#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmg s ASN 2 N 0.00 6.40 -0.00 3.17 4.22 -1.26 -4.98 114.94 122.48 2kmg s ASN 2 Ca 0.00 0.47 0.16 0.00 -2.14 0.00 0.00 52.86 51.35 2kmg s ASN 2 Cb 0.00 -2.11 -0.19 0.00 1.28 0.00 0.00 41.25 40.23 2kmg s ASN 2 CO 0.00 0.30 0.60 1.07 -2.04 0.00 0.00 177.10 177.03 2kmg n THR 3 N 2.56 0.00 -2.19 0.54 5.66 -1.26 -5.00 114.28 114.59 2kmg n THR 3 Ca -0.17 -0.18 -0.27 0.00 -3.05 0.00 0.00 64.05 60.38 2kmg n THR 3 Cb 0.54 0.81 0.12 0.00 -1.55 0.00 0.00 70.33 70.25 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 -2.62 1.49 -0.17 1.09 0.41 -1.26 -5.10 118.70 112.54 2kmg s GLU 4 Ca 0.03 -0.51 -0.04 0.00 -0.41 0.00 0.00 54.97 54.04 2kmg s GLU 4 Cb 0.12 -2.08 0.08 0.00 -1.78 0.00 0.00 34.13 30.46 2kmg s GLU 4 CO 0.65 -1.73 0.26 -2.00 -0.49 0.00 0.00 175.26 171.95 2kmg s GLU 5 N -5.47 0.18 -0.25 1.61 2.56 -1.26 -5.02 118.70 111.06 2kmg s GLU 5 Ca 0.67 0.52 -0.12 0.00 0.00 0.00 0.00 54.97 56.04 2kmg s GLU 5 Cb -0.07 -0.52 -0.05 0.00 2.00 0.00 0.00 34.13 35.49 2kmg s GLU 5 CO 0.48 -0.46 0.22 1.14 -0.56 0.00 0.00 175.26 176.07 2kmg s GLN 6 N 2.40 4.04 0.00 4.30 1.03 -1.26 -4.95 119.66 125.22 2kmg s GLN 6 Ca 0.05 -0.20 0.02 0.00 0.04 0.00 0.00 55.36 55.27 2kmg s GLN 6 Cb -0.14 -3.59 0.13 0.00 0.03 0.00 0.00 33.01 29.44 2kmg s GLN 6 CO -0.11 -0.05 0.61 -2.30 -2.54 0.00 0.00 175.29 170.90 2kmg n PRO 7 N 4.63 0.49 -3.27 9.60 -0.02 -1.26 -4.73 135.00 140.45 2kmg n PRO 7 Ca -0.13 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 60.96 2kmg n PRO 7 Cb 0.52 -1.07 -0.06 0.00 -0.02 0.00 0.00 33.50 32.87 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 5.15 -0.12 -1.45 1.01 -1.26 -5.02 120.40 116.71 2kmg s VAL 8 Ca 0.03 1.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.96 2kmg s VAL 8 Cb 0.01 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2kmg s VAL 8 CO 0.02 0.33 0.31 0.42 0.00 0.00 0.00 175.10 176.18 2kmg s THR 9 N 0.57 -0.00 0.76 3.92 -4.23 -1.26 -4.82 115.64 110.57 2kmg s THR 9 Ca 0.28 0.01 -0.13 0.00 -1.18 0.00 0.00 61.69 60.68 2kmg s THR 9 Cb -0.16 -0.44 0.18 0.00 1.34 0.00 0.00 72.50 73.42 2kmg s THR 9 CO 0.12 0.01 0.97 0.00 -0.54 0.00 0.00 174.62 175.17 2kmg n ALA 10 N 3.07 -1.38 -3.44 3.99 0.00 -1.26 -3.32 120.51 118.17 2kmg n ALA 10 Ca -0.14 -1.28 -0.14 0.00 0.00 0.00 0.00 53.44 51.87 2kmg n ALA 10 Cb 0.57 -0.07 -0.04 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 -4.48 -0.58 -0.32 0.00 0.15 -0.79 -4.88 113.70 102.79 2kmg s SER 11 Ca 0.56 0.27 -0.19 0.00 0.70 0.00 0.00 55.95 57.29 2kmg s SER 11 Cb -0.02 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.84 2kmg s SER 11 CO 0.40 -0.81 0.56 -0.22 1.20 0.00 0.00 173.24 174.37 2kmg s LEU 12 N -2.10 4.21 0.47 3.45 2.96 -1.26 -0.90 118.68 125.51 2kmg s LEU 12 Ca -0.04 0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 53.92 2kmg s LEU 12 Cb -0.01 -2.69 -0.09 0.00 0.50 0.00 0.00 46.19 43.90 2kmg s LEU 12 CO -0.03 -0.45 0.97 -0.69 -1.32 0.00 0.00 176.35 174.82 2kmg s VAL 13 N 2.47 4.45 0.88 1.68 1.01 -1.20 -5.00 120.40 124.68 2kmg s VAL 13 Ca 0.22 1.35 -0.14 0.00 0.00 0.00 0.00 61.98 63.41 2kmg s VAL 13 Cb -0.15 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2kmg s VAL 13 CO 0.12 -0.50 0.47 0.00 0.00 0.00 0.00 175.10 175.19 2kmg n ALA 14 N -1.10 -2.19 0.16 5.51 0.00 -1.26 -4.67 120.51 116.96 2kmg n ALA 14 Ca 0.07 -0.49 0.02 0.00 0.00 0.00 0.00 53.44 53.04 2kmg n ALA 14 Cb 0.54 -1.83 0.25 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.16 0.00 -0.01 0.00 -0.00 -1.99 0.78 114.58 112.20 2kmg h GLU 15 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.92 2kmg h GLU 15 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.05 2kmg h GLU 15 CO 0.37 0.50 -0.52 0.00 -0.00 0.00 0.00 179.01 179.36 2kmg n ALA 16 N -2.37 3.65 0.20 1.06 0.00 -1.26 -4.11 120.51 117.69 2kmg n ALA 16 Ca -0.01 -0.53 0.05 0.00 0.00 0.00 0.00 53.44 52.96 2kmg n ALA 16 Cb 0.56 -0.93 -0.08 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 -0.66 1.53 0.18 0.00 1.13 -1.12 -4.45 117.38 113.98 2kmg n GLN 17 Ca 0.09 -0.06 0.05 0.00 -1.94 0.00 0.00 57.00 55.13 2kmg n GLN 17 Cb 0.39 -1.17 0.27 0.00 0.11 0.00 0.00 30.24 29.84 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 -0.99 -0.15 114.38 112.26 2kmg h ARG 18 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 2kmg h ARG 18 Cb 0.42 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 2kmg h ARG 18 CO 0.00 0.41 -0.31 1.37 0.10 0.00 0.00 179.97 181.54 2kmg h LEU 19 N 0.00 0.00 0.00 0.08 8.10 -1.78 -3.05 115.31 118.66 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 1.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.23 2kmg h LEU 19 CO 0.05 0.31 -1.58 -0.67 -4.11 0.00 0.00 178.44 172.44 2kmg n ASP 20 N -3.58 1.00 -0.10 0.17 2.03 -1.13 -4.39 116.55 110.54 2kmg n ASP 20 Ca -0.01 -0.19 -0.06 0.00 0.52 0.00 0.00 54.79 55.06 2kmg n ASP 20 Cb 0.44 1.62 0.12 0.00 -0.72 0.00 0.00 41.12 42.59 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 0.87 0.62 -0.67 3.57 -0.92 -0.84 116.94 119.57 2kmg h PHE 21 Ca 0.00 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 2kmg h PHE 21 Cb 0.71 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 39.23 2kmg h PHE 21 CO 0.00 0.85 -0.30 1.25 -2.23 0.00 0.00 178.31 177.89 2kmg h LEU 22 N 0.73 -0.70 -1.01 0.59 5.85 -1.74 -2.03 115.31 116.99 2kmg h LEU 22 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2kmg h LEU 22 Cb 0.58 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2kmg h LEU 22 CO 0.04 -0.46 0.00 -0.81 -0.34 0.00 0.00 178.44 176.87 2kmg n PRO 23 N -5.42 0.18 0.01 5.25 -0.04 -1.20 0.46 135.00 134.25 2kmg n PRO 23 Ca -0.13 0.51 -0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2kmg n PRO 23 Cb 0.35 -1.92 0.02 0.00 -0.04 0.00 0.00 33.50 31.91 2kmg n PRO 23 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2kmg h THR 24 N 0.00 1.33 0.00 0.52 2.02 -0.48 -3.22 112.91 113.08 2kmg h THR 24 Ca 0.00 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.25 2kmg h THR 24 Cb 0.23 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2kmg h THR 24 CO 0.00 0.60 0.00 -1.22 0.37 0.00 0.00 175.52 175.27 2kmg n TYR 25 N -3.92 0.00 -0.33 3.16 4.01 -0.74 -4.77 117.16 114.57 2kmg n TYR 25 Ca -0.04 0.00 0.28 0.00 -0.16 0.00 0.00 57.90 57.98 2kmg n TYR 25 Cb 0.66 0.00 0.52 0.00 -0.31 0.00 0.00 39.34 40.21 2kmg n TYR 25 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 2kmg h PHE 26 N 0.00 0.64 0.00 -0.72 -1.00 -0.20 -3.46 116.94 112.20 2kmg h PHE 26 Ca 0.00 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.83 2kmg h PHE 26 Cb 0.00 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.45 2kmg h PHE 26 CO 0.00 -0.47 0.00 0.41 -1.61 0.00 0.00 178.31 176.64 2kmg n GLY 27 N -1.31 3.25 0.12 -1.45 0.00 0.18 -4.29 105.19 101.69 2kmg n GLY 27 Ca 0.35 -1.56 0.08 0.00 0.00 0.00 0.00 46.02 44.88 2kmg n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kmg n PRO 28 N 0.31 0.10 -0.13 1.61 -0.04 -1.22 -1.47 135.00 134.16 2kmg n PRO 28 Ca 0.00 0.59 -0.19 0.00 -0.04 0.00 0.00 63.50 63.85 2kmg n PRO 28 Cb 0.00 -1.86 -0.11 0.00 -0.04 0.00 0.00 33.50 31.49 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 -2.03 0.62 0.17 0.54 3.00 -1.26 -4.51 116.66 113.17 2kmg n ARG 29 Ca -0.01 0.16 0.01 0.00 -0.00 0.00 0.00 57.85 58.02 2kmg n ARG 29 Cb 0.06 -1.49 0.32 0.00 0.00 0.00 0.00 32.46 31.35 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 -0.18 0.03 -0.97 6.15 4.07 -1.58 -3.25 115.31 119.59 2kmg h LEU 30 Ca -0.58 -0.01 0.33 0.00 0.08 0.00 0.00 57.88 57.69 2kmg h LEU 30 Cb 1.82 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 43.46 2kmg h LEU 30 CO -0.15 0.43 0.64 1.15 -1.08 0.00 0.00 178.44 179.43 2kmg n MET 31 N -4.06 -0.02 -0.10 1.13 0.00 -0.54 0.16 117.12 113.69 2kmg n MET 31 Ca -0.02 0.83 -0.12 0.00 0.00 0.00 0.00 57.70 58.39 2kmg n MET 31 Cb 0.44 -1.66 -0.11 0.00 0.00 0.00 0.00 33.22 31.88 2kmg n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kmg n MET 32 N -3.94 0.84 0.07 3.17 0.00 -1.23 -3.47 117.12 112.56 2kmg n MET 32 Ca 0.27 0.07 0.10 0.00 0.00 0.00 0.00 57.70 58.14 2kmg n MET 32 Cb 1.09 -1.42 0.41 0.00 0.00 0.00 0.00 33.22 33.29 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 -2.92 0.11 -0.07 3.17 5.12 0.21 -2.58 116.66 119.69 2kmg n ARG 33 Ca -0.33 0.34 -0.13 0.00 -1.93 0.00 0.00 57.85 55.80 2kmg n ARG 33 Cb 0.96 -1.70 -0.06 0.00 -1.16 0.00 0.00 32.46 30.50 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 0.02 -0.22 0.33 -0.13 0.00 0.42 -4.14 105.19 101.47 2kmg n GLY 34 Ca 0.03 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.04 2kmg n GLY 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2kmg h GLU 35 N -0.27 0.55 0.00 1.61 4.11 -1.62 -0.66 114.58 118.30 2kmg h GLU 35 Ca -0.34 -0.03 -0.15 0.00 0.07 0.00 0.00 59.36 58.90 2kmg h GLU 35 Cb 1.40 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2kmg h GLU 35 CO -0.14 0.37 -0.74 0.00 0.07 0.00 0.00 179.01 178.57 2kmg h ALA 36 N 1.69 0.75 -0.10 1.06 0.00 -1.75 -3.09 119.26 117.83 2kmg h ALA 36 Ca 0.23 -0.67 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 2kmg h ALA 36 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2kmg h ALA 36 CO -0.06 0.92 -0.76 1.25 0.00 0.00 0.00 179.25 180.60 2kmg h LEU 37 N 0.00 0.64 -0.35 0.00 5.85 -1.31 -1.53 115.31 118.61 2kmg h LEU 37 Ca -0.01 -0.43 -0.15 0.00 0.84 0.00 0.00 57.88 58.14 2kmg h LEU 37 Cb 1.33 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2kmg h LEU 37 CO 0.10 1.19 -0.36 -0.37 -0.34 0.00 0.00 178.44 178.65 2kmg h VAL 38 N 0.36 1.28 0.00 1.05 -1.51 -1.37 -2.93 116.25 113.13 2kmg h VAL 38 Ca -0.04 -1.54 -0.06 0.00 -1.23 0.00 0.00 66.70 63.83 2kmg h VAL 38 Cb 1.36 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.97 2kmg h VAL 38 CO 0.14 0.51 -0.28 0.10 -1.23 0.00 0.00 177.57 176.80 2kmg h TYR 39 N 0.65 0.00 -0.80 5.19 -0.00 -1.59 -2.97 116.97 117.45 2kmg h TYR 39 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.75 2kmg h TYR 39 Cb 0.95 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.65 2kmg h TYR 39 CO 0.07 0.28 0.39 0.00 -0.00 0.00 0.00 178.16 178.90 2kmg h ALA 40 N 1.72 1.03 -0.00 0.10 0.00 -1.09 -2.05 119.26 118.97 2kmg h ALA 40 Ca -0.00 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 2kmg h ALA 40 Cb 1.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kmg h ALA 40 CO 0.04 0.59 -0.86 -1.49 0.00 0.00 0.00 179.25 177.54 2kmg h TRP 41 N 1.13 0.30 -0.28 0.00 4.06 -1.50 -3.24 115.95 116.42 2kmg h TRP 41 Ca 0.28 -0.16 0.00 0.00 2.06 0.00 0.00 58.89 61.07 2kmg h TRP 41 Cb 0.12 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 2kmg h TRP 41 CO 0.01 0.96 0.18 1.98 -3.56 0.00 0.00 178.44 178.02 2kmg h MET 42 N 0.12 0.37 0.00 0.49 4.05 -1.29 -1.47 114.93 117.20 2kmg h MET 42 Ca -0.04 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2kmg h MET 42 Cb 1.47 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.19 2kmg h MET 42 CO 0.13 0.25 0.00 0.07 0.23 0.00 0.00 176.91 177.59 2kmg h ARG 43 N 0.38 0.00 0.00 0.39 0.11 -1.45 -1.23 114.38 112.58 2kmg h ARG 43 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 2kmg h ARG 43 Cb -0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.05 2kmg h ARG 43 CO -0.02 0.00 -0.24 0.00 0.10 0.00 0.00 179.97 179.81 2kmg h ARG 44 N 0.00 0.00 0.00 0.08 3.08 -1.30 -3.28 114.38 112.96 2kmg h ARG 44 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 2kmg h ARG 44 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2kmg h ARG 44 CO 0.00 0.00 -1.11 -0.07 -1.07 0.00 0.00 179.97 177.72 2kmg h LEU 45 N 0.00 0.00 -8.26 3.04 3.38 -0.97 -3.44 115.31 109.06 2kmg h LEU 45 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2kmg h LEU 45 Cb 0.96 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.43 2kmg h LEU 45 CO 0.00 0.95 -0.81 0.00 0.09 0.00 0.00 178.44 178.67 2kmg h GLU 47 N 5.61 0.00 -1.64 0.00 4.11 -1.89 -3.31 114.58 117.46 2kmg h GLU 47 Ca -0.36 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.45 2kmg h GLU 47 Cb 1.16 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.02 2kmg h GLU 47 CO 0.48 0.16 -0.35 2.89 0.07 0.00 0.00 179.01 182.26 2kmg n ARG 48 N -3.07 3.30 -3.69 1.06 1.85 -1.26 -4.96 116.66 109.89 2kmg n ARG 48 Ca 0.02 -4.32 -0.38 0.00 -1.00 0.00 0.00 57.85 52.18 2kmg n ARG 48 Cb 0.61 -2.26 -0.10 0.00 -1.05 0.00 0.00 32.46 29.67 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 -3.65 3.49 -0.01 2.89 6.14 -1.25 -4.96 117.35 120.00 2kmg s TYR 49 Ca 0.49 -2.46 -0.22 0.00 0.64 0.00 0.00 57.07 55.52 2kmg s TYR 49 Cb 0.40 -3.29 -0.12 0.00 0.42 0.00 0.00 41.96 39.37 2kmg s TYR 49 CO -0.23 -0.91 0.91 -0.91 0.64 0.00 0.00 175.55 175.04 2kmg h ASN 50 N 7.59 -0.66 0.00 4.32 -0.26 -1.94 -3.45 115.58 121.18 2kmg h ASN 50 Ca -0.07 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 2kmg h ASN 50 Cb 1.00 0.17 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 2kmg h ASN 50 CO 0.73 -0.27 0.00 0.61 -1.06 0.00 0.00 177.43 177.44 2kmg n GLY 51 N -0.23 -1.59 3.89 2.83 0.00 -1.26 -5.07 105.19 103.75 2kmg n GLY 51 Ca -0.10 -1.09 0.01 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 -1.33 -2.27 -0.69 4.61 0.00 -1.26 -4.98 121.76 115.84 2kmg s ALA 52 Ca 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 51.96 51.87 2kmg s ALA 52 Cb 0.00 0.76 0.10 0.00 0.00 0.00 0.00 23.12 23.98 2kmg s ALA 52 CO 0.00 -1.12 0.89 0.71 0.00 0.00 0.00 175.76 176.24 2kmg s TYR 53 N -2.14 2.92 -1.23 0.00 2.02 -1.26 -4.71 117.35 112.94 2kmg s TYR 53 Ca 0.25 -0.92 -0.20 0.00 -0.37 0.00 0.00 57.07 55.83 2kmg s TYR 53 Cb 0.00 -4.17 -0.01 0.00 -0.40 0.00 0.00 41.96 37.38 2kmg s TYR 53 CO -0.00 -1.46 1.85 0.91 -1.57 0.00 0.00 175.55 175.28 2kmg n TRP 54 N 6.83 3.61 -1.54 2.71 8.01 -1.26 -0.83 117.44 134.98 2kmg n TRP 54 Ca -0.00 -2.15 -0.43 0.00 -1.31 0.00 0.00 57.50 53.60 2kmg n TRP 54 Cb 0.45 -2.60 -0.01 0.00 -2.01 0.00 0.00 31.31 27.15 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 11.17 0.58 -2.95 -5.99 8.25 0.29 -4.35 115.22 122.22 2kmg n HIS 55 Ca 0.47 0.68 -0.40 0.00 -0.26 0.00 0.00 57.72 58.20 2kmg n HIS 55 Cb 0.46 -2.14 -0.04 0.00 1.12 0.00 0.00 29.99 29.38 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 -1.21 3.56 -0.02 4.41 2.02 -1.26 -1.79 117.35 123.06 2kmg s TYR 56 Ca 0.61 1.33 0.07 0.00 -0.37 0.00 0.00 57.07 58.72 2kmg s TYR 56 Cb -0.67 -2.91 -0.02 0.00 -0.40 0.00 0.00 41.96 37.96 2kmg s TYR 56 CO 0.58 -0.00 -0.24 0.71 -1.57 0.00 0.00 175.55 175.03 2kmg s TYR 57 N 1.13 2.39 -0.34 2.71 2.02 0.69 -3.22 117.35 122.73 2kmg s TYR 57 Ca 0.40 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.66 2kmg s TYR 57 Cb -0.18 -1.51 0.05 0.00 -0.40 0.00 0.00 41.96 39.92 2kmg s TYR 57 CO 0.19 0.02 0.10 0.00 -1.57 0.00 0.00 175.55 174.28 2kmg s ALA 58 N -0.66 3.02 0.32 3.71 0.00 -0.08 -2.30 121.76 125.77 2kmg s ALA 58 Ca 0.11 -1.81 -0.16 0.00 0.00 0.00 0.00 51.96 50.10 2kmg s ALA 58 Cb -0.10 -2.24 -0.09 0.00 0.00 0.00 0.00 23.12 20.69 2kmg s ALA 58 CO -0.00 -1.36 0.75 -0.51 0.00 0.00 0.00 175.76 174.63 2kmg s LEU 59 N 1.36 4.08 0.41 0.00 1.43 -1.26 -1.89 118.68 122.81 2kmg s LEU 59 Ca -0.02 1.31 0.21 0.00 -1.03 0.00 0.00 54.13 54.61 2kmg s LEU 59 Cb -0.20 -4.07 0.85 0.00 0.03 0.00 0.00 46.19 42.80 2kmg s LEU 59 CO 0.02 -0.20 1.80 0.77 0.23 0.00 0.00 176.35 178.97 2kmg h SER 60 N 2.31 0.00 0.28 2.29 4.64 -1.92 -2.98 113.55 118.18 2kmg h SER 60 Ca -0.48 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.70 2kmg h SER 60 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2kmg h SER 60 CO 0.65 0.29 -0.57 0.44 -0.87 0.00 0.00 176.83 176.77 2kmg h ASP 61 N 0.00 0.34 0.00 4.97 3.32 -1.93 -3.47 116.42 119.65 2kmg h ASP 61 Ca -0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2kmg h ASP 61 Cb 0.78 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2kmg h ASP 61 CO 0.04 0.84 0.00 0.61 -1.72 0.00 0.00 179.24 179.01 2kmg n GLY 62 N 0.22 1.44 0.09 2.75 0.00 -1.12 -5.03 105.19 103.54 2kmg n GLY 62 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 0.06 -3.42 -0.02 0.00 -1.81 -3.46 103.07 94.43 2kmg h GLY 63 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2kmg h GLY 63 CO 0.00 0.13 -0.76 0.69 0.00 0.00 0.00 176.54 176.60 2kmg n PHE 64 N -4.43 -3.90 -4.17 5.60 3.72 -1.26 -4.94 117.46 108.09 2kmg n PHE 64 Ca -0.20 2.15 -0.11 0.00 -0.05 0.00 0.00 57.45 59.24 2kmg n PHE 64 Cb 0.63 -3.29 -0.10 0.00 -0.94 0.00 0.00 39.48 35.78 2kmg n PHE 64 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2kmg s TYR 65 N -1.26 1.01 0.07 1.38 1.13 -0.97 -4.95 117.35 113.75 2kmg s TYR 65 Ca 0.00 -1.29 0.08 0.00 -1.41 0.00 0.00 57.07 54.45 2kmg s TYR 65 Cb 0.00 -0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 40.35 2kmg s TYR 65 CO 0.00 -0.63 -0.21 -1.64 -2.51 0.00 0.00 175.55 170.56 2kmg s MET 66 N -4.12 1.30 -0.04 -3.49 -1.94 -1.26 -0.22 119.30 109.53 2kmg s MET 66 Ca 0.33 -1.04 -0.00 0.00 -1.71 0.00 0.00 55.69 53.27 2kmg s MET 66 Cb 0.07 -1.49 0.03 0.00 2.01 0.00 0.00 34.83 35.44 2kmg s MET 66 CO 0.09 0.37 0.01 0.00 -0.01 0.00 0.00 175.02 175.47 2kmg s ALA 67 N -0.94 0.44 0.99 3.03 0.00 -0.74 -4.48 121.76 120.06 2kmg s ALA 67 Ca 0.07 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 2kmg s ALA 67 Cb -0.09 -0.50 0.12 0.00 0.00 0.00 0.00 23.12 22.65 2kmg s ALA 67 CO 0.03 -0.24 0.71 -2.30 0.00 0.00 0.00 175.76 173.96 2kmg n PRO 68 N 4.60 -0.78 -3.49 0.00 -0.02 -1.20 -0.55 135.00 133.57 2kmg n PRO 68 Ca -0.17 -0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 60.71 2kmg n PRO 68 Cb 0.50 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 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 -2.28 6.20 -0.18 2.55 2.15 -0.01 -4.42 116.67 120.68 2kmg s ASP 69 Ca 0.62 -2.91 -0.04 0.00 0.43 0.00 0.00 52.55 50.64 2kmg s ASP 69 Cb -0.21 -2.06 0.06 0.00 -0.30 0.00 0.00 42.92 40.41 2kmg s ASP 69 CO 0.64 -0.44 0.08 -0.76 -0.17 0.00 0.00 175.17 174.51 2kmg s LEU 70 N -0.17 0.57 -0.47 -1.34 1.43 -1.26 -4.44 118.68 113.00 2kmg s LEU 70 Ca 0.19 -0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 52.41 2kmg s LEU 70 Cb -0.13 -0.34 0.04 0.00 0.03 0.00 0.00 46.19 45.79 2kmg s LEU 70 CO -0.07 -0.34 0.56 0.00 0.23 0.00 0.00 176.35 176.73 2kmg s ALA 71 N 2.06 3.40 0.00 4.21 0.00 -1.26 -3.35 121.76 126.83 2kmg s ALA 71 Ca 0.02 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.38 2kmg s ALA 71 Cb -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2kmg s ALA 71 CO -0.10 -1.83 0.00 0.41 0.00 0.00 0.00 175.76 174.24 2kmg n GLY 72 N 5.13 0.57 3.32 0.00 0.00 -1.26 -5.06 105.19 107.89 2kmg n GLY 72 Ca -0.06 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 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 2.76 -0.23 1.61 0.52 -1.26 -4.37 118.95 115.97 2kmg s ARG 73 Ca 0.00 -1.10 -0.01 0.00 -0.52 0.00 0.00 55.73 54.10 2kmg s ARG 73 Cb 0.00 -3.55 0.02 0.00 0.52 0.00 0.00 34.95 31.94 2kmg s ARG 73 CO 0.00 -0.65 -0.08 -0.51 0.02 0.00 0.00 175.30 174.08 2kmg s LEU 74 N 1.47 3.00 -0.35 2.53 1.02 -1.26 -4.98 118.68 120.11 2kmg s LEU 74 Ca 0.00 -0.81 -0.27 0.00 0.02 0.00 0.00 54.13 53.06 2kmg s LEU 74 Cb -0.19 -1.64 -0.04 0.00 0.02 0.00 0.00 46.19 44.34 2kmg s LEU 74 CO 0.04 -0.10 2.13 -1.61 0.02 0.00 0.00 176.35 176.83 2kmg s GLU 75 N 1.32 2.87 -0.29 1.70 2.02 -1.26 -2.07 118.70 122.99 2kmg s GLU 75 Ca 0.01 1.58 0.01 0.00 0.02 0.00 0.00 54.97 56.59 2kmg s GLU 75 Cb -0.16 -4.38 0.06 0.00 0.10 0.00 0.00 34.13 29.75 2kmg s GLU 75 CO -0.06 -2.40 -0.03 0.42 0.02 0.00 0.00 175.26 173.21 2kmg s ILE 76 N 9.01 2.60 -0.31 -1.63 -1.09 -1.22 -4.78 121.20 123.77 2kmg s ILE 76 Ca 0.91 -1.63 -0.29 0.00 -2.23 0.00 0.00 60.65 57.42 2kmg s ILE 76 Cb -0.24 -2.57 0.02 0.00 -1.58 0.00 0.00 42.46 38.09 2kmg s ILE 76 CO 0.31 -0.16 1.06 -1.61 -1.23 0.00 0.00 174.94 173.31 2kmg s GLU 77 N 1.15 4.08 -0.84 2.79 2.02 0.13 -3.10 118.70 124.92 2kmg s GLU 77 Ca -0.04 1.07 -0.21 0.00 0.02 0.00 0.00 54.97 55.81 2kmg s GLU 77 Cb -0.20 -3.73 0.10 0.00 0.10 0.00 0.00 34.13 30.40 2kmg s GLU 77 CO -0.04 -0.87 1.10 0.08 0.02 0.00 0.00 175.26 175.56 2kmg s VAL 78 N 3.58 4.50 0.29 2.63 1.01 -0.71 -4.16 120.40 127.54 2kmg s VAL 78 Ca 0.45 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2kmg s VAL 78 Cb -0.13 -4.77 0.10 0.00 0.00 0.00 0.00 36.38 31.59 2kmg s VAL 78 CO 0.14 -1.53 1.77 -0.55 0.00 0.00 0.00 175.10 174.93 2kmg h ASN 79 N 9.19 0.59 -1.54 3.32 7.08 -1.86 0.50 115.58 132.85 2kmg h ASN 79 Ca 0.00 -0.16 0.45 0.00 -3.08 0.00 0.00 56.30 53.51 2kmg h ASN 79 Cb 1.04 -0.16 -0.06 0.00 -2.08 0.00 0.00 38.32 37.06 2kmg h ASN 79 CO 1.17 0.73 1.31 1.23 -2.08 0.00 0.00 177.43 179.79 2kmg h GLY 80 N 0.95 0.00 -0.33 9.14 0.00 -1.89 -2.01 103.07 108.93 2kmg h GLY 80 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2kmg h GLY 80 CO 0.03 0.00 -0.08 1.16 0.00 0.00 0.00 176.54 177.65 2kmg n ASN 81 N -3.64 0.00 -0.69 0.19 0.23 -1.14 -4.90 115.26 105.32 2kmg n ASN 81 Ca 0.35 -1.15 -0.09 0.00 -0.53 0.00 0.00 54.58 53.15 2kmg n ASN 81 Cb 1.78 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 39.41 2kmg n ASN 81 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kmg n GLY 82 N 0.00 1.02 3.57 4.83 0.00 0.15 -4.92 105.19 109.83 2kmg n GLY 82 Ca 0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.15 2.51 -0.49 1.61 5.36 0.35 -4.85 117.98 120.31 2kmg s PHE 83 Ca 0.00 -0.87 -0.28 0.00 -0.96 0.00 0.00 56.93 54.82 2kmg s PHE 83 Cb 0.00 -4.63 0.01 0.00 -0.34 0.00 0.00 43.02 38.06 2kmg s PHE 83 CO 0.00 -1.86 1.48 0.50 -1.46 0.00 0.00 175.22 173.88 2kmg s ARG 84 N 5.02 3.35 -0.28 10.12 3.52 -1.26 -1.74 118.95 137.68 2kmg s ARG 84 Ca 0.51 0.71 -0.21 0.00 -0.13 0.00 0.00 55.73 56.61 2kmg s ARG 84 Cb 0.00 -4.11 0.11 0.00 -1.56 0.00 0.00 34.95 29.39 2kmg s ARG 84 CO -0.04 -1.86 0.91 0.20 -0.81 0.00 0.00 175.30 173.71 2kmg s GLY 85 N 4.66 -0.25 0.50 8.12 0.00 -1.18 -4.96 107.32 114.20 2kmg s GLY 85 Ca 0.59 2.66 -0.21 0.00 0.00 0.00 0.00 44.72 47.76 2kmg s GLY 85 CO 0.28 2.11 1.11 -1.83 0.00 0.00 0.00 173.10 174.78 2kmg s GLU 86 N 0.77 3.63 -0.10 2.90 -1.05 -1.26 -3.43 118.70 120.16 2kmg s GLU 86 Ca -0.03 1.59 -0.30 0.00 -0.15 0.00 0.00 54.97 56.09 2kmg s GLU 86 Cb -0.05 -2.18 0.08 0.00 -0.44 0.00 0.00 34.13 31.54 2kmg s GLU 86 CO -0.10 -0.62 0.72 -1.17 0.95 0.00 0.00 175.26 175.05 2kmg s LEU 87 N -3.42 -0.64 0.75 1.83 2.96 -0.88 -4.85 118.68 114.44 2kmg s LEU 87 Ca 0.68 0.80 -0.12 0.00 -0.22 0.00 0.00 54.13 55.27 2kmg s LEU 87 Cb -0.23 2.46 0.05 0.00 0.50 0.00 0.00 46.19 48.96 2kmg s LEU 87 CO 0.27 -0.52 1.11 -0.94 -1.32 0.00 0.00 176.35 174.95 2kmg s SER 88 N -0.92 4.49 0.00 3.68 1.04 -1.26 -4.04 113.70 116.69 2kmg s SER 88 Ca -0.08 1.93 0.02 0.00 0.48 0.00 0.00 55.95 58.30 2kmg s SER 88 Cb -0.01 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.68 2kmg s SER 88 CO 0.08 -2.05 1.02 0.00 0.98 0.00 0.00 173.24 173.27 2kmg n ALA 89 N -3.27 1.17 -0.07 5.32 0.00 -1.21 -0.52 120.51 121.93 2kmg n ALA 89 Ca 0.10 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 2kmg n ALA 89 Cb 0.52 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 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 0.87 0.00 3.58 -1.84 -2.38 116.42 116.65 2kmg h ASP 90 Ca 0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2kmg h ASP 90 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2kmg h ASP 90 CO 0.00 0.91 0.00 0.00 -2.88 0.00 0.00 179.24 177.27 2kmg n ALA 91 N -3.27 2.13 -0.08 -0.78 0.00 -1.02 -3.28 120.51 114.22 2kmg n ALA 91 Ca -0.12 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 2kmg n ALA 91 Cb 0.33 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.52 1.36 0.33 0.00 0.00 0.32 -4.12 120.51 116.89 2kmg n ALA 92 Ca 0.06 -1.03 0.22 0.00 0.00 0.00 0.00 53.44 52.69 2kmg n ALA 92 Cb 0.29 -0.33 1.17 0.00 0.00 0.00 0.00 19.45 20.58 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 2.56 0.00 1.05 0.00 0.00 -1.41 -0.81 103.07 104.47 2kmg h GLY 93 Ca -0.51 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 2kmg h GLY 93 CO -0.00 0.00 -0.10 -2.22 0.00 0.00 0.00 176.54 174.22 2kmg h ILE 94 N 0.00 1.27 -0.06 2.60 1.08 -1.71 -2.08 117.51 118.61 2kmg h ILE 94 Ca 0.00 -1.23 -0.16 0.00 -0.39 0.00 0.00 64.86 63.08 2kmg h ILE 94 Cb 0.06 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 2kmg h ILE 94 CO -0.00 0.43 -0.68 0.58 -0.69 0.00 0.00 178.15 177.79 2kmg h VAL 95 N 0.80 1.40 -0.19 1.67 2.07 -1.36 -2.08 116.25 118.56 2kmg h VAL 95 Ca 0.13 -2.13 -0.04 0.00 0.82 0.00 0.00 66.70 65.47 2kmg h VAL 95 Cb 0.65 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2kmg h VAL 95 CO 0.04 0.63 -0.06 0.00 0.02 0.00 0.00 177.57 178.21 2kmg h ALA 96 N 1.09 0.26 -0.20 1.67 0.00 -1.34 -2.40 119.26 118.34 2kmg h ALA 96 Ca -0.02 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 2kmg h ALA 96 Cb 1.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2kmg h ALA 96 CO 0.11 0.05 -0.55 0.00 0.00 0.00 0.00 179.25 178.85 2kmg h THR 97 N 0.07 1.30 -0.09 0.00 1.03 -1.43 -3.11 112.91 110.69 2kmg h THR 97 Ca 0.05 -1.78 0.02 0.00 -0.01 0.00 0.00 66.41 64.69 2kmg h THR 97 Cb 0.51 1.88 -0.02 0.00 -1.07 0.00 0.00 68.15 69.45 2kmg h THR 97 CO 0.02 0.56 -0.06 -0.07 -0.01 0.00 0.00 175.52 175.96 2kmg h LEU 98 N 0.44 -0.18 -2.03 0.00 3.38 -1.42 -1.79 115.31 113.70 2kmg h LEU 98 Ca -0.01 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2kmg h LEU 98 Cb 1.17 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2kmg h LEU 98 CO 0.12 -0.08 0.17 -0.26 0.09 0.00 0.00 178.44 178.48 2kmg h PHE 99 N -0.06 0.00 -0.42 1.13 0.04 -1.49 -1.79 116.94 114.35 2kmg h PHE 99 Ca 0.06 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 2kmg h PHE 99 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2kmg h PHE 99 CO -0.17 0.00 -0.01 0.00 -0.60 0.00 0.00 178.31 177.52 2kmg h ALA 100 N 1.87 0.57 -0.84 2.45 0.00 -1.26 -3.05 119.26 119.01 2kmg h ALA 100 Ca 0.11 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2kmg h ALA 100 Cb 0.46 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2kmg h ALA 100 CO -0.00 0.37 0.53 -0.07 0.00 0.00 0.00 179.25 180.08 2kmg h LEU 101 N 0.59 0.86 -0.55 0.00 3.38 -1.08 -1.13 115.31 117.37 2kmg h LEU 101 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2kmg h LEU 101 Cb 0.51 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kmg h LEU 101 CO 0.02 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.73 2kmg n GLY 102 N -1.33 -1.21 0.12 0.83 0.00 -1.16 -2.58 105.19 99.86 2kmg n GLY 102 Ca 0.11 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2kmg n GLY 102 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kmg n GLN 103 N -2.07 0.65 0.01 1.61 7.27 -0.48 -3.83 117.38 120.54 2kmg n GLN 103 Ca 0.02 0.40 0.01 0.00 0.07 0.00 0.00 57.00 57.50 2kmg n GLN 103 Cb 0.21 -1.70 0.33 0.00 2.41 0.00 0.00 30.24 31.49 2kmg n GLN 103 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2kmg h LEU 104 N -0.50 0.46 -0.85 1.69 3.38 -1.40 -1.45 115.31 116.64 2kmg h LEU 104 Ca -0.42 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 2kmg h LEU 104 Cb 1.67 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 2kmg h LEU 104 CO -0.09 0.51 0.17 0.00 0.09 0.00 0.00 178.44 179.11 2kmg h ALA 105 N 1.56 1.06 -0.00 1.53 0.00 -1.67 -2.51 119.26 119.22 2kmg h ALA 105 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kmg h ALA 105 Cb 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kmg h ALA 105 CO 0.00 0.62 -0.26 0.00 0.00 0.00 0.00 179.25 179.62 2kmg n ALA 106 N -2.46 3.00 1.34 0.00 0.00 -0.96 -3.51 120.51 117.92 2kmg n ALA 106 Ca 0.05 -0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.37 2kmg n ALA 106 Cb 0.24 -1.27 0.52 0.00 0.00 0.00 0.00 19.45 18.94 2kmg n ALA 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kmg n GLU 107 N -1.40 0.73 -0.05 0.00 2.13 -0.59 -4.30 120.64 117.16 2kmg n GLU 107 Ca 0.07 -0.32 -0.11 0.00 0.66 0.00 0.00 57.16 57.46 2kmg n GLU 107 Cb 0.33 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 30.51 2kmg n GLU 107 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2kmg n ILE 108 N -0.85 0.99 -2.36 6.31 -5.35 -1.21 -5.08 119.36 111.81 2kmg n ILE 108 Ca 0.13 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 2kmg n ILE 108 Cb 0.30 -1.79 0.00 0.00 -1.74 0.00 0.00 39.64 36.41 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 -3.76 0.00 -3.73 -1.28 0.00 -1.23 -5.05 120.51 105.46 2kmg n ALA 109 Ca -0.20 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.07 2kmg n ALA 109 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 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 2.00 0.41 0.24 0.00 -4.77 -1.26 -4.10 116.67 109.19 2kmg s ASP 110 Ca 0.00 0.00 0.00 0.00 -3.30 0.00 0.00 52.55 49.25 2kmg s ASP 110 Cb 0.00 -0.17 0.00 0.00 -1.09 0.00 0.00 42.92 41.66 2kmg s ASP 110 CO 0.00 -0.12 0.00 0.41 0.70 0.00 0.00 175.17 176.16 2kmg n THR 111 N 4.28 -7.92 -1.12 2.11 -1.04 -1.26 -4.65 114.28 104.67 2kmg n THR 111 Ca -0.25 2.45 -0.04 0.00 -2.04 0.00 0.00 64.05 64.17 2kmg n THR 111 Cb 0.50 -3.87 -0.02 0.00 -1.82 0.00 0.00 70.33 65.12 2kmg n THR 111 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2kmg n ASP 112 N 0.89 -4.10 0.04 8.00 8.00 -1.26 -4.51 116.55 123.61 2kmg n ASP 112 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.60 2kmg n ASP 112 Cb 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 41.12 39.13 2kmg n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmg n ALA 113 N 1.08 0.04 0.98 2.24 0.00 -1.26 -4.86 120.51 118.73 2kmg n ALA 113 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.51 2kmg n ALA 113 Cb 0.24 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.67 2.49 -0.24 0.00 0.00 -1.25 -3.80 120.51 115.05 2kmg n ALA 114 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2kmg n ALA 114 Cb 0.00 -1.02 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 -0.25 0.00 0.00 0.00 177.50 177.25 2kmg n ASP 115 N 0.66 0.77 -0.08 0.00 9.92 -1.26 -4.61 116.55 121.94 2kmg n ASP 115 Ca 0.17 -1.00 -0.07 0.00 -0.53 0.00 0.00 54.79 53.36 2kmg n ASP 115 Cb 0.41 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.87 2kmg n ASP 115 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kmg n ALA 116 N -0.00 0.61 0.27 2.24 0.00 -1.25 -4.29 120.51 118.10 2kmg n ALA 116 Ca 0.00 -0.57 0.14 0.00 0.00 0.00 0.00 53.44 53.01 2kmg n ALA 116 Cb 0.06 0.01 0.66 0.00 0.00 0.00 0.00 19.45 20.18 2kmg n ALA 116 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2kmg h LEU 117 N -1.00 0.00 -2.69 0.00 -0.00 -1.88 -1.75 115.31 107.98 2kmg h LEU 117 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2kmg h LEU 117 Cb 0.71 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.37 2kmg h LEU 117 CO -0.01 0.00 -0.01 0.40 -0.00 0.00 0.00 178.44 178.82 2kmg h ILE 118 N 0.00 0.13 -0.75 0.15 1.08 -1.82 -2.65 117.51 113.66 2kmg h ILE 118 Ca 0.00 -0.08 0.17 0.00 -0.39 0.00 0.00 64.86 64.56 2kmg h ILE 118 Cb 0.17 1.07 -0.12 0.00 -3.07 0.00 0.00 36.82 34.87 2kmg h ILE 118 CO 0.00 0.01 0.12 0.44 -0.69 0.00 0.00 178.15 178.03 2kmg h ASP 119 N 0.00 -0.11 -0.97 1.72 5.19 -1.54 0.16 116.42 120.87 2kmg h ASP 119 Ca -0.00 0.17 0.05 0.00 -0.62 0.00 0.00 57.03 56.62 2kmg h ASP 119 Cb 0.07 0.25 -0.06 0.00 0.18 0.00 0.00 39.33 39.77 2kmg h ASP 119 CO 0.00 -0.10 0.62 0.03 -3.12 0.00 0.00 179.24 176.68 2kmg h ARG 120 N 0.20 1.14 0.16 3.56 -0.00 -1.72 -2.64 114.38 115.08 2kmg h ARG 120 Ca 0.42 -0.07 0.02 0.00 -0.50 0.00 0.00 59.98 59.85 2kmg h ARG 120 Cb 0.75 -0.26 -0.04 0.00 0.00 0.00 0.00 29.97 30.42 2kmg h ARG 120 CO -0.57 0.76 -0.33 -0.92 0.00 0.00 0.00 179.97 178.90 2kmg h TYR 121 N 1.18 -0.91 -0.43 3.04 5.03 -0.86 -0.94 116.97 123.08 2kmg h TYR 121 Ca 0.40 0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.85 2kmg h TYR 121 Cb 0.07 0.38 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 2kmg h TYR 121 CO -0.01 -0.45 0.31 0.45 -1.32 0.00 0.00 178.16 177.14 2kmg h HIS 122 N -0.58 0.03 0.52 -3.82 3.86 -1.24 -0.15 115.15 113.77 2kmg h HIS 122 Ca 0.02 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 2kmg h HIS 122 Cb 0.60 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 29.06 2kmg h HIS 122 CO -0.28 0.01 -0.25 0.74 0.86 0.00 0.00 177.93 179.01 2kmg h PHE 123 N 0.03 -0.65 0.01 2.45 0.04 -0.86 -2.85 116.94 115.09 2kmg h PHE 123 Ca 0.20 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.96 2kmg h PHE 123 Cb 0.78 0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.13 2kmg h PHE 123 CO -0.00 -0.34 -0.04 1.25 -0.60 0.00 0.00 178.31 178.58 2kmg h LEU 124 N -1.09 -0.11 -1.27 1.54 5.85 -0.87 -2.27 115.31 117.08 2kmg h LEU 124 Ca -0.07 0.02 0.33 0.00 0.84 0.00 0.00 57.88 58.99 2kmg h LEU 124 Cb 0.60 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.56 2kmg h LEU 124 CO 0.12 -0.06 0.69 -0.09 -0.34 0.00 0.00 178.44 178.76 2kmg h ARG 125 N -0.07 0.29 -0.31 1.25 2.43 -1.12 0.39 114.38 117.24 2kmg h ARG 125 Ca 0.01 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2kmg h ARG 125 Cb 0.09 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2kmg h ARG 125 CO -0.04 0.19 -0.19 0.78 -1.51 0.00 0.00 179.97 179.20 2kmg h GLY 126 N 0.30 0.61 2.00 2.80 0.00 -1.16 -2.73 103.07 104.90 2kmg h GLY 126 Ca 0.70 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 47.46 2kmg h GLY 126 CO -0.42 0.44 -0.42 -2.75 0.00 0.00 0.00 176.54 173.39 2kmg h PHE 127 N 0.51 0.00 0.00 5.60 3.57 -0.16 -2.42 116.94 124.03 2kmg h PHE 127 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2kmg h PHE 127 Cb 0.62 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2kmg h PHE 127 CO 0.02 0.42 0.00 0.00 -2.23 0.00 0.00 178.31 176.53 2kmg h ALA 128 N 1.58 1.00 0.00 2.41 0.00 -1.12 -1.09 119.26 122.03 2kmg h ALA 128 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2kmg h ALA 128 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2kmg h ALA 128 CO 0.06 0.00 -0.49 0.00 0.00 0.00 0.00 179.25 178.82 2kmg h ALA 129 N 2.01 0.75 -0.00 0.00 0.00 -1.49 -3.10 119.26 117.42 2kmg h ALA 129 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kmg h ALA 129 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kmg h ALA 129 CO 0.00 0.61 -0.15 0.41 0.00 0.00 0.00 179.25 180.12 2kmg n GLY 130 N 0.94 -1.30 3.81 0.00 0.00 -0.42 -4.76 105.19 103.46 2kmg n GLY 130 Ca 0.01 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.85 3.22 0.40 1.61 3.76 -1.17 -4.95 115.29 115.30 2kmg s HIS 131 Ca 0.18 1.59 0.34 0.00 -0.15 0.00 0.00 55.06 57.02 2kmg s HIS 131 Cb 0.19 -2.91 1.72 0.00 1.11 0.00 0.00 32.58 32.68 2kmg s HIS 131 CO 0.56 -0.37 2.14 -1.00 -0.85 0.00 0.00 174.74 175.21 2kmg h PRO 132 N 1.68 0.00 -0.47 8.40 0.13 -1.89 -1.31 132.00 138.54 2kmg h PRO 132 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kmg h PRO 132 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kmg h PRO 132 CO 0.60 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 178.81 2kmg n GLU 133 N -3.31 3.75 -0.32 0.86 1.02 -1.26 -4.67 120.64 116.71 2kmg n GLU 133 Ca -0.01 -2.88 0.07 0.00 -0.02 0.00 0.00 57.16 54.32 2kmg n GLU 133 Cb 0.21 -1.93 0.17 0.00 -0.02 0.00 0.00 31.44 29.87 2kmg n GLU 133 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kmg h ALA 134 N 3.12 0.78 -0.66 0.62 0.00 -1.34 0.34 119.26 122.13 2kmg h ALA 134 Ca 0.00 0.34 0.13 0.00 0.00 0.00 0.00 54.91 55.38 2kmg h ALA 134 Cb 1.54 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 19.87 2kmg h ALA 134 CO 0.29 -0.44 0.15 0.00 0.00 0.00 0.00 179.25 179.24 2kmg h ALA 135 N 1.90 0.81 -0.14 0.00 0.00 -1.84 0.57 119.26 120.56 2kmg h ALA 135 Ca 0.48 0.14 -0.21 0.00 0.00 0.00 0.00 54.91 55.32 2kmg h ALA 135 Cb 0.83 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kmg h ALA 135 CO -0.90 -0.31 -0.74 0.00 0.00 0.00 0.00 179.25 177.30 2kmg h ALA 136 N 1.53 0.42 0.16 0.00 0.00 -0.78 -3.00 119.26 117.58 2kmg h ALA 136 Ca 0.35 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2kmg h ALA 136 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kmg h ALA 136 CO -0.44 0.71 -0.08 0.82 0.00 0.00 0.00 179.25 180.26 2kmg h ILE 137 N 0.47 0.97 -0.42 0.00 2.04 -0.21 -0.71 117.51 119.65 2kmg h ILE 137 Ca -0.04 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.07 2kmg h ILE 137 Cb 1.35 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 2kmg h ILE 137 CO 0.15 0.16 -0.03 0.10 0.00 0.00 0.00 178.15 178.53 2kmg h TYR 138 N -0.55 0.73 -0.00 1.37 -0.00 -1.04 -2.15 116.97 115.32 2kmg h TYR 138 Ca -0.02 -0.10 -0.15 0.00 -0.00 0.00 0.00 58.73 58.46 2kmg h TYR 138 Cb 0.42 -0.20 -0.02 0.00 -0.00 0.00 0.00 36.73 36.93 2kmg h TYR 138 CO 0.03 0.71 -0.69 0.07 -0.00 0.00 0.00 178.16 178.28 2kmg h ARG 139 N 0.65 0.03 -0.31 0.10 0.11 -1.56 -0.20 114.38 113.20 2kmg h ARG 139 Ca 0.13 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 60.12 2kmg h ARG 139 Cb 0.44 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.51 2kmg h ARG 139 CO 0.02 0.71 -0.08 0.00 0.10 0.00 0.00 179.97 180.72 2kmg h ALA 140 N 1.29 1.30 0.00 0.08 0.00 -0.51 -2.54 119.26 118.88 2kmg h ALA 140 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2kmg h ALA 140 Cb 1.22 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2kmg h ALA 140 CO 0.09 0.47 -0.93 0.44 0.00 0.00 0.00 179.25 179.32 2kmg n ILE 141 N -4.24 0.13 0.76 0.00 -5.35 -0.90 -4.43 119.36 105.33 2kmg n ILE 141 Ca 0.01 -0.18 0.06 0.00 -0.27 0.00 0.00 62.75 62.37 2kmg n ILE 141 Cb 0.29 0.29 0.36 0.00 -1.74 0.00 0.00 39.64 38.85 2kmg n ILE 141 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12