#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmg n ASN 2 N 0.00 0.79 0.33 7.83 3.02 -1.26 -3.85 115.26 122.12 2kmg n ASN 2 Ca 0.00 -1.30 0.21 0.00 -0.03 0.00 0.00 54.58 53.46 2kmg n ASN 2 Cb 0.00 -0.01 1.12 0.00 -0.61 0.00 0.00 39.78 40.28 2kmg n ASN 2 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2kmg h THR 3 N 1.21 0.07 -3.24 3.41 1.35 -2.07 -3.39 112.91 110.24 2kmg h THR 3 Ca 0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 65.23 2kmg h THR 3 Cb 0.26 0.94 -0.16 0.00 -1.73 0.00 0.00 68.15 67.46 2kmg h THR 3 CO 0.00 0.00 -0.58 -1.83 -0.25 0.00 0.00 175.52 172.86 2kmg s GLU 4 N -4.20 3.72 0.00 4.72 -1.05 -1.25 -5.10 118.70 115.53 2kmg s GLU 4 Ca -0.05 -0.36 0.04 0.00 -0.15 0.00 0.00 54.97 54.45 2kmg s GLU 4 Cb 0.13 -3.09 -0.01 0.00 -0.44 0.00 0.00 34.13 30.71 2kmg s GLU 4 CO 0.41 0.39 -0.11 -1.21 0.95 0.00 0.00 175.26 175.68 2kmg s GLU 5 N 0.03 0.88 -0.11 -4.83 2.02 -1.26 -5.08 118.70 110.35 2kmg s GLU 5 Ca 0.05 -0.49 -0.01 0.00 0.02 0.00 0.00 54.97 54.54 2kmg s GLU 5 Cb -0.12 -0.85 -0.03 0.00 0.10 0.00 0.00 34.13 33.22 2kmg s GLU 5 CO 0.01 0.23 -0.05 1.14 0.02 0.00 0.00 175.26 176.61 2kmg s GLN 6 N -0.50 3.18 0.00 1.61 -2.07 -1.26 -4.99 119.66 115.63 2kmg s GLN 6 Ca 0.03 -0.52 0.17 0.00 -1.82 0.00 0.00 55.36 53.22 2kmg s GLN 6 Cb -0.05 -2.75 0.96 0.00 -1.09 0.00 0.00 33.01 30.08 2kmg s GLN 6 CO -0.00 0.48 1.47 -2.30 -1.32 0.00 0.00 175.29 173.62 2kmg n PRO 7 N 2.79 0.41 -4.75 9.60 -0.02 -1.26 -4.65 135.00 137.12 2kmg n PRO 7 Ca -0.18 0.06 -0.25 0.00 -2.02 0.00 0.00 63.50 61.11 2kmg n PRO 7 Cb 0.53 -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 -2.25 1.30 -0.00 -1.45 1.01 -1.26 -4.87 120.40 112.88 2kmg s VAL 8 Ca 0.22 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2kmg s VAL 8 Cb 0.12 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2kmg s VAL 8 CO 0.23 0.38 -0.00 0.42 0.00 0.00 0.00 175.10 176.12 2kmg s THR 9 N -0.01 0.01 0.67 3.92 -4.23 -1.26 -4.87 115.64 109.88 2kmg s THR 9 Ca -0.02 -0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.47 2kmg s THR 9 Cb -0.10 -0.02 0.09 0.00 1.34 0.00 0.00 72.50 73.81 2kmg s THR 9 CO 0.01 0.01 0.94 0.00 -0.54 0.00 0.00 174.62 175.04 2kmg s ALA 10 N 0.01 3.65 0.23 3.99 0.00 -1.26 -0.92 121.76 127.46 2kmg s ALA 10 Ca -0.00 -1.48 -0.19 0.00 0.00 0.00 0.00 51.96 50.29 2kmg s ALA 10 Cb -0.00 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 21.02 2kmg s ALA 10 CO -0.00 -1.24 0.59 0.45 0.00 0.00 0.00 175.76 175.56 2kmg s SER 11 N -4.61 -0.27 -0.30 0.00 0.15 -0.89 -4.90 113.70 102.87 2kmg s SER 11 Ca 0.63 -0.53 -0.13 0.00 0.70 0.00 0.00 55.95 56.63 2kmg s SER 11 Cb -0.08 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.83 2kmg s SER 11 CO 0.43 -1.15 0.25 -0.22 1.20 0.00 0.00 173.24 173.75 2kmg s LEU 12 N -2.89 4.23 0.38 3.45 2.96 -1.26 -0.19 118.68 125.36 2kmg s LEU 12 Ca 0.11 -0.12 -0.13 0.00 -0.22 0.00 0.00 54.13 53.76 2kmg s LEU 12 Cb -0.03 -2.20 -0.08 0.00 0.50 0.00 0.00 46.19 44.39 2kmg s LEU 12 CO 0.01 -0.16 0.78 0.54 -1.32 0.00 0.00 176.35 176.19 2kmg s VAL 13 N 1.83 4.71 0.95 1.68 0.11 -1.21 -4.95 120.40 123.52 2kmg s VAL 13 Ca 0.08 0.83 -0.14 0.00 -2.93 0.00 0.00 61.98 59.83 2kmg s VAL 13 Cb -0.16 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.01 2kmg s VAL 13 CO 0.11 -0.39 0.19 0.00 -3.33 0.00 0.00 175.10 171.69 2kmg n ALA 14 N -0.91 -3.09 0.16 1.54 0.00 -1.26 -4.67 120.51 112.28 2kmg n ALA 14 Ca 0.03 -0.61 0.04 0.00 0.00 0.00 0.00 53.44 52.90 2kmg n ALA 14 Cb 0.54 -1.68 0.16 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.43 0.00 -0.00 0.00 4.11 -1.99 -0.08 114.58 115.19 2kmg h GLU 15 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2kmg h GLU 15 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2kmg h GLU 15 CO 0.32 0.44 -0.55 0.00 0.07 0.00 0.00 179.01 179.29 2kmg n ALA 16 N -2.24 3.70 0.05 1.06 0.00 -1.26 -4.10 120.51 117.72 2kmg n ALA 16 Ca 0.01 -0.41 0.03 0.00 0.00 0.00 0.00 53.44 53.07 2kmg n ALA 16 Cb 0.64 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 2kmg n ALA 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kmg n GLN 17 N -1.32 1.05 0.29 0.00 1.13 -1.19 -4.53 117.38 112.82 2kmg n GLN 17 Ca 0.06 -0.05 0.17 0.00 -1.94 0.00 0.00 57.00 55.24 2kmg n GLN 17 Cb 0.34 -1.09 0.81 0.00 0.11 0.00 0.00 30.24 30.41 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 -1.15 -1.20 114.38 111.05 2kmg h ARG 18 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kmg h ARG 18 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 2kmg h ARG 18 CO 0.00 0.05 0.00 1.37 0.10 0.00 0.00 179.97 181.49 2kmg h LEU 19 N 0.00 0.00 0.00 0.08 8.10 -1.80 -3.22 115.31 118.48 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 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 2kmg h LEU 19 CO 0.01 0.00 -1.70 -0.67 -4.11 0.00 0.00 178.44 171.96 2kmg n ASP 20 N -3.02 1.13 -0.15 0.17 2.03 -0.76 -4.46 116.55 111.50 2kmg n ASP 20 Ca 0.03 -0.06 -0.10 0.00 0.52 0.00 0.00 54.79 55.19 2kmg n ASP 20 Cb 0.46 1.72 -0.01 0.00 -0.72 0.00 0.00 41.12 42.58 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 0.78 0.39 -0.67 3.04 -1.25 -0.38 116.94 118.85 2kmg h PHE 21 Ca 0.00 -0.12 -0.02 0.00 3.98 0.00 0.00 57.97 61.82 2kmg h PHE 21 Cb 0.74 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 2kmg h PHE 21 CO 0.00 0.76 -0.22 1.25 -2.02 0.00 0.00 178.31 178.08 2kmg h LEU 22 N 0.58 -0.54 -1.25 0.59 7.12 -1.78 -0.18 115.31 119.85 2kmg h LEU 22 Ca 0.13 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.17 2kmg h LEU 22 Cb 0.41 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 2kmg h LEU 22 CO 0.01 -0.36 0.00 1.55 -0.13 0.00 0.00 178.44 179.52 2kmg h PRO 23 N -0.57 0.00 0.08 5.25 0.13 -1.72 0.33 132.00 135.49 2kmg h PRO 23 Ca -0.05 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.82 2kmg h PRO 23 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 2kmg h PRO 23 CO 0.06 0.00 -1.26 1.15 -0.23 0.00 0.00 178.00 177.72 2kmg h THR 24 N 0.00 1.45 0.00 1.56 2.02 -0.67 -0.56 112.91 116.71 2kmg h THR 24 Ca 0.00 -3.10 0.00 0.00 0.77 0.00 0.00 66.41 64.08 2kmg h THR 24 Cb 0.50 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 2kmg h THR 24 CO 0.00 0.88 -1.68 -1.22 0.37 0.00 0.00 175.52 173.87 2kmg n TYR 25 N -3.42 0.00 -0.05 3.16 4.02 -0.11 -4.64 117.16 116.11 2kmg n TYR 25 Ca -0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.74 2kmg n TYR 25 Cb 1.00 -0.35 -0.04 0.00 -0.02 0.00 0.00 39.34 39.93 2kmg n TYR 25 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2kmg n PHE 26 N -2.02 0.00 0.00 -0.72 7.35 0.11 -5.05 117.46 117.13 2kmg n PHE 26 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 2kmg n PHE 26 Cb 0.44 -0.36 0.00 0.00 0.35 0.00 0.00 39.48 39.90 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 2.98 4.48 0.09 7.13 0.00 -0.28 -4.63 105.19 114.95 2kmg n GLY 27 Ca -0.17 -1.06 0.06 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.08 0.07 -0.11 1.61 -0.04 -0.83 -1.45 135.00 133.17 2kmg n PRO 28 Ca 0.00 0.55 -0.16 0.00 -0.04 0.00 0.00 63.50 63.86 2kmg n PRO 28 Cb 0.00 -1.78 -0.11 0.00 -0.04 0.00 0.00 33.50 31.57 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 -1.88 0.62 0.17 0.54 3.00 -1.26 -4.51 116.66 113.34 2kmg n ARG 29 Ca -0.01 0.12 0.02 0.00 -0.00 0.00 0.00 57.85 57.98 2kmg n ARG 29 Cb 0.06 -1.47 0.28 0.00 0.00 0.00 0.00 32.46 31.32 2kmg n ARG 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2kmg h LEU 30 N 0.00 0.00 -1.08 6.15 4.07 -1.62 -3.29 115.31 119.54 2kmg h LEU 30 Ca -0.52 0.00 0.36 0.00 0.08 0.00 0.00 57.88 57.80 2kmg h LEU 30 Cb 1.84 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.49 2kmg h LEU 30 CO -0.07 0.48 0.72 1.15 -1.08 0.00 0.00 178.44 179.63 2kmg n MET 31 N -3.78 -0.02 -0.11 1.13 0.00 -0.53 0.80 117.12 114.61 2kmg n MET 31 Ca -0.01 0.89 -0.16 0.00 0.00 0.00 0.00 57.70 58.41 2kmg n MET 31 Cb 0.53 -1.80 -0.13 0.00 0.00 0.00 0.00 33.22 31.82 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 -4.00 0.67 0.28 3.17 0.00 -1.24 -3.11 117.12 112.90 2kmg n MET 32 Ca 0.30 0.13 0.16 0.00 0.00 0.00 0.00 57.70 58.29 2kmg n MET 32 Cb 1.20 -1.55 0.82 0.00 0.00 0.00 0.00 33.22 33.69 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 0.01 0.00 0.01 3.17 3.08 0.27 -2.32 114.38 118.60 2kmg h ARG 33 Ca -0.55 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.10 2kmg h ARG 33 Cb 2.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.98 2kmg h ARG 33 CO -0.04 0.07 -2.46 0.41 -1.07 0.00 0.00 179.97 176.88 2kmg n GLY 34 N -0.63 -0.38 0.33 0.04 0.00 0.21 -3.80 105.19 100.96 2kmg n GLY 34 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.13 1.05 0.00 1.61 4.81 -1.51 -1.20 114.58 119.22 2kmg h GLU 35 Ca -0.59 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 58.47 2kmg h GLU 35 Cb 1.87 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.99 2kmg h GLU 35 CO -0.13 0.70 -0.53 0.00 -0.73 0.00 0.00 179.01 178.32 2kmg h ALA 36 N 1.36 0.96 -0.15 2.92 0.00 -1.63 -3.11 119.26 119.61 2kmg h ALA 36 Ca 0.35 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 2kmg h ALA 36 Cb 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kmg h ALA 36 CO -0.12 0.66 -0.52 -0.07 0.00 0.00 0.00 179.25 179.19 2kmg h LEU 37 N 0.00 0.73 -0.62 0.00 4.07 -1.40 -0.93 115.31 117.15 2kmg h LEU 37 Ca -0.01 -0.60 -0.06 0.00 0.08 0.00 0.00 57.88 57.29 2kmg h LEU 37 Cb 1.04 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.54 2kmg h LEU 37 CO 0.07 1.21 0.14 1.62 -1.08 0.00 0.00 178.44 180.39 2kmg h VAL 38 N 0.29 1.26 0.00 1.22 3.04 -1.29 -2.34 116.25 118.42 2kmg h VAL 38 Ca -0.02 -0.95 -0.11 0.00 -1.01 0.00 0.00 66.70 64.61 2kmg h VAL 38 Cb 1.15 0.67 -0.02 0.00 -2.01 0.00 0.00 31.29 31.08 2kmg h VAL 38 CO 0.11 0.35 -0.52 0.10 -1.01 0.00 0.00 177.57 176.61 2kmg h TYR 39 N 0.92 0.00 -0.41 3.17 -0.00 -1.59 -2.91 116.97 116.15 2kmg h TYR 39 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.90 2kmg h TYR 39 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.09 2kmg h TYR 39 CO 0.03 0.52 0.14 0.00 -0.00 0.00 0.00 178.16 178.85 2kmg h ALA 40 N 1.48 0.54 -0.07 0.10 0.00 -0.68 -1.54 119.26 119.09 2kmg h ALA 40 Ca -0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2kmg h ALA 40 Cb 1.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2kmg h ALA 40 CO 0.07 0.17 -0.47 -1.49 0.00 0.00 0.00 179.25 177.53 2kmg h TRP 41 N 0.52 0.19 0.11 0.00 4.06 -1.44 -3.19 115.95 116.19 2kmg h TRP 41 Ca 0.13 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 61.02 2kmg h TRP 41 Cb 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 2kmg h TRP 41 CO 0.01 0.60 -0.05 1.98 -3.56 0.00 0.00 178.44 177.42 2kmg h MET 42 N 0.13 -0.14 0.00 0.49 4.05 -1.26 -2.56 114.93 115.64 2kmg h MET 42 Ca 0.01 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2kmg h MET 42 Cb 0.88 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.71 2kmg h MET 42 CO 0.07 0.12 0.00 2.89 0.23 0.00 0.00 176.91 180.22 2kmg n ARG 43 N -5.04 0.10 0.01 0.39 1.85 -0.61 -0.83 116.66 112.52 2kmg n ARG 43 Ca -0.08 0.57 -0.05 0.00 -1.00 0.00 0.00 57.85 57.28 2kmg n ARG 43 Cb 0.18 -1.81 -0.11 0.00 -1.05 0.00 0.00 32.46 29.67 2kmg n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kmg h ARG 44 N 0.00 0.00 0.00 2.89 3.08 -1.46 -3.35 114.38 115.55 2kmg h ARG 44 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2kmg h ARG 44 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2kmg h ARG 44 CO 0.00 0.47 -0.69 -0.07 -1.07 0.00 0.00 179.97 178.61 2kmg h LEU 45 N 0.00 0.00 -8.09 3.04 3.38 -0.66 -3.44 115.31 109.55 2kmg h LEU 45 Ca -0.21 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.21 2kmg h LEU 45 Cb 1.83 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 42.25 2kmg h LEU 45 CO 0.07 0.69 -0.83 0.00 0.09 0.00 0.00 178.44 178.46 2kmg h GLU 47 N 6.83 0.00 -1.65 0.00 4.11 -1.85 -3.21 114.58 118.80 2kmg h GLU 47 Ca -0.28 0.00 -0.70 0.00 0.07 0.00 0.00 59.36 58.44 2kmg h GLU 47 Cb 1.20 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.13 2kmg h GLU 47 CO 0.47 0.28 0.53 0.54 0.07 0.00 0.00 179.01 180.90 2kmg n ARG 48 N -3.25 2.94 -3.94 1.06 5.12 -1.26 -4.90 116.66 112.44 2kmg n ARG 48 Ca 0.02 -3.74 -0.32 0.00 -1.93 0.00 0.00 57.85 51.88 2kmg n ARG 48 Cb 0.56 -2.27 -0.14 0.00 -1.16 0.00 0.00 32.46 29.46 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 -3.89 3.60 0.00 -1.55 6.14 -1.21 -4.98 117.35 115.45 2kmg s TYR 49 Ca 0.53 -2.90 0.00 0.00 0.64 0.00 0.00 57.07 55.34 2kmg s TYR 49 Cb 0.44 -2.99 0.00 0.00 0.42 0.00 0.00 41.96 39.83 2kmg s TYR 49 CO -0.27 -0.91 0.00 0.09 0.64 0.00 0.00 175.55 175.10 2kmg n ASN 50 N 4.07 0.00 -3.83 4.32 5.03 -1.26 -4.79 115.26 118.80 2kmg n ASN 50 Ca 0.03 0.34 -0.09 0.00 0.87 0.00 0.00 54.58 55.73 2kmg n ASN 50 Cb 0.40 -0.41 -0.05 0.00 -1.02 0.00 0.00 39.78 38.70 2kmg n ASN 50 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2kmg s GLY 51 N -1.95 0.13 0.16 7.41 0.00 -1.26 -5.04 107.32 106.77 2kmg s GLY 51 Ca 0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 44.72 44.01 2kmg s GLY 51 CO 0.00 -0.46 0.59 0.00 0.00 0.00 0.00 173.10 173.23 2kmg s ALA 52 N -3.92 -1.57 -0.78 3.20 0.00 -1.26 -5.03 121.76 112.40 2kmg s ALA 52 Ca 0.13 0.47 -0.20 0.00 0.00 0.00 0.00 51.96 52.37 2kmg s ALA 52 Cb 0.00 0.87 0.11 0.00 0.00 0.00 0.00 23.12 24.10 2kmg s ALA 52 CO -0.01 -0.76 0.98 0.71 0.00 0.00 0.00 175.76 176.69 2kmg s TYR 53 N -3.72 3.01 -1.24 0.00 2.02 -1.26 -4.81 117.35 111.35 2kmg s TYR 53 Ca 0.01 -1.11 -0.20 0.00 -0.37 0.00 0.00 57.07 55.40 2kmg s TYR 53 Cb -0.01 -4.21 0.01 0.00 -0.40 0.00 0.00 41.96 37.35 2kmg s TYR 53 CO -0.13 -1.47 1.81 -1.58 -1.57 0.00 0.00 175.55 172.61 2kmg s TRP 54 N 2.93 2.44 0.50 2.71 0.52 -1.25 -1.48 118.94 125.30 2kmg s TRP 54 Ca 0.25 -0.77 -0.22 0.00 0.02 0.00 0.00 56.10 55.38 2kmg s TRP 54 Cb -0.12 -4.46 -0.08 0.00 -1.15 0.00 0.00 33.47 27.66 2kmg s TRP 54 CO -0.01 -1.58 0.95 0.72 0.02 0.00 0.00 176.95 177.05 2kmg n HIS 55 N 10.78 0.88 -3.33 -1.98 8.25 0.01 -4.55 115.22 125.27 2kmg n HIS 55 Ca 0.47 0.50 -0.38 0.00 -0.26 0.00 0.00 57.72 58.05 2kmg n HIS 55 Cb 0.46 -2.17 -0.06 0.00 1.12 0.00 0.00 29.99 29.34 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 -1.40 3.49 -0.04 4.41 2.02 -1.26 -2.43 117.35 122.13 2kmg s TYR 56 Ca 0.68 0.84 0.04 0.00 -0.37 0.00 0.00 57.07 58.26 2kmg s TYR 56 Cb -0.50 -2.54 -0.03 0.00 -0.40 0.00 0.00 41.96 38.50 2kmg s TYR 56 CO 0.53 0.14 -0.16 0.71 -1.57 0.00 0.00 175.55 175.21 2kmg s TYR 57 N 0.73 2.66 -0.48 2.71 1.51 -0.74 -3.29 117.35 120.46 2kmg s TYR 57 Ca 0.25 -0.19 -0.12 0.00 -1.01 0.00 0.00 57.07 56.00 2kmg s TYR 57 Cb -0.15 -1.61 0.11 0.00 -0.11 0.00 0.00 41.96 40.20 2kmg s TYR 57 CO 0.09 0.17 0.37 0.00 -1.11 0.00 0.00 175.55 175.08 2kmg s ALA 58 N -0.72 3.46 0.39 3.71 0.00 0.74 -2.67 121.76 126.66 2kmg s ALA 58 Ca 0.11 -2.42 -0.25 0.00 0.00 0.00 0.00 51.96 49.41 2kmg s ALA 58 Cb -0.11 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 2kmg s ALA 58 CO 0.00 -1.87 1.07 -0.51 0.00 0.00 0.00 175.76 174.45 2kmg s LEU 59 N 1.46 4.19 0.41 0.00 1.43 -1.16 -2.11 118.68 122.91 2kmg s LEU 59 Ca 0.04 2.09 0.21 0.00 -1.03 0.00 0.00 54.13 55.45 2kmg s LEU 59 Cb -0.26 -4.11 0.85 0.00 0.03 0.00 0.00 46.19 42.70 2kmg s LEU 59 CO 0.02 -0.47 1.81 0.28 0.23 0.00 0.00 176.35 178.21 2kmg h SER 60 N 2.65 0.00 0.00 2.29 0.02 -1.36 -3.36 113.55 113.79 2kmg h SER 60 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2kmg h SER 60 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2kmg h SER 60 CO 0.63 0.30 -0.08 0.47 -1.14 0.00 0.00 176.83 177.01 2kmg n ASP 61 N -3.53 0.00 -0.24 3.07 9.92 -1.26 -4.89 116.55 119.62 2kmg n ASP 61 Ca -0.00 -1.15 0.03 0.00 -0.53 0.00 0.00 54.79 53.14 2kmg n ASP 61 Cb 0.45 -0.03 0.07 0.00 -0.64 0.00 0.00 41.12 40.97 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 0.00 3.20 5.90 0.44 0.00 -1.26 -4.75 105.19 108.72 2kmg n GLY 62 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2kmg n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kmg n GLY 63 N -0.31 2.19 0.00 -0.02 0.00 -1.26 -4.11 105.19 101.67 2kmg n GLY 63 Ca 0.06 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.00 -4.16 1.61 -1.74 -1.26 -2.98 117.46 108.93 2kmg n PHE 64 Ca 0.00 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.72 2kmg n PHE 64 Cb 0.00 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 40.88 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 -1.23 1.03 -0.15 2.97 1.13 -1.09 -4.94 117.35 115.07 2kmg s TYR 65 Ca 0.00 -0.44 -0.05 0.00 -1.41 0.00 0.00 57.07 55.16 2kmg s TYR 65 Cb 0.00 -0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 40.23 2kmg s TYR 65 CO 0.00 0.01 0.04 -1.64 -2.51 0.00 0.00 175.55 171.45 2kmg s MET 66 N -1.55 3.62 -0.06 -3.49 -1.94 -1.26 -1.79 119.30 112.83 2kmg s MET 66 Ca -0.04 -0.35 0.02 0.00 -1.71 0.00 0.00 55.69 53.61 2kmg s MET 66 Cb -0.09 -3.07 0.01 0.00 2.01 0.00 0.00 34.83 33.69 2kmg s MET 66 CO 0.01 0.45 -0.11 0.00 -0.01 0.00 0.00 175.02 175.36 2kmg s ALA 67 N -0.14 1.14 0.80 3.03 0.00 -1.02 -4.37 121.76 121.21 2kmg s ALA 67 Ca 0.06 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 2kmg s ALA 67 Cb -0.12 -0.52 0.08 0.00 0.00 0.00 0.00 23.12 22.55 2kmg s ALA 67 CO 0.01 0.10 1.11 -1.25 0.00 0.00 0.00 175.76 175.73 2kmg s PRO 68 N 0.64 1.99 -0.98 0.00 0.04 -1.23 -0.81 135.00 134.64 2kmg s PRO 68 Ca -0.13 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.07 2kmg s PRO 68 Cb -0.15 -1.86 0.25 0.00 0.04 0.00 0.00 34.50 32.78 2kmg s PRO 68 CO 0.03 -1.86 0.95 0.34 0.04 0.00 0.00 177.00 176.50 2kmg s ASP 69 N -3.20 7.01 -0.17 6.66 2.15 -0.55 -4.48 116.67 124.10 2kmg s ASP 69 Ca 0.63 -3.24 -0.04 0.00 0.43 0.00 0.00 52.55 50.32 2kmg s ASP 69 Cb -0.19 -2.19 0.06 0.00 -0.30 0.00 0.00 42.92 40.30 2kmg s ASP 69 CO 0.56 -0.39 0.07 -0.76 -0.17 0.00 0.00 175.17 174.48 2kmg s LEU 70 N -0.70 0.59 -0.39 -1.34 2.01 -1.26 -4.61 118.68 112.99 2kmg s LEU 70 Ca 0.25 -0.63 -0.22 0.00 0.01 0.00 0.00 54.13 53.55 2kmg s LEU 70 Cb -0.10 -0.35 0.01 0.00 0.01 0.00 0.00 46.19 45.76 2kmg s LEU 70 CO -0.08 -0.33 0.71 0.00 1.01 0.00 0.00 176.35 177.65 2kmg s ALA 71 N 2.05 3.40 0.00 4.21 0.00 -1.26 -3.52 121.76 126.64 2kmg s ALA 71 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2kmg s ALA 71 Cb -0.16 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2kmg s ALA 71 CO -0.08 -1.57 0.00 0.41 0.00 0.00 0.00 175.76 174.52 2kmg n GLY 72 N 4.76 0.82 3.35 0.00 0.00 -1.26 -5.05 105.19 107.81 2kmg n GLY 72 Ca 0.01 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 2kmg n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kmg s ARG 73 N -2.00 2.90 -0.17 1.61 0.52 -1.26 -4.50 118.95 116.05 2kmg s ARG 73 Ca 0.00 -1.01 -0.10 0.00 -0.52 0.00 0.00 55.73 54.10 2kmg s ARG 73 Cb 0.00 -3.56 -0.05 0.00 0.52 0.00 0.00 34.95 31.86 2kmg s ARG 73 CO 0.00 -0.60 0.17 -0.51 0.02 0.00 0.00 175.30 174.38 2kmg s LEU 74 N 1.51 4.26 -0.88 2.53 1.43 -0.59 -4.92 118.68 122.03 2kmg s LEU 74 Ca 0.01 0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 53.26 2kmg s LEU 74 Cb -0.19 -2.16 0.08 0.00 0.03 0.00 0.00 46.19 43.96 2kmg s LEU 74 CO 0.05 0.22 1.20 -1.83 0.23 0.00 0.00 176.35 176.21 2kmg s GLU 75 N 0.04 3.45 -0.39 1.70 -1.05 -1.26 -0.39 118.70 120.79 2kmg s GLU 75 Ca 0.12 -1.22 -0.07 0.00 -0.15 0.00 0.00 54.97 53.65 2kmg s GLU 75 Cb -0.12 -4.82 0.08 0.00 -0.44 0.00 0.00 34.13 28.83 2kmg s GLU 75 CO 0.01 -1.95 0.20 0.42 0.95 0.00 0.00 175.26 174.89 2kmg s ILE 76 N 3.95 3.83 -0.49 1.83 -1.09 -1.23 -4.59 121.20 123.42 2kmg s ILE 76 Ca 0.34 -1.50 -0.16 0.00 -2.23 0.00 0.00 60.65 57.10 2kmg s ILE 76 Cb -0.06 -3.36 0.08 0.00 -1.58 0.00 0.00 42.46 37.53 2kmg s ILE 76 CO -0.03 -0.46 0.43 -1.83 -1.23 0.00 0.00 174.94 171.83 2kmg s GLU 77 N 1.34 2.99 -0.39 2.79 -1.05 0.92 -3.34 118.70 121.96 2kmg s GLU 77 Ca 0.03 -1.38 -0.29 0.00 -0.15 0.00 0.00 54.97 53.18 2kmg s GLU 77 Cb -0.22 -4.16 0.00 0.00 -0.44 0.00 0.00 34.13 29.31 2kmg s GLU 77 CO 0.00 -1.10 1.51 0.14 0.95 0.00 0.00 175.26 176.77 2kmg s VAL 78 N 1.72 3.79 0.27 1.83 -7.23 -0.56 -4.43 120.40 115.79 2kmg s VAL 78 Ca 0.05 0.80 0.03 0.00 -1.81 0.00 0.00 61.98 61.05 2kmg s VAL 78 Cb -0.25 -4.06 0.03 0.00 0.56 0.00 0.00 36.38 32.66 2kmg s VAL 78 CO 0.06 -0.67 1.66 0.78 -0.31 0.00 0.00 175.10 176.63 2kmg h ASN 79 N 11.27 0.40 -1.17 4.85 2.35 -1.87 0.85 115.58 132.27 2kmg h ASN 79 Ca -0.29 -0.17 0.33 0.00 -0.55 0.00 0.00 56.30 55.62 2kmg h ASN 79 Cb 1.12 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 39.31 2kmg h ASN 79 CO 1.07 0.76 0.80 1.23 -1.65 0.00 0.00 177.43 179.63 2kmg h GLY 80 N 1.14 0.60 0.00 2.83 0.00 -1.91 -2.04 103.07 103.69 2kmg h GLY 80 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2kmg h GLY 80 CO 0.07 -0.09 0.00 1.16 0.00 0.00 0.00 176.54 177.67 2kmg n ASN 81 N -4.40 0.61 -2.02 0.19 6.94 -1.14 -5.00 115.26 110.44 2kmg n ASN 81 Ca 0.27 -1.28 -0.18 0.00 -0.02 0.00 0.00 54.58 53.37 2kmg n ASN 81 Cb 1.14 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 38.53 2kmg n ASN 81 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kmg n GLY 82 N -0.14 0.45 3.56 4.83 0.00 0.29 -4.93 105.19 109.25 2kmg n GLY 82 Ca 0.00 0.00 -0.42 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 -2.71 3.07 -0.38 1.61 5.36 -0.50 -4.89 117.98 119.54 2kmg s PHE 83 Ca 0.00 0.30 -0.17 0.00 -0.96 0.00 0.00 56.93 56.10 2kmg s PHE 83 Cb 0.00 -3.42 0.00 0.00 -0.34 0.00 0.00 43.02 39.26 2kmg s PHE 83 CO 0.00 -0.81 0.42 0.50 -1.46 0.00 0.00 175.22 173.87 2kmg s ARG 84 N 3.04 3.35 -0.28 10.12 3.52 -1.26 -1.50 118.95 135.94 2kmg s ARG 84 Ca 0.28 -0.54 -0.16 0.00 -0.13 0.00 0.00 55.73 55.18 2kmg s ARG 84 Cb -0.13 -3.88 0.08 0.00 -1.56 0.00 0.00 34.95 29.46 2kmg s ARG 84 CO 0.19 -0.69 0.69 0.20 -0.81 0.00 0.00 175.30 174.87 2kmg s GLY 85 N 1.78 -0.63 -0.02 8.12 0.00 -1.21 -5.02 107.32 110.34 2kmg s GLY 85 Ca 0.13 2.40 -0.30 0.00 0.00 0.00 0.00 44.72 46.95 2kmg s GLY 85 CO 0.13 2.38 1.39 -0.54 0.00 0.00 0.00 173.10 176.46 2kmg s GLU 86 N 1.60 4.28 0.25 2.90 2.02 -1.26 -3.51 118.70 124.99 2kmg s GLU 86 Ca -0.10 1.94 0.06 0.00 0.02 0.00 0.00 54.97 56.89 2kmg s GLU 86 Cb -0.05 -3.61 -0.05 0.00 0.10 0.00 0.00 34.13 30.52 2kmg s GLU 86 CO -0.19 -0.59 -0.05 -0.51 0.02 0.00 0.00 175.26 173.94 2kmg s LEU 87 N 2.54 2.39 0.47 1.80 2.01 0.47 -4.84 118.68 123.53 2kmg s LEU 87 Ca 0.63 -1.18 -0.11 0.00 0.01 0.00 0.00 54.13 53.49 2kmg s LEU 87 Cb -0.30 -0.50 -0.06 0.00 0.01 0.00 0.00 46.19 45.34 2kmg s LEU 87 CO 0.26 -0.39 0.84 -0.94 1.01 0.00 0.00 176.35 177.13 2kmg s SER 88 N -3.37 6.45 0.56 2.29 1.04 -1.26 -1.54 113.70 117.86 2kmg s SER 88 Ca 0.28 1.21 0.29 0.00 0.48 0.00 0.00 55.95 58.21 2kmg s SER 88 Cb 0.04 -2.36 1.46 0.00 0.10 0.00 0.00 66.02 65.26 2kmg s SER 88 CO 0.10 -0.52 1.92 0.00 0.98 0.00 0.00 173.24 175.71 2kmg h ALA 89 N 0.81 2.50 0.12 5.32 0.00 -1.81 0.19 119.26 126.39 2kmg h ALA 89 Ca -0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2kmg h ALA 89 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kmg h ALA 89 CO 0.63 -0.85 -0.06 0.22 0.00 0.00 0.00 179.25 179.19 2kmg h ASP 90 N 0.00 -0.13 0.57 0.00 3.58 -1.86 -1.70 116.42 116.89 2kmg h ASP 90 Ca 0.30 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kmg h ASP 90 Cb 1.34 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.43 2kmg h ASP 90 CO -0.00 0.46 0.00 0.00 -2.88 0.00 0.00 179.24 176.81 2kmg h ALA 91 N -0.65 1.00 0.07 -0.78 0.00 -1.77 -2.71 119.26 114.42 2kmg h ALA 91 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 2kmg h ALA 91 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2kmg h ALA 91 CO 0.03 0.00 -1.99 0.00 0.00 0.00 0.00 179.25 177.28 2kmg n ALA 92 N -1.83 1.15 0.18 0.00 0.00 0.60 -3.91 120.51 116.70 2kmg n ALA 92 Ca 0.01 -0.74 0.11 0.00 0.00 0.00 0.00 53.44 52.82 2kmg n ALA 92 Cb 0.19 -0.64 0.57 0.00 0.00 0.00 0.00 19.45 19.57 2kmg n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kmg n GLY 93 N 1.89 -0.90 0.20 0.00 0.00 -0.64 -1.45 105.19 104.30 2kmg n GLY 93 Ca -0.29 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 2kmg n GLY 93 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kmg h ILE 94 N 0.00 1.30 0.00 -0.61 1.08 -1.67 -2.93 117.51 114.68 2kmg h ILE 94 Ca 0.00 -2.02 -0.13 0.00 -0.39 0.00 0.00 64.86 62.33 2kmg h ILE 94 Cb 0.03 2.14 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 2kmg h ILE 94 CO 0.00 0.63 -0.60 0.58 -0.69 0.00 0.00 178.15 178.06 2kmg h VAL 95 N 0.40 1.16 0.02 1.67 2.07 -1.44 -2.59 116.25 117.55 2kmg h VAL 95 Ca -0.07 -2.30 -0.00 0.00 0.82 0.00 0.00 66.70 65.15 2kmg h VAL 95 Cb 1.43 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 2kmg h VAL 95 CO 0.16 0.59 -0.01 0.00 0.02 0.00 0.00 177.57 178.33 2kmg h ALA 96 N 1.40 -0.02 -0.34 1.67 0.00 -1.51 -2.72 119.26 117.74 2kmg h ALA 96 Ca -0.01 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 2kmg h ALA 96 Cb 1.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2kmg h ALA 96 CO 0.08 -0.19 -0.35 0.00 0.00 0.00 0.00 179.25 178.79 2kmg h THR 97 N -0.67 1.29 -0.11 0.00 1.03 -1.62 -3.05 112.91 109.77 2kmg h THR 97 Ca -0.00 -1.52 0.03 0.00 -0.01 0.00 0.00 66.41 64.91 2kmg h THR 97 Cb 0.63 1.49 -0.03 0.00 -1.07 0.00 0.00 68.15 69.16 2kmg h THR 97 CO 0.00 0.50 -0.08 -0.07 -0.01 0.00 0.00 175.52 175.86 2kmg h LEU 98 N 0.61 -0.26 -1.86 0.00 3.38 -1.56 -1.80 115.31 113.82 2kmg h LEU 98 Ca 0.05 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2kmg h LEU 98 Cb 0.93 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2kmg h LEU 98 CO 0.09 -0.11 0.23 -0.26 0.09 0.00 0.00 178.44 178.47 2kmg h PHE 99 N -0.09 0.17 -0.55 1.13 -1.00 -1.50 -1.59 116.94 113.52 2kmg h PHE 99 Ca 0.07 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.77 2kmg h PHE 99 Cb 0.19 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 2kmg h PHE 99 CO -0.20 0.09 0.02 0.00 -1.61 0.00 0.00 178.31 176.61 2kmg h ALA 100 N 1.83 0.74 -0.91 2.45 0.00 -1.23 -2.98 119.26 119.16 2kmg h ALA 100 Ca 0.15 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.84 2kmg h ALA 100 Cb 0.38 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2kmg h ALA 100 CO -0.02 0.54 0.57 -0.07 0.00 0.00 0.00 179.25 180.27 2kmg h LEU 101 N 0.84 0.90 -1.42 0.00 3.38 -0.90 -1.90 115.31 116.21 2kmg h LEU 101 Ca 0.16 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2kmg h LEU 101 Cb 0.51 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2kmg h LEU 101 CO 0.02 0.57 -0.27 1.23 0.09 0.00 0.00 178.44 180.09 2kmg h GLY 102 N 1.03 0.03 0.25 0.83 0.00 -1.44 -2.34 103.07 101.44 2kmg h GLY 102 Ca 0.40 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 2kmg h GLY 102 CO -0.18 0.02 -0.17 -1.61 0.00 0.00 0.00 176.54 174.60 2kmg h GLN 103 N 0.03 0.08 -0.98 4.80 4.15 -1.30 -3.18 115.11 118.72 2kmg h GLN 103 Ca 0.00 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.32 2kmg h GLN 103 Cb 0.49 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.17 2kmg h GLN 103 CO 0.04 0.96 0.65 -0.07 -1.93 0.00 0.00 178.83 178.48 2kmg h LEU 104 N -0.74 1.12 -1.36 -2.39 3.38 -1.39 0.13 115.31 114.06 2kmg h LEU 104 Ca -0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2kmg h LEU 104 Cb 1.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2kmg h LEU 104 CO 0.03 0.81 0.16 0.00 0.09 0.00 0.00 178.44 179.54 2kmg h ALA 105 N 1.36 1.50 -0.00 1.53 0.00 -1.53 -1.26 119.26 120.85 2kmg h ALA 105 Ca 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2kmg h ALA 105 Cb -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2kmg h ALA 105 CO -0.08 0.39 -0.55 0.00 0.00 0.00 0.00 179.25 179.01 2kmg n ALA 106 N -2.47 3.70 -0.01 0.00 0.00 -0.81 -4.17 120.51 116.75 2kmg n ALA 106 Ca 0.03 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.85 2kmg n ALA 106 Cb 0.15 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.41 2kmg n ALA 106 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kmg h GLU 107 N 0.22 0.22 0.00 0.00 4.39 -0.07 -3.34 114.58 116.00 2kmg h GLU 107 Ca 0.00 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2kmg h GLU 107 Cb 0.51 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2kmg h GLU 107 CO 0.00 1.18 0.00 0.44 -1.16 0.00 0.00 179.01 179.47 2kmg n ILE 108 N -3.71 0.78 -4.52 3.13 -5.35 -0.54 -4.96 119.36 104.18 2kmg n ILE 108 Ca -0.31 0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 2kmg n ILE 108 Cb 0.97 -1.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 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 -1.32 0.00 -1.23 -1.28 0.00 -1.25 -4.94 120.51 110.49 2kmg n ALA 109 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.61 2kmg n ALA 109 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 2kmg n ALA 109 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kmg n ASP 110 N -3.10 -7.33 0.00 0.00 8.00 -1.26 -4.18 116.55 108.68 2kmg n ASP 110 Ca 0.00 0.98 0.00 0.00 0.71 0.00 0.00 54.79 56.48 2kmg n ASP 110 Cb 0.00 -2.74 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 2kmg n ASP 110 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2kmg n THR 111 N -3.34 0.00 -0.02 -3.53 -2.24 -1.26 -4.47 114.28 99.42 2kmg n THR 111 Ca 0.01 -0.31 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2kmg n THR 111 Cb 0.41 1.15 -0.00 0.00 -2.10 0.00 0.00 70.33 69.79 2kmg n THR 111 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2kmg h ASP 112 N 0.00 -0.01 1.53 3.42 2.03 -1.99 -3.30 116.42 118.09 2kmg h ASP 112 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kmg h ASP 112 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2kmg h ASP 112 CO 0.00 0.23 0.00 0.00 -1.03 0.00 0.00 179.24 178.44 2kmg h ALA 113 N -1.50 1.00 0.00 4.15 0.00 -1.89 -3.06 119.26 117.96 2kmg h ALA 113 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kmg h ALA 113 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kmg h ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2kmg n ALA 114 N -1.82 2.38 0.02 0.00 0.00 -1.26 -3.07 120.51 116.76 2kmg n ALA 114 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kmg n ALA 114 Cb 0.44 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.43 2kmg n ALA 114 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kmg n ASP 115 N -1.28 1.02 -0.06 0.00 2.03 -1.17 -4.52 116.55 112.57 2kmg n ASP 115 Ca 0.13 -0.41 -0.13 0.00 0.52 0.00 0.00 54.79 54.91 2kmg n ASP 115 Cb 0.22 1.01 -0.11 0.00 -0.72 0.00 0.00 41.12 41.51 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 0.08 -0.01 0.00 -1.67 0.00 -1.46 -3.27 119.26 112.93 2kmg h ALA 116 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kmg h ALA 116 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kmg h ALA 116 CO 0.00 -0.03 0.00 1.37 0.00 0.00 0.00 179.25 180.59 2kmg h LEU 117 N -0.95 0.00 -1.48 0.00 -0.00 -1.84 -2.40 115.31 108.64 2kmg h LEU 117 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2kmg h LEU 117 Cb 0.85 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.50 2kmg h LEU 117 CO 0.00 0.00 -0.08 0.40 -0.00 0.00 0.00 178.44 178.76 2kmg h ILE 118 N 0.00 1.15 -0.77 0.15 1.08 -1.79 -2.55 117.51 114.78 2kmg h ILE 118 Ca 0.00 -0.64 0.13 0.00 -0.39 0.00 0.00 64.86 63.95 2kmg h ILE 118 Cb 0.35 1.13 -0.09 0.00 -3.07 0.00 0.00 36.82 35.14 2kmg h ILE 118 CO 0.00 0.20 0.36 0.44 -0.69 0.00 0.00 178.15 178.46 2kmg h ASP 119 N 0.23 0.41 -0.84 1.72 5.19 -1.54 0.17 116.42 121.76 2kmg h ASP 119 Ca 0.05 0.09 0.08 0.00 -0.62 0.00 0.00 57.03 56.63 2kmg h ASP 119 Cb 0.29 0.03 -0.06 0.00 0.18 0.00 0.00 39.33 39.78 2kmg h ASP 119 CO 0.01 0.19 0.55 0.03 -3.12 0.00 0.00 179.24 176.90 2kmg h ARG 120 N 0.55 0.85 0.08 3.56 -0.00 -1.64 -2.04 114.38 115.73 2kmg h ARG 120 Ca 0.41 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.98 59.83 2kmg h ARG 120 Cb 0.55 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.33 2kmg h ARG 120 CO -0.35 0.56 -0.04 -0.92 0.00 0.00 0.00 179.97 179.22 2kmg h TYR 121 N 0.87 -0.10 -0.80 3.04 5.03 -1.09 -0.19 116.97 123.73 2kmg h TYR 121 Ca 0.38 -0.00 0.23 0.00 2.58 0.00 0.00 58.73 61.91 2kmg h TYR 121 Cb 0.32 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.60 2kmg h TYR 121 CO -0.00 0.37 0.57 0.45 -1.32 0.00 0.00 178.16 178.23 2kmg h HIS 122 N -0.62 0.05 0.00 -3.82 3.86 -0.90 -0.42 115.15 113.29 2kmg h HIS 122 Ca -0.01 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.02 2kmg h HIS 122 Cb 0.51 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 2kmg h HIS 122 CO 0.09 0.01 -1.02 0.74 0.86 0.00 0.00 177.93 178.61 2kmg h PHE 123 N 0.03 0.00 -0.20 2.45 0.04 -1.35 -3.32 116.94 114.60 2kmg h PHE 123 Ca 0.39 0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.21 2kmg h PHE 123 Cb 1.49 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.57 2kmg h PHE 123 CO -0.00 1.31 -0.38 1.25 -0.60 0.00 0.00 178.31 179.89 2kmg h LEU 124 N -1.00 -1.21 -0.98 1.54 6.46 -0.55 0.84 115.31 120.41 2kmg h LEU 124 Ca -0.27 0.17 0.27 0.00 -0.12 0.00 0.00 57.88 57.93 2kmg h LEU 124 Cb 1.20 0.51 -0.14 0.00 -0.73 0.00 0.00 40.66 41.50 2kmg h LEU 124 CO -0.17 -0.39 0.54 -0.09 -0.62 0.00 0.00 178.44 177.72 2kmg h ARG 125 N -0.41 0.42 -0.36 1.25 2.43 -1.29 0.54 114.38 116.96 2kmg h ARG 125 Ca 0.10 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2kmg h ARG 125 Cb 0.59 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2kmg h ARG 125 CO -0.43 0.28 0.12 0.78 -1.51 0.00 0.00 179.97 179.21 2kmg h GLY 126 N 0.44 0.56 1.56 2.80 0.00 -0.95 -2.39 103.07 105.09 2kmg h GLY 126 Ca 0.66 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 47.59 2kmg h GLY 126 CO -0.54 0.26 -0.45 -2.75 0.00 0.00 0.00 176.54 173.05 2kmg h PHE 127 N 0.52 0.57 0.00 5.60 3.57 0.70 -2.74 116.94 125.16 2kmg h PHE 127 Ca 0.13 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2kmg h PHE 127 Cb 0.15 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2kmg h PHE 127 CO 0.01 0.84 0.00 0.00 -2.23 0.00 0.00 178.31 176.93 2kmg h ALA 128 N 1.13 1.00 0.00 2.41 0.00 -0.87 -1.31 119.26 121.62 2kmg h ALA 128 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2kmg h ALA 128 Cb 0.94 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2kmg h ALA 128 CO 0.08 0.00 -0.60 0.00 0.00 0.00 0.00 179.25 178.73 2kmg h ALA 129 N 2.03 0.71 -0.00 0.00 0.00 -1.45 -3.07 119.26 117.47 2kmg h ALA 129 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2kmg h ALA 129 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kmg h ALA 129 CO 0.00 0.75 -0.03 0.41 0.00 0.00 0.00 179.25 180.38 2kmg n GLY 130 N 0.91 -1.02 3.84 0.00 0.00 -0.50 -4.75 105.19 103.68 2kmg n GLY 130 Ca 0.01 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.32 3.38 0.06 1.61 3.76 -1.16 -4.85 115.29 115.77 2kmg s HIS 131 Ca 0.36 1.41 0.33 0.00 -0.15 0.00 0.00 55.06 57.01 2kmg s HIS 131 Cb 0.21 -2.72 1.48 0.00 1.11 0.00 0.00 32.58 32.66 2kmg s HIS 131 CO 0.43 -0.14 1.98 -1.00 -0.85 0.00 0.00 174.74 175.15 2kmg h PRO 132 N 1.61 0.00 -0.33 8.40 0.13 -1.88 -1.93 132.00 137.99 2kmg h PRO 132 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kmg h PRO 132 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kmg h PRO 132 CO 0.62 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 2kmg n GLU 133 N -2.84 3.06 -0.32 0.86 4.71 -1.26 -4.69 120.64 120.16 2kmg n GLU 133 Ca 0.00 -2.63 0.15 0.00 -0.01 0.00 0.00 57.16 54.68 2kmg n GLU 133 Cb 0.22 -1.70 0.32 0.00 -1.01 0.00 0.00 31.44 29.27 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 2.12 1.31 -0.66 0.62 0.00 -1.47 0.43 119.26 121.60 2kmg h ALA 134 Ca 0.00 0.28 0.09 0.00 0.00 0.00 0.00 54.91 55.28 2kmg h ALA 134 Cb 1.26 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 2kmg h ALA 134 CO 0.17 -0.57 0.30 0.00 0.00 0.00 0.00 179.25 179.16 2kmg h ALA 135 N 1.89 0.90 -0.20 0.00 0.00 -1.84 -0.23 119.26 119.77 2kmg h ALA 135 Ca 0.60 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.42 2kmg h ALA 135 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2kmg h ALA 135 CO -0.78 -0.10 -0.49 0.00 0.00 0.00 0.00 179.25 177.87 2kmg h ALA 136 N 1.42 0.76 0.08 0.00 0.00 -0.57 -2.80 119.26 118.15 2kmg h ALA 136 Ca 0.33 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kmg h ALA 136 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kmg h ALA 136 CO -0.28 0.67 -0.04 0.82 0.00 0.00 0.00 179.25 180.43 2kmg h ILE 137 N 0.44 1.12 -0.32 0.00 2.04 -0.39 -0.85 117.51 119.56 2kmg h ILE 137 Ca 0.02 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 64.99 2kmg h ILE 137 Cb 1.02 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 2kmg h ILE 137 CO 0.09 0.19 -0.18 0.10 0.00 0.00 0.00 178.15 178.36 2kmg h TYR 138 N -0.48 0.64 -0.04 1.37 -0.00 -1.15 -2.51 116.97 114.80 2kmg h TYR 138 Ca -0.01 -0.12 -0.18 0.00 -0.00 0.00 0.00 58.73 58.42 2kmg h TYR 138 Cb 0.41 -0.16 -0.01 0.00 -0.00 0.00 0.00 36.73 36.96 2kmg h TYR 138 CO 0.05 0.72 -0.75 0.07 -0.00 0.00 0.00 178.16 178.24 2kmg h ARG 139 N 0.52 0.25 -0.04 0.10 0.11 -1.53 0.69 114.38 114.48 2kmg h ARG 139 Ca 0.09 -0.22 -0.04 0.00 0.10 0.00 0.00 59.98 59.91 2kmg h ARG 139 Cb 0.60 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.73 2kmg h ARG 139 CO 0.04 0.89 -0.16 0.00 0.10 0.00 0.00 179.97 180.84 2kmg h ALA 140 N 1.04 1.67 0.00 0.08 0.00 -0.81 -2.28 119.26 118.96 2kmg h ALA 140 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kmg h ALA 140 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kmg h ALA 140 CO 0.12 0.25 -1.32 0.44 0.00 0.00 0.00 179.25 178.73 2kmg n ILE 141 N -4.32 0.11 0.25 0.00 -5.35 -0.97 -4.67 119.36 104.40 2kmg n ILE 141 Ca -0.02 -0.29 0.02 0.00 -0.27 0.00 0.00 62.75 62.19 2kmg n ILE 141 Cb 0.24 0.28 0.12 0.00 -1.74 0.00 0.00 39.64 38.54 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12