 174.51 2kmg s LEU 70 N -0.34 0.25 0.50 -1.34 1.43 -1.26 -4.44 118.68 113.48 2kmg s LEU 70 Ca 0.21 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 2kmg s LEU 70 Cb -0.12 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 2kmg s LEU 70 CO -0.08 -0.32 0.83 0.00 0.23 0.00 0.00 176.35 177.01 2kmg s ALA 71 N 2.16 3.35 0.00 4.21 0.00 -1.26 -3.51 121.76 126.71 2kmg s ALA 71 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2kmg s ALA 71 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2kmg s ALA 71 CO -0.07 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2kmg n GLY 72 N -2.32 -0.28 3.15 0.00 0.00 -1.26 -4.85 105.19 99.63 2kmg n GLY 72 Ca 0.02 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 2kmg n GLY 72 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kmg s ARG 73 N 0.00 2.62 -0.06 1.61 1.70 -1.26 -4.53 118.95 119.03 2kmg s ARG 73 Ca 0.00 -0.73 0.02 0.00 -0.47 0.00 0.00 55.73 54.55 2kmg s ARG 73 Cb 0.00 -2.02 0.01 0.00 -0.57 0.00 0.00 34.95 32.37 2kmg s ARG 73 CO 0.00 0.12 -0.12 -0.48 -1.08 0.00 0.00 175.30 173.74 2kmg s LEU 74 N 0.47 1.68 -0.21 -1.89 2.34 -1.25 -5.00 118.68 114.82 2kmg s LEU 74 Ca -0.17 -0.29 -0.29 0.00 0.06 0.00 0.00 54.13 53.44 2kmg s LEU 74 Cb -0.17 -0.81 -0.04 0.00 -0.56 0.00 0.00 46.19 44.61 2kmg s LEU 74 CO 0.07 0.05 1.90 -1.83 -1.06 0.00 0.00 176.35 175.48 2kmg s GLU 75 N 0.56 3.51 -0.29 1.48 -1.05 -1.26 -2.12 118.70 119.53 2kmg s GLU 75 Ca -0.12 1.84 0.02 0.00 -0.15 0.00 0.00 54.97 56.56 2kmg s GLU 75 Cb -0.15 -4.20 0.08 0.00 -0.44 0.00 0.00 34.13 29.42 2kmg s GLU 75 CO 0.03 -1.65 0.00 0.42 0.95 0.00 0.00 175.26 175.01 2kmg s ILE 76 N 6.52 1.80 -0.06 1.83 -1.09 -1.17 -4.71 121.20 124.32 2kmg s ILE 76 Ca 0.85 -1.73 -0.28 0.00 -2.23 0.00 0.00 60.65 57.26 2kmg s ILE 76 Cb -0.29 -2.18 -0.03 0.00 -1.58 0.00 0.00 42.46 38.38 2kmg s ILE 76 CO 0.34 -0.37 0.92 -1.61 -1.23 0.00 0.00 174.94 172.99 2kmg s GLU 77 N 1.20 4.48 -0.70 2.79 2.02 0.21 -2.94 118.70 125.76 2kmg s GLU 77 Ca 0.02 1.27 -0.17 0.00 0.02 0.00 0.00 54.97 56.12 2kmg s GLU 77 Cb -0.19 -3.49 0.15 0.00 0.10 0.00 0.00 34.13 30.70 2kmg s GLU 77 CO -0.10 -0.12 0.73 0.08 0.02 0.00 0.00 175.26 175.87 2kmg s VAL 78 N 1.33 5.17 -1.04 2.63 1.01 -0.46 -4.11 120.40 124.94 2kmg s VAL 78 Ca 0.47 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.76 2kmg s VAL 78 Cb -0.19 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.71 2kmg s VAL 78 CO 0.22 -1.08 0.49 0.59 0.00 0.00 0.00 175.10 175.32 2kmg n ASN 79 N 5.30 0.91 0.06 3.32 3.02 -1.26 -1.48 115.26 125.13 2kmg n ASN 79 Ca 0.01 -1.89 0.11 0.00 -0.03 0.00 0.00 54.58 52.79 2kmg n ASN 79 Cb 0.44 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2kmg n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kmg n GLY 80 N 0.04 -1.32 0.17 7.41 0.00 -1.26 -4.53 105.19 105.69 2kmg n GLY 80 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2kmg n GLY 80 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kmg n ASN 81 N -2.35 0.00 -0.25 1.61 0.23 -1.18 -4.90 115.26 108.40 2kmg n ASN 81 Ca 0.00 -1.00 -0.03 0.00 -0.53 0.00 0.00 54.58 53.02 2kmg n ASN 81 Cb 0.51 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.19 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 0.63 3.50 4.83 0.00 -0.55 -4.97 105.19 108.63 2kmg n GLY 82 Ca 0.00 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.03 2.76 -0.43 1.61 5.36 -0.78 -4.90 117.98 119.57 2kmg s PHE 83 Ca 0.00 -0.91 -0.26 0.00 -0.96 0.00 0.00 56.93 54.80 2kmg s PHE 83 Cb 0.00 -4.46 0.02 0.00 -0.34 0.00 0.00 43.02 38.25 2kmg s PHE 83 CO 0.00 -1.73 0.96 0.50 -1.46 0.00 0.00 175.22 173.49 2kmg s ARG 84 N 4.01 3.67 -0.24 10.12 3.52 -1.26 -1.35 118.95 137.42 2kmg s ARG 84 Ca 0.35 0.36 -0.23 0.00 -0.13 0.00 0.00 55.73 56.08 2kmg s ARG 84 Cb -0.06 -3.88 0.06 0.00 -1.56 0.00 0.00 34.95 29.51 2kmg s ARG 84 CO -0.03 -1.15 0.66 0.20 -0.81 0.00 0.00 175.30 174.16 2kmg s GLY 85 N 2.16 -0.49 0.18 8.12 0.00 -1.15 -4.96 107.32 111.18 2kmg s GLY 85 Ca 0.39 1.83 -0.30 0.00 0.00 0.00 0.00 44.72 46.64 2kmg s GLY 85 CO 0.24 1.57 1.14 -0.54 0.00 0.00 0.00 173.10 175.51 2kmg s GLU 86 N 0.29 4.55 -0.02 2.90 8.01 -1.26 -3.06 118.70 130.11 2kmg s GLU 86 Ca -0.00 1.78 -0.19 0.00 0.01 0.00 0.00 54.97 56.56 2kmg s GLU 86 Cb -0.04 -3.26 0.04 0.00 -4.31 0.00 0.00 34.13 26.55 2kmg s GLU 86 CO 0.01 0.01 0.41 -1.17 0.01 0.00 0.00 175.26 174.54 2kmg s LEU 87 N -0.35 0.42 0.73 1.80 2.96 -0.90 -4.89 118.68 118.45 2kmg s LEU 87 Ca 0.50 0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 54.56 2kmg s LEU 87 Cb -0.31 1.63 0.03 0.00 0.50 0.00 0.00 46.19 48.04 2kmg s LEU 87 CO 0.36 -0.50 1.08 -0.94 -1.32 0.00 0.00 176.35 175.02 2kmg s SER 88 N -1.32 4.96 0.11 3.68 1.04 -1.26 -3.88 113.70 117.03 2kmg s SER 88 Ca -0.13 1.74 0.10 0.00 0.48 0.00 0.00 55.95 58.15 2kmg s SER 88 Cb -0.04 -2.51 0.50 0.00 0.10 0.00 0.00 66.02 64.07 2kmg s SER 88 CO 0.06 -1.73 1.31 0.00 0.98 0.00 0.00 173.24 173.86 2kmg n ALA 89 N -3.25 1.17 -0.06 5.32 0.00 -1.23 -0.86 120.51 121.61 2kmg n ALA 89 Ca 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 2kmg n ALA 89 Cb 0.53 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 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 0.72 0.00 3.58 -1.84 -2.02 116.42 116.86 2kmg h ASP 90 Ca 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2kmg h ASP 90 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2kmg h ASP 90 CO 0.00 0.62 0.00 0.00 -2.88 0.00 0.00 179.24 176.98 2kmg n ALA 91 N -3.02 1.90 -0.07 -0.78 0.00 -1.09 -2.96 120.51 114.49 2kmg n ALA 91 Ca -0.03 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 2kmg n ALA 91 Cb 0.12 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.54 1.31 0.33 0.00 0.00 -0.04 -4.09 120.51 116.48 2kmg n ALA 92 Ca 0.05 -0.97 0.22 0.00 0.00 0.00 0.00 53.44 52.73 2kmg n ALA 92 Cb 0.24 -0.37 1.18 0.00 0.00 0.00 0.00 19.45 20.49 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 2.40 0.00 1.20 0.00 0.00 -1.25 -0.59 103.07 104.83 2kmg h GLY 93 Ca -0.49 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 2kmg h GLY 93 CO 0.01 0.00 -0.15 -2.22 0.00 0.00 0.00 176.54 174.18 2kmg h ILE 94 N 0.00 1.27 0.00 2.60 1.08 -1.70 -2.85 117.51 117.90 2kmg h ILE 94 Ca 0.00 -1.28 -0.09 0.00 -0.39 0.00 0.00 64.86 63.10 2kmg h ILE 94 Cb 0.01 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 2kmg h ILE 94 CO 0.00 0.44 -0.57 0.58 -0.69 0.00 0.00 178.15 177.92 2kmg h VAL 95 N 0.82 0.64 -0.09 1.67 2.07 -1.34 -2.71 116.25 117.31 2kmg h VAL 95 Ca 0.12 -1.94 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 2kmg h VAL 95 Cb 0.69 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2kmg h VAL 95 CO 0.05 0.36 0.00 0.00 0.02 0.00 0.00 177.57 178.01 2kmg h ALA 96 N 1.59 0.11 0.19 1.67 0.00 -1.21 -3.00 119.26 118.62 2kmg h ALA 96 Ca -0.02 -0.17 -0.31 0.00 0.00 0.00 0.00 54.91 54.40 2kmg h ALA 96 Cb 1.33 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.11 2kmg h ALA 96 CO 0.05 -0.21 -1.41 0.00 0.00 0.00 0.00 179.25 177.68 2kmg h THR 97 N -0.12 1.34 -0.34 0.00 1.03 -1.63 -3.26 112.91 109.92 2kmg h THR 97 Ca 0.02 -2.85 0.07 0.00 -0.01 0.00 0.00 66.41 63.65 2kmg h THR 97 Cb 0.34 2.96 -0.08 0.00 -1.07 0.00 0.00 68.15 70.29 2kmg h THR 97 CO 0.00 0.85 -0.31 0.25 -0.01 0.00 0.00 175.52 176.31 2kmg h LEU 98 N 0.11 -1.01 -1.60 0.00 5.85 -1.54 0.10 115.31 117.22 2kmg h LEU 98 Ca -0.21 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2kmg h LEU 98 Cb 2.07 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 43.55 2kmg h LEU 98 CO 0.23 -0.32 0.30 -0.26 -0.34 0.00 0.00 178.44 178.06 2kmg h PHE 99 N -0.27 0.50 -0.72 1.25 -1.00 -1.66 -1.77 116.94 113.29 2kmg h PHE 99 Ca 0.16 0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.99 2kmg h PHE 99 Cb 0.52 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.87 2kmg h PHE 99 CO -0.50 0.30 0.45 0.00 -1.61 0.00 0.00 178.31 176.95 2kmg h ALA 100 N 1.73 0.94 -0.91 2.45 0.00 -0.88 -1.67 119.26 120.93 2kmg h ALA 100 Ca 0.18 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2kmg h ALA 100 Cb 0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2kmg h ALA 100 CO -0.04 0.21 0.59 -0.07 0.00 0.00 0.00 179.25 179.94 2kmg h LEU 101 N 0.86 0.99 -1.16 0.00 3.38 -0.44 -1.57 115.31 117.38 2kmg h LEU 101 Ca 0.29 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 2kmg h LEU 101 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2kmg h LEU 101 CO -0.12 0.69 -0.38 1.23 0.09 0.00 0.00 178.44 179.95 2kmg h GLY 102 N 1.16 0.00 0.54 0.83 0.00 -1.23 -2.71 103.07 101.65 2kmg h GLY 102 Ca 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.60 2kmg h GLY 102 CO -0.11 0.00 -0.37 -1.61 0.00 0.00 0.00 176.54 174.44 2kmg h GLN 103 N 0.00 0.24 -0.52 4.80 4.15 -0.58 -3.06 115.11 120.14 2kmg h GLN 103 Ca -0.00 -0.27 0.03 0.00 0.77 0.00 0.00 58.65 59.18 2kmg h GLN 103 Cb 0.76 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 2kmg h GLN 103 CO 0.05 1.00 0.29 -0.07 -1.93 0.00 0.00 178.83 178.17 2kmg h LEU 104 N -0.41 0.45 -1.56 -2.39 3.38 -1.31 0.45 115.31 113.92 2kmg h LEU 104 Ca -0.05 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2kmg h LEU 104 Cb 1.14 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2kmg h LEU 104 CO 0.07 0.31 0.35 0.00 0.09 0.00 0.00 178.44 179.26 2kmg h ALA 105 N 1.25 1.77 0.00 1.53 0.00 -1.57 -1.71 119.26 120.53 2kmg h ALA 105 Ca 0.22 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2kmg h ALA 105 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2kmg h ALA 105 CO -0.12 0.17 -0.72 0.00 0.00 0.00 0.00 179.25 178.58 2kmg h ALA 106 N 1.70 0.60 -0.57 0.00 0.00 -1.18 -3.30 119.26 116.52 2kmg h ALA 106 Ca 0.21 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2kmg h ALA 106 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2kmg h ALA 106 CO -0.06 0.81 0.18 0.93 0.00 0.00 0.00 179.25 181.11 2kmg h GLU 107 N 0.00 0.85 -0.92 0.00 4.39 0.00 -1.80 114.58 117.11 2kmg h GLU 107 Ca -0.02 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 2kmg h GLU 107 Cb 1.50 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 2kmg h GLU 107 CO 0.08 0.74 0.02 0.44 -1.16 0.00 0.00 179.01 179.13 2kmg n ILE 108 N -4.29 0.80 -4.67 3.13 -5.35 -1.14 -5.01 119.36 102.84 2kmg n ILE 108 Ca 0.04 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 2kmg n ILE 108 Cb 0.20 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.59 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 0.14 0.00 -3.89 -1.28 0.00 -0.68 -4.71 120.51 110.09 2kmg n ALA 109 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 2kmg n ALA 109 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 2kmg n ALA 109 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2kmg s ASP 110 N -4.00 3.71 0.00 0.00 -4.77 -1.26 -4.52 116.67 105.83 2kmg s ASP 110 Ca 0.00 -1.17 0.00 0.00 -3.30 0.00 0.00 52.55 48.08 2kmg s ASP 110 Cb 0.00 -1.06 0.00 0.00 -1.09 0.00 0.00 42.92 40.77 2kmg s ASP 110 CO 0.00 -0.26 0.00 0.41 0.70 0.00 0.00 175.17 176.02 2kmg n THR 111 N 4.74 0.00 -0.10 2.11 -1.04 -1.26 -5.02 114.28 113.70 2kmg n THR 111 Ca -0.10 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.75 2kmg n THR 111 Cb 0.44 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.86 2kmg n THR 111 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2kmg n ASP 112 N -1.41 2.23 -0.02 8.00 2.03 -1.26 -5.03 116.55 121.10 2kmg n ASP 112 Ca 0.00 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2kmg n ASP 112 Cb 0.00 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 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 -3.28 0.00 -0.54 -1.67 0.00 -1.26 -4.72 120.51 109.04 2kmg n ALA 113 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2kmg n ALA 113 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.11 0.00 0.00 -1.26 -4.56 120.51 111.58 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 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 0.21 -0.08 0.00 8.00 -1.26 -4.63 116.55 118.78 2kmg n ASP 115 Ca 0.00 -0.54 -0.11 0.00 0.71 0.00 0.00 54.79 54.84 2kmg n ASP 115 Cb 0.00 0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 41.48 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 0.10 0.00 2.24 0.00 -1.89 -3.35 119.26 116.36 2kmg h ALA 116 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2kmg h ALA 116 Cb 0.06 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kmg h ALA 116 CO 0.00 0.46 0.00 1.37 0.00 0.00 0.00 179.25 181.08 2kmg h LEU 117 N -1.00 0.00 -2.39 0.00 -0.00 -1.96 -1.57 115.31 108.38 2kmg h LEU 117 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.75 2kmg h LEU 117 Cb 0.79 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2kmg h LEU 117 CO -0.08 0.00 -0.02 0.40 -0.00 0.00 0.00 178.44 178.74 2kmg h ILE 118 N 0.00 0.53 -0.68 0.15 1.08 -1.82 -2.53 117.51 114.24 2kmg h ILE 118 Ca 0.00 -0.08 0.14 0.00 -0.39 0.00 0.00 64.86 64.54 2kmg h ILE 118 Cb 0.16 1.05 -0.11 0.00 -3.07 0.00 0.00 36.82 34.85 2kmg h ILE 118 CO 0.00 0.02 0.07 0.44 -0.69 0.00 0.00 178.15 177.98 2kmg h ASP 119 N 0.00 -0.18 -0.94 1.72 3.32 -1.47 0.12 116.42 118.99 2kmg h ASP 119 Ca -0.00 0.16 0.11 0.00 0.02 0.00 0.00 57.03 57.31 2kmg h ASP 119 Cb 0.05 0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.78 2kmg h ASP 119 CO 0.00 -0.09 0.60 0.03 -1.72 0.00 0.00 179.24 178.06 2kmg h ARG 120 N 0.17 0.91 -0.01 3.56 -0.00 -1.68 -2.02 114.38 115.31 2kmg h ARG 120 Ca 0.37 -0.05 0.02 0.00 -0.50 0.00 0.00 59.98 59.81 2kmg h ARG 120 Cb 0.61 -0.20 -0.02 0.00 0.00 0.00 0.00 29.97 30.36 2kmg h ARG 120 CO -0.54 0.60 -0.08 -0.92 0.00 0.00 0.00 179.97 179.03 2kmg h TYR 121 N 0.93 -0.21 -0.37 3.04 5.03 -0.90 -1.68 116.97 122.81 2kmg h TYR 121 Ca 0.45 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.75 2kmg h TYR 121 Cb 0.44 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.79 2kmg h TYR 121 CO -0.00 -0.13 0.19 0.45 -1.32 0.00 0.00 178.16 177.35 2kmg h HIS 122 N -0.14 0.49 0.43 -3.82 3.86 -1.16 0.60 115.15 115.42 2kmg h HIS 122 Ca 0.04 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2kmg h HIS 122 Cb 0.18 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2kmg h HIS 122 CO -0.15 0.36 -0.20 0.74 0.86 0.00 0.00 177.93 179.53 2kmg h PHE 123 N 0.51 -0.53 -0.58 2.45 0.04 -0.79 -2.95 116.94 115.10 2kmg h PHE 123 Ca 0.13 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 2kmg h PHE 123 Cb 0.04 0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 2kmg h PHE 123 CO 0.00 -0.22 0.12 1.25 -0.60 0.00 0.00 178.31 178.86 2kmg h LEU 124 N -0.82 0.89 -1.45 1.54 5.85 -1.19 -2.73 115.31 117.40 2kmg h LEU 124 Ca -0.06 -0.25 0.32 0.00 0.84 0.00 0.00 57.88 58.73 2kmg h LEU 124 Cb 0.55 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 2kmg h LEU 124 CO 0.10 0.91 0.74 -0.09 -0.34 0.00 0.00 178.44 179.75 2kmg h ARG 125 N 0.84 0.26 -0.10 1.25 9.65 -0.88 0.31 114.38 125.71 2kmg h ARG 125 Ca 0.18 -0.02 -0.16 0.00 -1.10 0.00 0.00 59.98 58.89 2kmg h ARG 125 Cb 0.38 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 2kmg h ARG 125 CO 0.01 0.18 -0.61 0.78 2.80 0.00 0.00 179.97 183.13 2kmg h GLY 126 N 0.27 0.39 2.00 2.80 0.00 -1.30 -3.03 103.07 104.20 2kmg h GLY 126 Ca 0.64 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 2kmg h GLY 126 CO -0.29 0.43 -0.32 -2.75 0.00 0.00 0.00 176.54 173.61 2kmg h PHE 127 N 0.26 0.00 -0.10 5.60 3.57 -0.44 -2.69 116.94 123.13 2kmg h PHE 127 Ca -0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2kmg h PHE 127 Cb 1.13 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2kmg h PHE 127 CO 0.03 0.32 0.01 0.00 -2.23 0.00 0.00 178.31 176.44 2kmg h ALA 128 N 1.68 1.82 0.00 2.41 0.00 -1.29 -0.91 119.26 122.98 2kmg h ALA 128 Ca -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2kmg h ALA 128 Cb 0.74 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kmg h ALA 128 CO 0.04 0.14 -0.32 0.00 0.00 0.00 0.00 179.25 179.11 2kmg h ALA 129 N 1.87 0.88 0.00 0.00 0.00 -1.58 -3.02 119.26 117.41 2kmg h ALA 129 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2kmg h ALA 129 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kmg h ALA 129 CO 0.00 0.40 -0.06 0.41 0.00 0.00 0.00 179.25 180.00 2kmg n GLY 130 N 0.69 -1.69 3.78 0.00 0.00 -0.37 -4.74 105.19 102.85 2kmg n GLY 130 Ca 0.01 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2kmg n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kmg s HIS 131 N -3.11 2.79 -1.10 1.61 3.76 -1.06 -4.77 115.29 113.41 2kmg s HIS 131 Ca 0.10 1.55 0.13 0.00 -0.15 0.00 0.00 55.06 56.69 2kmg s HIS 131 Cb 0.12 -3.28 0.57 0.00 1.11 0.00 0.00 32.58 31.10 2kmg s HIS 131 CO 0.61 -1.41 1.39 -0.35 -0.85 0.00 0.00 174.74 174.12 2kmg n PRO 132 N -0.98 0.04 -0.18 8.40 -0.04 -1.26 -1.60 135.00 139.38 2kmg n PRO 132 Ca 0.10 0.26 0.09 0.00 -0.04 0.00 0.00 63.50 63.90 2kmg n PRO 132 Cb 0.50 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.45 1.44 -0.33 0.54 4.71 -1.26 -4.80 120.64 119.48 2kmg n GLU 133 Ca 0.04 -2.71 0.13 0.00 -0.01 0.00 0.00 57.16 54.61 2kmg n GLU 133 Cb 0.14 -1.54 0.27 0.00 -1.01 0.00 0.00 31.44 29.30 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 0.27 1.13 -0.54 0.62 0.00 -1.41 0.32 119.26 119.65 2kmg h ALA 134 Ca 0.00 0.32 0.11 0.00 0.00 0.00 0.00 54.91 55.34 2kmg h ALA 134 Cb 1.04 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 19.30 2kmg h ALA 134 CO 0.02 -0.55 0.01 0.00 0.00 0.00 0.00 179.25 178.74 2kmg h ALA 135 N 1.94 0.53 -0.31 0.00 0.00 -1.86 0.99 119.26 120.56 2kmg h ALA 135 Ca 0.57 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 55.50 2kmg h ALA 135 Cb 1.16 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2kmg h ALA 135 CO -0.88 -0.38 -0.39 0.00 0.00 0.00 0.00 179.25 177.60 2kmg h ALA 136 N 1.48 0.73 0.06 0.00 0.00 -0.79 -2.81 119.26 117.92 2kmg h ALA 136 Ca 0.28 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kmg h ALA 136 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kmg h ALA 136 CO -0.45 0.66 -0.03 0.82 0.00 0.00 0.00 179.25 180.26 2kmg h ILE 137 N 0.61 1.19 -0.39 0.00 2.04 -0.36 -1.26 117.51 119.35 2kmg h ILE 137 Ca 0.05 -0.88 -0.09 0.00 1.00 0.00 0.00 64.86 64.95 2kmg h ILE 137 Cb 0.93 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 2kmg h ILE 137 CO 0.09 0.22 -0.12 0.10 0.00 0.00 0.00 178.15 178.44 2kmg h TYR 138 N -0.47 0.75 -0.09 1.37 -0.00 -0.93 -2.36 116.97 115.24 2kmg h TYR 138 Ca -0.01 -0.13 -0.16 0.00 -0.00 0.00 0.00 58.73 58.43 2kmg h TYR 138 Cb 0.42 -0.19 -0.01 0.00 -0.00 0.00 0.00 36.73 36.94 2kmg h TYR 138 CO 0.06 0.77 -0.64 0.07 -0.00 0.00 0.00 178.16 178.42 2kmg h ARG 139 N 0.62 0.33 -0.31 0.10 0.11 -1.55 0.50 114.38 114.20 2kmg h ARG 139 Ca 0.11 -0.24 -0.04 0.00 0.10 0.00 0.00 59.98 59.90 2kmg h ARG 139 Cb 0.56 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.67 2kmg h ARG 139 CO 0.04 0.86 -0.00 0.00 0.10 0.00 0.00 179.97 180.96 2kmg h ALA 140 N 1.08 1.43 0.00 0.08 0.00 -0.86 -2.60 119.26 118.39 2kmg h ALA 140 Ca -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2kmg h ALA 140 Cb 1.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kmg h ALA 140 CO 0.10 0.40 -1.20 0.44 0.00 0.00 0.00 179.25 178.99 2kmg n ILE 141 N -4.30 0.68 1.85 0.00 -5.35 -0.92 -4.57 119.36 106.75 2kmg n ILE 141 Ca 0.01 -0.58 0.15 0.00 -0.27 0.00 0.00 62.75 62.06 2kmg n ILE 141 Cb 0.23 -0.38 0.88 0.00 -1.74 0.00 0.00 39.64 38.63 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12