#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm h ARG 3 N 0.00 0.00 0.00 0.00 2.43 -2.07 -3.41 114.38 111.33 1ibm h ARG 3 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ibm h ARG 3 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ibm h ARG 3 CO 0.00 0.37 0.00 0.54 -1.51 0.00 0.00 179.97 179.37 1ibm n ARG 4 N -3.29 0.00 0.00 0.20 5.12 -1.26 -5.02 116.66 112.41 1ibm n ARG 4 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1ibm n ARG 4 Cb 0.61 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 1ibm n ARG 4 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1ibm n ARG 5 N 0.00 0.77 -2.69 5.56 3.00 -1.26 -4.99 116.66 117.05 1ibm n ARG 5 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 1ibm n ARG 5 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 1ibm n ARG 5 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1ibm n ARG 6 N -0.21 3.40 0.00 -0.14 0.63 -1.26 -4.93 116.66 114.15 1ibm n ARG 6 Ca 0.00 -4.65 0.00 0.00 -0.92 0.00 0.00 57.85 52.28 1ibm n ARG 6 Cb 0.00 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 30.66 1ibm n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ibm n ALA 7 N -0.36 -0.01 -1.21 5.13 0.00 -1.26 -4.81 120.51 118.00 1ibm n ALA 7 Ca 0.36 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 1ibm n ALA 7 Cb 0.50 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.06 1ibm n ALA 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ibm s GLU 8 N 0.00 1.86 -0.16 0.00 4.04 -1.26 -4.92 118.70 118.25 1ibm s GLU 8 Ca 0.00 1.72 -0.29 0.00 0.04 0.00 0.00 54.97 56.44 1ibm s GLU 8 Cb 0.00 -1.80 -0.02 0.00 0.02 0.00 0.00 34.13 32.32 1ibm s GLU 8 CO 0.00 -2.04 1.43 0.08 -1.84 0.00 0.00 175.26 172.89 1ibm s VAL 9 N -2.13 3.98 -0.47 1.83 1.01 -1.26 -4.93 120.40 118.43 1ibm s VAL 9 Ca 0.73 1.17 -0.27 0.00 0.00 0.00 0.00 61.98 63.61 1ibm s VAL 9 Cb -0.28 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1ibm s VAL 9 CO 0.49 -0.18 2.04 -0.60 0.00 0.00 0.00 175.10 176.85 1ibm s ARG 10 N 3.92 2.69 0.75 2.72 3.52 -1.26 -4.96 118.95 126.32 1ibm s ARG 10 Ca 0.63 1.19 -0.11 0.00 -0.13 0.00 0.00 55.73 57.30 1ibm s ARG 10 Cb -0.25 -4.40 0.04 0.00 -1.56 0.00 0.00 34.95 28.79 1ibm s ARG 10 CO 0.22 -2.62 1.09 -0.65 -0.81 0.00 0.00 175.30 172.53 1ibm s GLN 11 N 7.00 2.41 0.10 5.12 -1.52 -1.26 -5.07 119.66 126.43 1ibm s GLN 11 Ca 0.83 1.17 0.05 0.00 -1.95 0.00 0.00 55.36 55.46 1ibm s GLN 11 Cb -0.18 -1.91 -0.03 0.00 -0.22 0.00 0.00 33.01 30.66 1ibm s GLN 11 CO 0.27 -1.53 -0.13 -0.51 -0.25 0.00 0.00 175.29 173.14 1ibm s LEU 12 N -5.73 2.36 0.25 2.90 1.02 -1.26 -5.12 118.68 113.10 1ibm s LEU 12 Ca 0.62 -0.74 -0.30 0.00 0.02 0.00 0.00 54.13 53.72 1ibm s LEU 12 Cb -0.17 -0.48 -0.10 0.00 0.02 0.00 0.00 46.19 45.46 1ibm s LEU 12 CO 0.54 -0.15 1.36 -1.10 0.02 0.00 0.00 176.35 177.02 1ibm s GLN 13 N -2.38 4.34 0.07 1.70 -1.52 -1.26 -4.92 119.66 115.69 1ibm s GLN 13 Ca 0.04 2.19 -0.01 0.00 -1.95 0.00 0.00 55.36 55.63 1ibm s GLN 13 Cb -0.06 -3.13 0.02 0.00 -0.22 0.00 0.00 33.01 29.61 1ibm s GLN 13 CO 0.02 -0.29 0.04 -0.35 -0.25 0.00 0.00 175.29 174.45 1ibm n PRO 14 N 2.04 -0.94 -3.69 2.91 -0.04 -1.26 -4.81 135.00 129.21 1ibm n PRO 14 Ca 0.05 -0.06 -0.37 0.00 -0.04 0.00 0.00 63.50 63.08 1ibm n PRO 14 Cb 0.42 -0.10 -0.06 0.00 -0.04 0.00 0.00 33.50 33.72 1ibm n PRO 14 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ibm s ASP 15 N -1.75 6.52 0.00 3.54 2.15 -1.17 -4.86 116.67 121.10 1ibm s ASP 15 Ca 0.03 0.62 0.03 0.00 0.43 0.00 0.00 52.55 53.66 1ibm s ASP 15 Cb -0.00 -2.15 0.18 0.00 -0.30 0.00 0.00 42.92 40.65 1ibm s ASP 15 CO 0.02 0.32 0.54 0.18 -0.17 0.00 0.00 175.17 176.06 1ibm n LEU 16 N 2.28 0.00 0.03 -1.34 7.99 -1.26 -1.38 117.00 123.32 1ibm n LEU 16 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 1ibm n LEU 16 Cb 0.53 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.84 1ibm n LEU 16 CO 0.35 0.00 0.00 0.52 -1.51 0.00 0.00 177.39 176.75 1ibm n VAL 17 N -0.65 0.07 0.04 4.08 0.31 -1.26 -4.91 118.33 116.01 1ibm n VAL 17 Ca 0.02 0.02 -0.04 0.00 -0.01 0.00 0.00 64.34 64.34 1ibm n VAL 17 Cb 0.01 -0.34 -0.09 0.00 -0.91 0.00 0.00 33.84 32.51 1ibm n VAL 17 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1ibm h TYR 18 N 0.00 0.00 0.00 3.52 -1.99 -2.00 -3.48 116.97 113.02 1ibm h TYR 18 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ibm h TYR 18 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1ibm h TYR 18 CO 0.00 0.78 0.00 0.41 -0.00 0.00 0.00 178.16 179.35 1ibm n GLY 19 N 1.40 1.81 3.68 3.88 0.00 -0.48 -4.86 105.19 110.62 1ibm n GLY 19 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1ibm n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ibm s ASP 20 N -3.39 6.79 0.23 1.61 -1.08 -1.26 -3.04 116.67 116.53 1ibm s ASP 20 Ca 0.00 0.96 -0.07 0.00 -0.52 0.00 0.00 52.55 52.92 1ibm s ASP 20 Cb 0.00 -2.37 0.41 0.00 -1.46 0.00 0.00 42.92 39.50 1ibm s ASP 20 CO 0.00 -0.22 1.68 -0.37 0.52 0.00 0.00 175.17 176.78 1ibm h VAL 21 N 5.03 0.52 -0.99 1.11 -1.51 -1.89 -1.75 116.25 116.77 1ibm h VAL 21 Ca -0.35 -0.08 0.34 0.00 -1.23 0.00 0.00 66.70 65.38 1ibm h VAL 21 Cb 1.16 0.26 -0.16 0.00 -2.13 0.00 0.00 31.29 30.42 1ibm h VAL 21 CO 0.77 0.04 0.50 0.25 -1.23 0.00 0.00 177.57 177.91 1ibm h LEU 22 N 0.23 0.37 0.26 4.19 5.85 -1.96 0.68 115.31 124.93 1ibm h LEU 22 Ca 0.39 0.21 0.00 0.00 0.84 0.00 0.00 57.88 59.32 1ibm h LEU 22 Cb 0.65 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1ibm h LEU 22 CO -0.51 -0.22 -0.25 0.58 -0.34 0.00 0.00 178.44 177.69 1ibm h VAL 23 N 0.22 0.46 -0.09 1.05 2.07 -1.73 0.12 116.25 118.35 1ibm h VAL 23 Ca 0.74 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.29 1ibm h VAL 23 Cb 1.74 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 1ibm h VAL 23 CO -0.67 0.00 -0.54 0.74 0.02 0.00 0.00 177.57 177.12 1ibm h THR 24 N -0.55 0.00 -0.99 2.57 2.02 0.18 1.13 112.91 117.27 1ibm h THR 24 Ca -0.01 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.36 1ibm h THR 24 Cb 0.50 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.73 1ibm h THR 24 CO -0.05 0.00 -0.28 0.00 0.37 0.00 0.00 175.52 175.56 1ibm h ALA 25 N -0.33 0.55 -0.12 6.16 0.00 -0.57 0.53 119.26 125.48 1ibm h ALA 25 Ca 0.03 0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1ibm h ALA 25 Cb 0.70 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1ibm h ALA 25 CO -0.41 -0.43 0.03 0.35 0.00 0.00 0.00 179.25 178.79 1ibm h PHE 26 N -0.00 0.19 0.00 0.00 3.57 0.17 -2.27 116.94 118.60 1ibm h PHE 26 Ca 0.45 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.93 1ibm h PHE 26 Cb 0.70 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1ibm h PHE 26 CO -0.79 0.33 0.06 0.82 -2.23 0.00 0.00 178.31 176.51 1ibm h ILE 27 N -0.00 0.00 0.00 1.41 2.04 0.59 -1.77 117.51 119.78 1ibm h ILE 27 Ca 0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1ibm h ILE 27 Cb 0.23 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1ibm h ILE 27 CO -0.00 0.00 -0.20 0.78 0.00 0.00 0.00 178.15 178.72 1ibm h ASN 28 N 0.00 0.00 -0.05 1.72 2.35 -0.07 -2.83 115.58 116.69 1ibm h ASN 28 Ca 0.00 -0.76 0.02 0.00 -0.55 0.00 0.00 56.30 55.01 1ibm h ASN 28 Cb 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1ibm h ASN 28 CO 0.00 1.00 0.20 0.11 -1.65 0.00 0.00 177.43 177.08 1ibm h LYS 29 N -1.00 0.00 0.21 0.81 1.79 -1.00 0.51 116.57 117.89 1ibm h LYS 29 Ca -0.05 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.09 1ibm h LYS 29 Cb 0.89 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.58 1ibm h LYS 29 CO -0.03 0.00 -1.41 0.82 -1.08 0.00 0.00 179.45 177.75 1ibm h ILE 30 N 0.00 1.30 -4.24 1.86 2.04 -1.42 -3.46 117.51 113.58 1ibm h ILE 30 Ca 0.02 -2.68 -0.52 0.00 1.00 0.00 0.00 64.86 62.69 1ibm h ILE 30 Cb 0.42 2.95 0.19 0.00 -0.74 0.00 0.00 36.82 39.64 1ibm h ILE 30 CO -0.00 0.80 0.22 -0.32 0.00 0.00 0.00 178.15 178.86 1ibm s MET 31 N -2.70 1.05 -0.28 2.37 1.75 0.18 -4.94 119.30 116.73 1ibm s MET 31 Ca -0.09 1.50 -0.23 0.00 -1.25 0.00 0.00 55.69 55.63 1ibm s MET 31 Cb 0.05 -1.73 0.09 0.00 2.84 0.00 0.00 34.83 36.08 1ibm s MET 31 CO 0.94 -2.60 0.83 -0.98 -0.65 0.00 0.00 175.02 172.57 1ibm s ARG 32 N -4.66 0.67 -1.14 4.11 1.70 -1.26 -4.89 118.95 113.47 1ibm s ARG 32 Ca 0.66 0.88 0.00 0.00 -0.47 0.00 0.00 55.73 56.81 1ibm s ARG 32 Cb -0.22 0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 1ibm s ARG 32 CO 0.58 -0.09 0.00 -0.25 -1.08 0.00 0.00 175.30 174.46 1ibm n ASP 33 N 2.91 -4.16 -1.27 -2.89 8.00 -1.26 -3.08 116.55 114.79 1ibm n ASP 33 Ca -0.15 0.19 -0.17 0.00 0.71 0.00 0.00 54.79 55.37 1ibm n ASP 33 Cb 0.56 -2.90 -0.07 0.00 -0.02 0.00 0.00 41.12 38.69 1ibm n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ibm n GLY 34 N -1.40 1.62 2.60 0.44 0.00 -1.26 -4.87 105.19 102.32 1ibm n GLY 34 Ca -0.12 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1ibm n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ibm n LYS 35 N -2.10 3.59 0.29 1.61 5.02 -1.18 -4.75 118.16 120.63 1ibm n LYS 35 Ca -0.17 -2.86 0.13 0.00 -2.02 0.00 0.00 58.31 53.39 1ibm n LYS 35 Cb 0.60 -2.95 0.60 0.00 -0.02 0.00 0.00 35.03 33.26 1ibm n LYS 35 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1ibm h LYS 36 N 5.40 0.00 0.00 1.97 3.64 -1.89 -2.34 116.57 123.35 1ibm h LYS 36 Ca 0.64 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 60.01 1ibm h LYS 36 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1ibm h LYS 36 CO 1.73 0.00 -0.12 -0.97 -2.27 0.00 0.00 179.45 177.81 1ibm h ASN 37 N 0.00 0.00 0.00 4.20 -0.00 -1.98 -2.43 115.58 115.37 1ibm h ASN 37 Ca 0.04 -0.22 0.00 0.00 -0.00 0.00 0.00 56.30 56.12 1ibm h ASN 37 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.44 1ibm h ASN 37 CO -0.00 0.68 0.71 0.25 -0.00 0.00 0.00 177.43 179.07 1ibm h LEU 38 N -1.00 0.00 0.06 0.34 5.85 -1.84 1.15 115.31 119.87 1ibm h LEU 38 Ca -0.02 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.45 1ibm h LEU 38 Cb 0.32 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1ibm h LEU 38 CO -0.01 0.00 -1.39 0.00 -0.34 0.00 0.00 178.44 176.70 1ibm h ALA 39 N 0.56 0.27 -0.18 1.25 0.00 -1.56 -3.17 119.26 116.44 1ibm h ALA 39 Ca 0.00 -1.18 0.05 0.00 0.00 0.00 0.00 54.91 53.78 1ibm h ALA 39 Cb 1.42 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 19.79 1ibm h ALA 39 CO 0.00 0.83 -0.18 0.00 0.00 0.00 0.00 179.25 179.90 1ibm h ALA 40 N -0.24 -0.08 -1.55 0.00 0.00 0.18 -0.55 119.26 117.02 1ibm h ALA 40 Ca -0.34 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ibm h ALA 40 Cb 1.56 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1ibm h ALA 40 CO -0.07 -0.62 0.00 0.54 0.00 0.00 0.00 179.25 179.10 1ibm n ARG 41 N -5.33 0.00 -0.19 0.00 1.74 0.19 -1.76 116.66 111.31 1ibm n ARG 41 Ca -0.02 0.43 -0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1ibm n ARG 41 Cb 0.24 -1.24 0.02 0.00 -1.02 0.00 0.00 32.46 30.47 1ibm n ARG 41 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ibm n ILE 42 N -1.51 -0.25 -0.28 0.55 5.41 -1.07 0.19 119.36 122.40 1ibm n ILE 42 Ca 0.00 1.13 -0.05 0.00 1.00 0.00 0.00 62.75 64.83 1ibm n ILE 42 Cb 0.00 -1.50 0.06 0.00 -0.71 0.00 0.00 39.64 37.49 1ibm n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1ibm h PHE 43 N 0.00 1.03 -0.02 1.39 3.57 -0.92 -1.17 116.94 120.81 1ibm h PHE 43 Ca 0.17 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1ibm h PHE 43 Cb 0.29 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 1ibm h PHE 43 CO -0.42 0.71 -0.04 1.88 -2.23 0.00 0.00 178.31 178.21 1ibm h TYR 44 N 1.05 0.09 -0.39 0.41 0.99 0.29 0.98 116.97 120.39 1ibm h TYR 44 Ca 0.27 -0.03 0.11 0.00 2.00 0.00 0.00 58.73 61.09 1ibm h TYR 44 Cb 0.00 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 37.70 1ibm h TYR 44 CO -0.00 0.60 0.30 -0.44 -0.00 0.00 0.00 178.16 178.61 1ibm h ASP 45 N -0.45 0.00 -0.06 3.88 3.32 -0.59 0.55 116.42 123.07 1ibm h ASP 45 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1ibm h ASP 45 Cb 0.59 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.15 1ibm h ASP 45 CO 0.01 0.00 -0.66 0.00 -1.72 0.00 0.00 179.24 176.87 1ibm h ALA 46 N 1.77 0.16 -0.30 3.45 0.00 -1.00 -3.09 119.26 120.24 1ibm h ALA 46 Ca 0.19 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1ibm h ALA 46 Cb 0.78 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1ibm h ALA 46 CO -0.00 0.46 0.07 0.00 0.00 0.00 0.00 179.25 179.78 1ibm n LYS 48 N -4.37 1.47 -0.01 0.00 4.76 0.14 -2.73 118.16 117.42 1ibm n LYS 48 Ca 0.01 -0.44 -0.01 0.00 -2.87 0.00 0.00 58.31 55.01 1ibm n LYS 48 Cb 0.17 -1.44 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 1ibm n LYS 48 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1ibm n ILE 49 N 0.00 0.09 0.21 -0.18 5.41 -0.14 -4.27 119.36 120.48 1ibm n ILE 49 Ca 0.04 -0.05 0.03 0.00 1.00 0.00 0.00 62.75 63.77 1ibm n ILE 49 Cb 0.29 -0.83 0.12 0.00 -0.71 0.00 0.00 39.64 38.51 1ibm n ILE 49 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1ibm n ILE 50 N -2.21 1.48 0.00 1.39 5.41 -0.88 -2.75 119.36 121.79 1ibm n ILE 50 Ca -0.02 0.37 0.00 0.00 1.00 0.00 0.00 62.75 64.09 1ibm n ILE 50 Cb 0.54 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 1ibm n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ibm n GLN 51 N -1.46 0.00 0.00 0.38 1.13 -1.23 -2.67 117.38 113.53 1ibm n GLN 51 Ca 0.02 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1ibm n GLN 51 Cb 0.06 -0.59 0.00 0.00 0.11 0.00 0.00 30.24 29.82 1ibm n GLN 51 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1ibm n GLU 52 N -1.77 0.00 0.00 -1.09 1.02 -1.17 0.48 120.64 118.11 1ibm n GLU 52 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ibm n GLU 52 Cb 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1ibm n GLU 52 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ibm n LYS 53 N -0.24 0.00 -3.68 3.49 5.02 -1.11 -5.08 118.16 116.56 1ibm n LYS 53 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1ibm n LYS 53 Cb 0.00 -0.35 -0.08 0.00 -0.02 0.00 0.00 35.03 34.58 1ibm n LYS 53 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ibm s THR 54 N 0.00 0.02 -0.88 -0.18 2.01 0.18 -5.04 115.64 111.74 1ibm s THR 54 Ca 0.00 -0.13 0.27 0.00 0.31 0.00 0.00 61.69 62.14 1ibm s THR 54 Cb 0.00 -0.74 0.21 0.00 0.01 0.00 0.00 72.50 71.98 1ibm s THR 54 CO 0.00 -0.07 1.76 0.61 -0.69 0.00 0.00 174.62 176.23 1ibm n GLY 55 N 1.98 -1.53 3.82 4.40 0.00 -1.26 -4.19 105.19 108.42 1ibm n GLY 55 Ca -0.17 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1ibm n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ibm s GLN 56 N -3.05 3.51 0.48 1.61 -0.21 -1.26 -5.00 119.66 115.74 1ibm s GLN 56 Ca 0.12 1.07 -0.23 0.00 0.02 0.00 0.00 55.36 56.33 1ibm s GLN 56 Cb 0.16 -2.07 -0.07 0.00 1.00 0.00 0.00 33.01 32.04 1ibm s GLN 56 CO 0.59 -0.64 1.30 -1.21 -2.12 0.00 0.00 175.29 173.21 1ibm s GLU 57 N -4.23 3.55 0.07 2.91 8.01 -1.26 -4.69 118.70 123.06 1ibm s GLU 57 Ca 0.61 2.11 -0.28 0.00 0.01 0.00 0.00 54.97 57.43 1ibm s GLU 57 Cb -0.13 -2.45 -0.13 0.00 -4.31 0.00 0.00 34.13 27.10 1ibm s GLU 57 CO 0.38 -0.82 1.43 -1.00 0.01 0.00 0.00 175.26 175.26 1ibm h PRO 58 N 1.98 -0.70 -0.11 0.39 0.13 -1.88 -3.14 132.00 128.68 1ibm h PRO 58 Ca -0.50 0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1ibm h PRO 58 Cb 1.27 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.55 1ibm h PRO 58 CO 0.60 -0.47 -0.06 -0.11 -0.23 0.00 0.00 178.00 177.73 1ibm n LEU 59 N -4.80 -0.11 -0.33 1.56 7.94 -1.26 0.16 117.00 120.16 1ibm n LEU 59 Ca -0.09 0.76 0.24 0.00 -1.11 0.00 0.00 56.01 55.81 1ibm n LEU 59 Cb 0.35 -0.31 0.47 0.00 0.53 0.00 0.00 43.42 44.47 1ibm n LEU 59 CO 0.18 -0.44 1.11 0.50 -1.11 0.00 0.00 177.39 177.64 1ibm h LYS 60 N 0.00 0.31 0.65 1.96 3.64 -1.96 0.52 116.57 121.70 1ibm h LYS 60 Ca 0.02 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1ibm h LYS 60 Cb 0.04 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1ibm h LYS 60 CO -0.10 0.20 -0.31 0.28 -2.27 0.00 0.00 179.45 177.25 1ibm h VAL 61 N 0.32 0.35 -0.02 2.00 2.07 -0.23 0.19 116.25 120.92 1ibm h VAL 61 Ca 0.73 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 68.21 1ibm h VAL 61 Cb 1.68 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1ibm h VAL 61 CO -0.61 0.01 -0.05 0.15 0.02 0.00 0.00 177.57 177.09 1ibm h PHE 62 N -0.91 -0.14 0.00 1.57 3.57 0.64 0.53 116.94 122.20 1ibm h PHE 62 Ca -0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1ibm h PHE 62 Cb 0.68 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1ibm h PHE 62 CO -0.02 -0.04 0.44 0.87 -2.23 0.00 0.00 178.31 177.32 1ibm h LYS 63 N -0.04 0.00 0.03 1.11 1.57 -0.70 0.45 116.57 118.98 1ibm h LYS 63 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ibm h LYS 63 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1ibm h LYS 63 CO -0.04 0.00 -0.01 0.37 -0.57 0.00 0.00 179.45 179.19 1ibm h GLN 64 N 0.00 -0.04 0.01 3.15 5.75 0.31 -3.21 115.11 121.08 1ibm h GLN 64 Ca 0.00 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1ibm h GLN 64 Cb 0.88 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.40 1ibm h GLN 64 CO 0.00 0.65 -0.22 0.00 -2.65 0.00 0.00 178.83 176.61 1ibm h ALA 65 N -0.15 -0.29 -0.82 3.38 0.00 0.32 -2.40 119.26 119.29 1ibm h ALA 65 Ca -0.00 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.09 1ibm h ALA 65 Cb 0.71 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 1ibm h ALA 65 CO 0.01 -0.72 -0.06 0.28 0.00 0.00 0.00 179.25 178.76 1ibm h VAL 66 N -0.35 0.24 0.00 0.00 2.07 -1.38 0.62 116.25 117.44 1ibm h VAL 66 Ca 0.06 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1ibm h VAL 66 Cb 0.43 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1ibm h VAL 66 CO -0.19 0.01 -0.00 -0.08 0.02 0.00 0.00 177.57 177.32 1ibm h GLU 67 N 0.06 0.00 0.00 1.57 4.57 -1.43 -2.38 114.58 116.96 1ibm h GLU 67 Ca 0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 1ibm h GLU 67 Cb 0.77 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1ibm h GLU 67 CO -0.76 0.00 -0.87 0.09 -1.18 0.00 0.00 179.01 176.29 1ibm n ASN 68 N -3.11 0.79 -0.46 1.04 3.02 0.21 -4.04 115.26 112.71 1ibm n ASN 68 Ca -0.02 -0.67 0.11 0.00 -0.03 0.00 0.00 54.58 53.97 1ibm n ASN 68 Cb 0.14 0.78 0.02 0.00 -0.61 0.00 0.00 39.78 40.10 1ibm n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1ibm n VAL 69 N -1.56 0.00 -2.73 2.41 0.31 -0.86 -4.81 118.33 111.09 1ibm n VAL 69 Ca 0.04 -0.24 -0.43 0.00 -0.01 0.00 0.00 64.34 63.71 1ibm n VAL 69 Cb 0.35 1.18 -0.03 0.00 -0.91 0.00 0.00 33.84 34.42 1ibm n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ibm s LYS 70 N -2.50 3.96 0.15 5.55 1.02 -1.15 -4.32 119.74 122.44 1ibm s LYS 70 Ca 0.18 0.83 -0.30 0.00 0.02 0.00 0.00 55.97 56.70 1ibm s LYS 70 Cb 0.18 -3.77 -0.07 0.00 -0.52 0.00 0.00 37.83 33.65 1ibm s LYS 70 CO 0.58 -0.92 1.11 -1.25 -0.92 0.00 0.00 175.35 173.95 1ibm s PRO 71 N 3.56 4.57 0.01 -1.68 0.04 -1.26 -4.97 135.00 135.26 1ibm s PRO 71 Ca 0.42 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 63.00 1ibm s PRO 71 Cb -0.12 -3.30 -0.35 0.00 0.04 0.00 0.00 34.50 30.77 1ibm s PRO 71 CO 0.17 0.01 0.95 0.00 0.04 0.00 0.00 177.00 178.17 1ibm h ARG 72 N 5.47 0.50 -5.44 4.56 3.08 -1.94 -3.43 114.38 117.18 1ibm h ARG 72 Ca -0.44 -0.85 -0.59 0.00 0.07 0.00 0.00 59.98 58.18 1ibm h ARG 72 Cb 1.21 0.32 -0.13 0.00 0.08 0.00 0.00 29.97 31.45 1ibm h ARG 72 CO 0.74 1.41 -0.59 -1.64 -1.07 0.00 0.00 179.97 178.82 1ibm s MET 73 N -2.57 1.90 0.10 0.04 -1.94 -1.26 -1.20 119.30 114.37 1ibm s MET 73 Ca -0.10 -2.09 -0.27 0.00 -1.71 0.00 0.00 55.69 51.52 1ibm s MET 73 Cb 0.04 -1.34 0.08 0.00 2.01 0.00 0.00 34.83 35.62 1ibm s MET 73 CO 0.92 -0.15 1.05 -1.83 -0.01 0.00 0.00 175.02 175.00 1ibm s GLU 74 N -3.78 0.96 0.01 2.03 -1.05 -0.96 -4.25 118.70 111.65 1ibm s GLU 74 Ca 0.31 -0.52 0.05 0.00 -0.15 0.00 0.00 54.97 54.66 1ibm s GLU 74 Cb 0.08 0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 1ibm s GLU 74 CO 0.15 -0.44 -0.13 0.14 0.95 0.00 0.00 175.26 175.94 1ibm s VAL 75 N -3.03 3.18 -0.05 1.83 -7.23 -1.25 -1.48 120.40 112.36 1ibm s VAL 75 Ca 0.13 -0.96 -0.01 0.00 -1.81 0.00 0.00 61.98 59.33 1ibm s VAL 75 Cb 0.00 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.62 1ibm s VAL 75 CO 0.00 0.39 -0.00 -0.13 -0.31 0.00 0.00 175.10 175.05 1ibm s ARG 76 N -1.35 0.53 1.15 4.82 0.52 0.35 -4.88 118.95 120.10 1ibm s ARG 76 Ca 0.15 0.08 -0.17 0.00 -0.52 0.00 0.00 55.73 55.27 1ibm s ARG 76 Cb -0.11 -0.81 0.17 0.00 0.52 0.00 0.00 34.95 34.72 1ibm s ARG 76 CO 0.06 -0.23 0.27 0.45 0.02 0.00 0.00 175.30 175.88 1ibm n SER 77 N 4.73 -2.37 -3.60 0.23 2.88 -1.26 -1.69 113.62 112.54 1ibm n SER 77 Ca -0.14 -0.20 -0.13 0.00 -1.33 0.00 0.00 58.87 57.06 1ibm n SER 77 Cb 0.50 -1.01 -0.07 0.00 -0.75 0.00 0.00 64.21 62.89 1ibm n SER 77 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1ibm s ARG 78 N -3.71 0.79 -1.28 -1.46 3.52 -1.25 -4.69 118.95 110.85 1ibm s ARG 78 Ca 0.58 0.66 -0.11 0.00 -0.13 0.00 0.00 55.73 56.73 1ibm s ARG 78 Cb -0.15 0.38 0.15 0.00 -1.56 0.00 0.00 34.95 33.77 1ibm s ARG 78 CO 0.64 -0.15 1.80 0.54 -0.81 0.00 0.00 175.30 177.32 1ibm n ARG 79 N 1.99 3.47 -2.90 5.12 5.12 -1.26 -2.36 116.66 125.83 1ibm n ARG 79 Ca -0.14 -3.50 -0.44 0.00 -1.93 0.00 0.00 57.85 51.84 1ibm n ARG 79 Cb 0.56 -3.02 -0.03 0.00 -1.16 0.00 0.00 32.46 28.82 1ibm n ARG 79 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ibm s VAL 80 N 1.12 4.65 -0.47 1.55 1.01 -0.75 -4.20 120.40 123.32 1ibm s VAL 80 Ca 0.42 -1.41 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 1ibm s VAL 80 Cb 0.07 -4.78 -0.00 0.00 0.00 0.00 0.00 36.38 31.66 1ibm s VAL 80 CO -0.00 -1.52 0.39 0.61 0.00 0.00 0.00 175.10 174.58 1ibm n GLY 81 N 5.55 0.11 5.00 4.51 0.00 -1.26 -3.84 105.19 115.26 1ibm n GLY 81 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ibm n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibm n GLY 82 N -1.11 1.27 3.73 -0.02 0.00 -1.26 -4.90 105.19 102.90 1ibm n GLY 82 Ca -0.10 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1ibm n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibm s ALA 83 N 0.00 2.24 -0.17 4.61 0.00 -1.25 -4.84 121.76 122.35 1ibm s ALA 83 Ca 0.00 1.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.92 1ibm s ALA 83 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1ibm s ALA 83 CO 0.00 -1.73 0.07 -0.80 0.00 0.00 0.00 175.76 173.30 1ibm s ASN 84 N -1.72 5.68 -0.33 0.00 0.01 -1.26 -1.81 114.94 115.51 1ibm s ASN 84 Ca 0.78 0.12 0.02 0.00 -0.71 0.00 0.00 52.86 53.08 1ibm s ASN 84 Cb -0.33 -1.94 0.10 0.00 0.41 0.00 0.00 41.25 39.49 1ibm s ASN 84 CO 0.42 0.21 0.06 -0.31 -1.51 0.00 0.00 177.10 175.97 1ibm s TYR 85 N 0.16 3.08 -0.56 2.20 4.12 -1.00 -4.91 117.35 120.44 1ibm s TYR 85 Ca 0.05 -2.56 -0.33 0.00 0.02 0.00 0.00 57.07 54.24 1ibm s TYR 85 Cb -0.12 -2.49 -0.14 0.00 -1.52 0.00 0.00 41.96 37.69 1ibm s TYR 85 CO 0.00 -0.92 2.36 1.04 0.02 0.00 0.00 175.55 178.05 1ibm n GLN 86 N 4.45 0.67 -3.45 -0.62 1.13 -1.26 -3.89 117.38 114.40 1ibm n GLN 86 Ca 0.01 0.12 -0.38 0.00 -1.94 0.00 0.00 57.00 54.82 1ibm n GLN 86 Cb 0.42 -2.29 -0.06 0.00 0.11 0.00 0.00 30.24 28.42 1ibm n GLN 86 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ibm s VAL 87 N 8.53 5.04 0.18 5.09 1.01 -0.68 -4.81 120.40 134.77 1ibm s VAL 87 Ca 1.15 0.88 -0.24 0.00 0.00 0.00 0.00 61.98 63.78 1ibm s VAL 87 Cb -0.91 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 31.65 1ibm s VAL 87 CO 0.47 0.52 0.76 -2.16 0.00 0.00 0.00 175.10 174.69 1ibm s PRO 88 N -0.70 4.47 -0.18 2.72 0.04 -1.26 -0.49 135.00 139.59 1ibm s PRO 88 Ca 0.24 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.05 1ibm s PRO 88 Cb -0.16 -3.14 0.13 0.00 0.04 0.00 0.00 34.50 31.36 1ibm s PRO 88 CO 0.13 0.52 1.03 0.00 0.04 0.00 0.00 177.00 178.71 1ibm s MET 89 N -1.39 0.55 0.52 4.56 0.23 -0.55 -4.81 119.30 118.40 1ibm s MET 89 Ca 0.38 0.18 -0.21 0.00 -1.03 0.00 0.00 55.69 55.01 1ibm s MET 89 Cb -0.21 0.26 -0.08 0.00 -1.53 0.00 0.00 34.83 33.27 1ibm s MET 89 CO 0.24 -0.16 0.89 0.39 -2.03 0.00 0.00 175.02 174.35 1ibm n GLU 90 N 0.88 1.00 -3.73 3.16 1.02 -1.26 -2.26 120.64 119.45 1ibm n GLU 90 Ca -0.10 0.37 -0.37 0.00 -0.02 0.00 0.00 57.16 57.05 1ibm n GLU 90 Cb 0.58 -2.01 -0.07 0.00 -0.02 0.00 0.00 31.44 29.92 1ibm n GLU 90 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ibm s VAL 91 N -1.45 5.38 0.21 2.62 1.01 -0.34 -4.83 120.40 123.00 1ibm s VAL 91 Ca 0.69 0.36 -0.31 0.00 0.00 0.00 0.00 61.98 62.71 1ibm s VAL 91 Cb -0.48 -3.50 -0.15 0.00 0.00 0.00 0.00 36.38 32.25 1ibm s VAL 91 CO 0.53 0.54 1.18 -0.24 0.00 0.00 0.00 175.10 177.11 1ibm n SER 92 N 2.53 1.62 0.27 3.32 2.88 -1.26 -4.70 113.62 118.28 1ibm n SER 92 Ca -0.17 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.64 1ibm n SER 92 Cb 0.53 -1.27 0.64 0.00 -0.75 0.00 0.00 64.21 63.36 1ibm n SER 92 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ibm h PRO 93 N 3.26 0.00 0.00 -1.46 0.13 -1.99 0.18 132.00 132.12 1ibm h PRO 93 Ca -0.43 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.44 1ibm h PRO 93 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1ibm h PRO 93 CO 0.69 0.00 -1.56 -2.13 -0.23 0.00 0.00 178.00 174.78 1ibm n ARG 94 N -2.57 0.55 0.01 0.86 3.00 -1.26 -4.35 116.66 112.90 1ibm n ARG 94 Ca -0.02 0.44 0.17 0.00 -0.00 0.00 0.00 57.85 58.44 1ibm n ARG 94 Cb 0.35 -1.63 0.64 0.00 0.00 0.00 0.00 32.46 31.82 1ibm n ARG 94 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1ibm h ARG 95 N -1.00 0.10 0.28 -0.14 2.43 -1.29 -2.45 114.38 112.31 1ibm h ARG 95 Ca -0.39 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1ibm h ARG 95 Cb 1.28 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1ibm h ARG 95 CO -0.24 0.07 -0.37 1.96 -1.51 0.00 0.00 179.97 179.88 1ibm h GLN 96 N 0.10 -0.64 -0.40 0.20 4.20 -0.96 -1.27 115.11 116.34 1ibm h GLN 96 Ca 0.23 0.04 0.08 0.00 0.06 0.00 0.00 58.65 59.06 1ibm h GLN 96 Cb 0.79 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 28.63 1ibm h GLN 96 CO -0.02 -0.43 -0.38 0.37 -0.67 0.00 0.00 178.83 177.70 1ibm h GLN 97 N -0.67 -0.28 -0.83 1.46 4.15 -1.65 0.22 115.11 117.52 1ibm h GLN 97 Ca -0.03 0.02 0.16 0.00 0.77 0.00 0.00 58.65 59.57 1ibm h GLN 97 Cb 0.60 0.06 -0.16 0.00 0.21 0.00 0.00 27.48 28.20 1ibm h GLN 97 CO -0.09 -0.19 -0.21 0.77 -1.93 0.00 0.00 178.83 177.18 1ibm h SER 98 N -0.29 -0.80 -0.10 -0.69 0.02 -1.33 0.16 113.55 110.52 1ibm h SER 98 Ca 0.16 0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.32 1ibm h SER 98 Cb 0.56 0.52 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 1ibm h SER 98 CO -0.56 -0.27 -0.07 -0.07 -1.14 0.00 0.00 176.83 174.71 1ibm h LEU 99 N -0.00 0.24 0.06 5.07 3.38 0.13 0.03 115.31 124.22 1ibm h LEU 99 Ca 0.39 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1ibm h LEU 99 Cb 0.60 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1ibm h LEU 99 CO -0.85 0.64 -0.36 0.00 0.09 0.00 0.00 178.44 177.95 1ibm h ALA 100 N 0.61 -0.85 0.06 1.53 0.00 0.57 0.58 119.26 121.77 1ibm h ALA 100 Ca 0.02 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ibm h ALA 100 Cb 0.56 0.77 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1ibm h ALA 100 CO 0.02 -0.94 -0.40 -0.07 0.00 0.00 0.00 179.25 177.86 1ibm h LEU 101 N -0.50 -1.19 -0.45 0.00 3.38 -1.08 0.20 115.31 115.67 1ibm h LEU 101 Ca -0.00 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.20 1ibm h LEU 101 Cb 0.51 0.46 -0.10 0.00 0.09 0.00 0.00 40.66 41.63 1ibm h LEU 101 CO -0.21 -0.46 -0.33 -0.09 0.09 0.00 0.00 178.44 177.45 1ibm h ARG 102 N -0.59 -0.22 -0.62 1.13 2.43 -0.73 -0.79 114.38 114.99 1ibm h ARG 102 Ca 0.04 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.34 1ibm h ARG 102 Cb 0.65 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.16 1ibm h ARG 102 CO -0.27 -0.15 0.16 -1.49 -1.51 0.00 0.00 179.97 176.71 1ibm h TRP 103 N -0.23 0.26 0.00 2.20 6.55 0.10 -1.01 115.95 123.83 1ibm h TRP 103 Ca 0.19 0.04 0.00 0.00 0.95 0.00 0.00 58.89 60.06 1ibm h TRP 103 Cb 0.54 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.82 1ibm h TRP 103 CO -0.56 -0.01 0.00 1.28 -1.05 0.00 0.00 178.44 178.10 1ibm n LEU 104 N -5.10 0.00 -0.37 -4.49 4.77 -0.02 0.86 117.00 112.65 1ibm n LEU 104 Ca 0.10 0.87 0.29 0.00 -0.03 0.00 0.00 56.01 57.24 1ibm n LEU 104 Cb 0.33 -0.37 0.58 0.00 -2.33 0.00 0.00 43.42 41.63 1ibm n LEU 104 CO 0.18 -0.37 1.23 0.58 -1.33 0.00 0.00 177.39 177.68 1ibm h VAL 105 N 0.00 0.37 0.78 4.08 2.07 -1.41 0.96 116.25 123.09 1ibm h VAL 105 Ca 0.00 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1ibm h VAL 105 Cb 0.00 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1ibm h VAL 105 CO 0.00 0.05 -0.38 -0.61 0.02 0.00 0.00 177.57 176.65 1ibm h GLN 106 N 0.25 -1.01 0.00 1.57 4.15 -0.38 -1.96 115.11 117.73 1ibm h GLN 106 Ca 0.68 0.07 -0.00 0.00 0.77 0.00 0.00 58.65 60.16 1ibm h GLN 106 Cb 1.97 0.23 0.00 0.00 0.21 0.00 0.00 27.48 29.89 1ibm h GLN 106 CO -0.31 -0.66 -0.00 0.00 -1.93 0.00 0.00 178.83 175.92 1ibm h ALA 107 N -0.93 -0.01 -0.96 3.38 0.00 0.39 -3.12 119.26 118.02 1ibm h ALA 107 Ca -0.11 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1ibm h ALA 107 Cb 0.82 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 1ibm h ALA 107 CO 0.18 -0.48 -0.50 0.00 0.00 0.00 0.00 179.25 178.45 1ibm h ALA 108 N 0.94 -0.25 0.00 0.00 0.00 0.83 0.54 119.26 121.33 1ibm h ALA 108 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ibm h ALA 108 Cb 0.05 1.20 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ibm h ALA 108 CO 0.00 -0.82 0.00 0.09 0.00 0.00 0.00 179.25 178.52 1ibm n ASN 109 N -5.35 1.26 -0.05 0.00 3.02 -0.74 -1.95 115.26 111.45 1ibm n ASN 109 Ca 0.05 -1.73 0.01 0.00 -0.03 0.00 0.00 54.58 52.88 1ibm n ASN 109 Cb 0.32 -0.43 -0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1ibm n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ibm n GLN 110 N 0.18 2.72 -0.66 3.52 1.13 0.19 -5.03 117.38 119.44 1ibm n GLN 110 Ca 0.00 -0.33 -0.17 0.00 -1.94 0.00 0.00 57.00 54.56 1ibm n GLN 110 Cb 0.27 -0.83 0.14 0.00 0.11 0.00 0.00 30.24 29.93 1ibm n GLN 110 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1ibm n ARG 111 N -0.44 -2.09 -0.10 -1.09 1.74 -0.82 -5.04 116.66 108.81 1ibm n ARG 111 Ca 0.01 -1.03 -0.14 0.00 -0.77 0.00 0.00 57.85 55.92 1ibm n ARG 111 Cb 0.04 -0.93 -0.10 0.00 -1.02 0.00 0.00 32.46 30.45 1ibm n ARG 111 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ibm n PRO 112 N -3.35 0.66 -1.51 5.56 -0.04 -1.26 -5.00 135.00 130.06 1ibm n PRO 112 Ca 0.09 0.10 -0.52 0.00 -0.04 0.00 0.00 63.50 63.13 1ibm n PRO 112 Cb 0.34 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 1ibm n PRO 112 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ibm n GLU 113 N -3.03 0.48 -0.10 0.54 0.00 -1.26 -4.88 120.64 112.38 1ibm n GLU 113 Ca -0.36 0.17 -0.11 0.00 0.00 0.00 0.00 57.16 56.86 1ibm n GLU 113 Cb 0.93 -1.55 -0.03 0.00 0.00 0.00 0.00 31.44 30.78 1ibm n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ibm h ARG 114 N 2.67 0.59 -6.27 3.44 3.08 -2.03 -3.44 114.38 112.43 1ibm h ARG 114 Ca -0.42 -0.23 -0.56 0.00 0.07 0.00 0.00 59.98 58.84 1ibm h ARG 114 Cb 1.40 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.39 1ibm h ARG 114 CO 0.65 0.78 1.11 1.03 -1.07 0.00 0.00 179.97 182.48 1ibm s ARG 115 N -4.77 3.87 0.05 0.04 0.52 -1.26 -4.92 118.95 112.47 1ibm s ARG 115 Ca -0.13 1.74 -0.13 0.00 -0.52 0.00 0.00 55.73 56.70 1ibm s ARG 115 Cb 0.08 -4.02 -0.04 0.00 0.52 0.00 0.00 34.95 31.49 1ibm s ARG 115 CO 0.78 -1.21 1.21 0.00 0.02 0.00 0.00 175.30 176.10 1ibm h ALA 116 N 10.47 -0.53 -0.51 2.13 0.00 -2.01 -1.92 119.26 126.89 1ibm h ALA 116 Ca -0.34 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.75 1ibm h ALA 116 Cb 1.16 0.82 -0.09 0.00 0.00 0.00 0.00 17.79 19.67 1ibm h ALA 116 CO 0.99 -0.62 0.20 0.00 0.00 0.00 0.00 179.25 179.83 1ibm n ALA 117 N -2.80 0.45 0.25 0.00 0.00 -1.26 0.10 120.51 117.25 1ibm n ALA 117 Ca -0.02 0.53 -0.10 0.00 0.00 0.00 0.00 53.44 53.85 1ibm n ALA 117 Cb 0.13 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 1ibm n ALA 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ibm h VAL 118 N 0.00 0.00 -0.79 0.00 2.07 -1.69 -2.58 116.25 113.27 1ibm h VAL 118 Ca 0.40 -0.23 0.16 0.00 0.82 0.00 0.00 66.70 67.85 1ibm h VAL 118 Cb 1.01 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.63 1ibm h VAL 118 CO -0.42 0.00 -0.20 0.54 0.02 0.00 0.00 177.57 177.52 1ibm n ARG 119 N -4.44 -0.07 0.39 1.57 1.74 0.11 0.22 116.66 116.18 1ibm n ARG 119 Ca -0.08 1.23 -0.19 0.00 -0.77 0.00 0.00 57.85 58.03 1ibm n ARG 119 Cb 0.26 -1.83 -0.10 0.00 -1.02 0.00 0.00 32.46 29.78 1ibm n ARG 119 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1ibm h ILE 120 N 0.00 0.00 -0.44 0.55 1.08 -1.53 0.72 117.51 117.89 1ibm h ILE 120 Ca 0.37 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.94 1ibm h ILE 120 Cb 0.57 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.23 1ibm h ILE 120 CO -0.81 0.00 -0.20 0.00 -0.69 0.00 0.00 178.15 176.45 1ibm h ALA 121 N -1.13 0.13 -0.08 1.87 0.00 0.12 -0.97 119.26 119.20 1ibm h ALA 121 Ca -0.10 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ibm h ALA 121 Cb 0.93 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ibm h ALA 121 CO 0.06 -0.55 0.00 0.72 0.00 0.00 0.00 179.25 179.48 1ibm n HIS 122 N -5.39 0.00 -0.30 0.00 8.25 0.58 -2.21 115.22 116.16 1ibm n HIS 122 Ca 0.03 0.00 0.23 0.00 -0.26 0.00 0.00 57.72 57.72 1ibm n HIS 122 Cb 0.30 -0.49 0.44 0.00 1.12 0.00 0.00 29.99 31.36 1ibm n HIS 122 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1ibm n GLU 123 N -1.96 -0.06 0.24 -0.41 4.07 0.25 0.80 120.64 123.56 1ibm n GLU 123 Ca 0.00 1.29 -0.17 0.00 -0.06 0.00 0.00 57.16 58.22 1ibm n GLU 123 Cb 0.00 -2.22 -0.09 0.00 -0.06 0.00 0.00 31.44 29.07 1ibm n GLU 123 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1ibm h LEU 124 N 0.00 -1.33 -0.44 4.31 3.38 -1.05 0.84 115.31 121.02 1ibm h LEU 124 Ca 0.69 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.86 1ibm h LEU 124 Cb 1.71 0.45 -0.10 0.00 0.09 0.00 0.00 40.66 42.82 1ibm h LEU 124 CO -0.75 -0.60 -0.33 0.24 0.09 0.00 0.00 178.44 177.08 1ibm h MET 125 N -0.89 -0.23 -0.43 1.13 2.86 0.87 0.38 114.93 118.63 1ibm h MET 125 Ca -0.05 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.70 1ibm h MET 125 Cb 0.79 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.41 1ibm h MET 125 CO -0.10 -0.15 -0.20 -0.44 1.06 0.00 0.00 176.91 177.08 1ibm h ASP 126 N -0.24 -0.69 -0.29 1.22 5.19 -1.09 0.22 116.42 120.74 1ibm h ASP 126 Ca 0.18 0.16 0.07 0.00 -0.62 0.00 0.00 57.03 56.82 1ibm h ASP 126 Cb 0.54 0.38 -0.08 0.00 0.18 0.00 0.00 39.33 40.35 1ibm h ASP 126 CO -0.57 -0.23 -0.30 0.00 -3.12 0.00 0.00 179.24 175.01 1ibm h ALA 127 N 1.17 -0.21 -0.33 3.45 0.00 0.17 0.30 119.26 123.81 1ibm h ALA 127 Ca 0.21 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1ibm h ALA 127 Cb 0.44 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1ibm h ALA 127 CO -0.50 -0.73 -0.42 0.00 0.00 0.00 0.00 179.25 177.60 1ibm h ALA 128 N 0.69 -0.46 -0.70 0.00 0.00 0.21 -1.17 119.26 117.82 1ibm h ALA 128 Ca 0.14 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.23 1ibm h ALA 128 Cb 0.52 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1ibm h ALA 128 CO -0.45 -0.87 0.24 0.93 0.00 0.00 0.00 179.25 179.09 1ibm h GLU 129 N -0.37 0.37 0.00 0.00 4.39 0.90 -3.46 114.58 116.41 1ibm h GLU 129 Ca 0.12 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1ibm h GLU 129 Cb 0.59 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1ibm h GLU 129 CO -0.52 0.24 0.00 0.41 -1.16 0.00 0.00 179.01 177.98 1ibm n GLY 130 N -1.32 0.60 3.64 -3.84 0.00 0.89 -5.10 105.19 100.07 1ibm n GLY 130 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1ibm n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ibm s LYS 131 N 0.00 2.09 0.00 1.61 -2.85 -0.50 -4.98 119.74 115.11 1ibm s LYS 131 Ca 0.00 -2.32 0.00 0.00 -1.00 0.00 0.00 55.97 52.65 1ibm s LYS 131 Cb 0.00 -1.03 0.00 0.00 -2.06 0.00 0.00 37.83 34.74 1ibm s LYS 131 CO 0.00 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 175.40 1ibm n GLY 132 N -1.11 2.62 0.67 0.59 0.00 -1.26 -2.38 105.19 104.32 1ibm n GLY 132 Ca -0.13 -1.67 0.50 0.00 0.00 0.00 0.00 46.02 44.72 1ibm n GLY 132 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ibm h GLY 133 N 0.00 0.08 0.21 -0.02 0.00 -1.94 0.16 103.07 101.56 1ibm h GLY 133 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1ibm h GLY 133 CO 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 176.54 176.41 1ibm h ALA 134 N 1.11 -0.60 -0.91 3.60 0.00 -1.86 -3.07 119.26 117.52 1ibm h ALA 134 Ca 0.88 -0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.99 1ibm h ALA 134 Cb 3.48 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 21.35 1ibm h ALA 134 CO -0.04 -0.58 0.69 0.28 0.00 0.00 0.00 179.25 179.61 1ibm h VAL 135 N -0.47 0.47 -0.02 0.00 2.07 -1.36 -0.33 116.25 116.60 1ibm h VAL 135 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1ibm h VAL 135 Cb 0.22 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1ibm h VAL 135 CO 0.05 0.00 -0.12 0.50 0.02 0.00 0.00 177.57 178.02 1ibm h LYS 136 N 0.00 -0.13 -0.23 1.57 3.64 -0.95 0.83 116.57 121.30 1ibm h LYS 136 Ca 0.43 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.86 1ibm h LYS 136 Cb 1.82 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 33.59 1ibm h LYS 136 CO -0.00 -0.09 -0.52 0.87 -2.27 0.00 0.00 179.45 177.44 1ibm h LYS 137 N -0.13 -0.48 -0.79 1.90 1.57 -1.02 0.31 116.57 117.92 1ibm h LYS 137 Ca 0.01 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.97 1ibm h LYS 137 Cb 0.15 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 32.42 1ibm h LYS 137 CO -0.09 -0.32 -0.23 -0.22 -0.57 0.00 0.00 179.45 178.02 1ibm h LYS 138 N -0.50 -0.02 -0.76 3.15 3.11 -1.02 0.88 116.57 121.42 1ibm h LYS 138 Ca 0.06 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.94 1ibm h LYS 138 Cb 0.64 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.83 1ibm h LYS 138 CO -0.49 -0.01 0.48 0.93 -2.81 0.00 0.00 179.45 177.54 1ibm h GLU 139 N -0.02 0.90 -0.35 1.90 5.08 0.29 -2.71 114.58 119.67 1ibm h GLU 139 Ca 0.37 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1ibm h GLU 139 Cb 0.59 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1ibm h GLU 139 CO -0.82 0.59 -0.20 -0.44 -1.00 0.00 0.00 179.01 177.14 1ibm h ASP 140 N 0.92 0.79 0.72 1.42 3.32 0.41 -2.33 116.42 121.67 1ibm h ASP 140 Ca 0.31 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1ibm h ASP 140 Cb 0.03 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1ibm h ASP 140 CO -0.12 1.03 -0.42 0.58 -1.72 0.00 0.00 179.24 178.59 1ibm h VAL 141 N 0.55 0.00 -1.03 -1.35 2.07 -0.15 -0.98 116.25 115.36 1ibm h VAL 141 Ca 0.08 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.86 1ibm h VAL 141 Cb 0.75 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.41 1ibm h VAL 141 CO 0.06 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 177.95 1ibm h GLU 142 N -1.06 0.47 -0.52 1.57 5.08 -1.56 0.30 114.58 118.85 1ibm h GLU 142 Ca -0.10 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1ibm h GLU 142 Cb 0.84 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 1ibm h GLU 142 CO 0.11 0.31 0.20 0.00 -1.00 0.00 0.00 179.01 178.64 1ibm h ARG 143 N 0.48 0.38 0.41 2.33 3.08 -0.68 -2.54 114.38 117.85 1ibm h ARG 143 Ca 0.64 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.65 1ibm h ARG 143 Cb 1.40 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1ibm h ARG 143 CO -0.41 0.25 -0.33 0.52 -1.07 0.00 0.00 179.97 178.93 1ibm h MET 144 N 0.39 -0.71 0.00 0.04 2.86 0.84 -3.34 114.93 115.01 1ibm h MET 144 Ca 0.25 0.05 -0.29 0.00 -2.06 0.00 0.00 59.70 57.65 1ibm h MET 144 Cb 0.26 0.16 0.17 0.00 0.06 0.00 0.00 31.60 32.24 1ibm h MET 144 CO -0.24 -0.48 -0.10 0.00 1.06 0.00 0.00 176.91 177.16 1ibm n ALA 145 N -2.59 -3.85 -1.68 6.32 0.00 -0.96 -2.31 120.51 115.45 1ibm n ALA 145 Ca -0.10 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.13 1ibm n ALA 145 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1ibm n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ibm n GLU 146 N -4.83 -1.93 -0.67 0.00 -0.58 -1.26 -4.24 120.64 107.13 1ibm n GLU 146 Ca 0.11 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.84 1ibm n GLU 146 Cb 0.46 -4.02 -0.01 0.00 -0.57 0.00 0.00 31.44 27.30 1ibm n GLU 146 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ibm n ALA 147 N -1.66 2.29 -1.85 0.62 0.00 -0.98 -4.67 120.51 114.27 1ibm n ALA 147 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1ibm n ALA 147 Cb 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1ibm n ALA 147 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ibm n ASN 148 N 0.05 0.00 -0.21 0.00 3.02 -1.21 -4.91 115.26 111.99 1ibm n ASN 148 Ca -0.04 -1.05 0.28 0.00 -0.03 0.00 0.00 54.58 53.75 1ibm n ASN 148 Cb 0.65 -0.01 0.45 0.00 -0.61 0.00 0.00 39.78 40.26 1ibm n ASN 148 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1ibm h ARG 149 N 0.00 0.00 -0.03 3.52 2.47 -1.88 0.41 114.38 118.86 1ibm h ARG 149 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ibm h ARG 149 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1ibm h ARG 149 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.53 1ibm n ALA 150 N -2.25 1.50 -1.16 0.04 0.00 -1.26 -1.36 120.51 116.02 1ibm n ALA 150 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ibm n ALA 150 Cb 1.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1ibm n ALA 150 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ibm n TYR 151 N -0.25 0.00 0.00 0.00 4.02 0.14 -4.79 117.16 116.28 1ibm n TYR 151 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1ibm n TYR 151 Cb 0.01 0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 1ibm n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ibm n ALA 152 N 0.00 1.27 0.42 -0.72 0.00 -0.46 0.44 120.51 121.45 1ibm n ALA 152 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1ibm n ALA 152 Cb 0.32 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 18.82 1ibm n ALA 152 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1ibm n HIS 153 N -1.22 0.49 -0.66 0.00 1.44 -1.26 -3.49 115.22 110.51 1ibm n HIS 153 Ca 0.00 0.14 -0.18 0.00 -2.01 0.00 0.00 57.72 55.67 1ibm n HIS 153 Cb 0.00 -0.62 0.08 0.00 0.12 0.00 0.00 29.99 29.58 1ibm n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1ibm n TYR 154 N -2.19 1.94 0.00 -1.40 0.53 0.17 -4.91 117.16 111.30 1ibm n TYR 154 Ca 0.01 -1.75 0.00 0.00 -1.02 0.00 0.00 57.90 55.14 1ibm n TYR 154 Cb 0.47 -0.87 0.00 0.00 -1.03 0.00 0.00 39.34 37.91 1ibm n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1ibm n ARG 155 N -0.27 0.00 -0.70 -0.72 5.12 -1.23 -5.04 116.66 113.82 1ibm n ARG 155 Ca 0.38 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1ibm n ARG 155 Cb 0.94 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.24 1ibm n ARG 155 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57