#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kam s VAL 2 N 0.00 5.22 0.45 3.15 1.01 -1.26 -0.25 120.40 128.72 3kam s VAL 2 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 3kam s VAL 2 Cb 0.00 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 3kam s VAL 2 CO 0.00 -0.38 1.10 -0.36 0.00 0.00 0.00 175.10 175.46 3kam s PHE 3 N 1.77 3.00 0.63 5.22 0.08 -0.35 -5.00 117.98 123.34 3kam s PHE 3 Ca 0.06 1.58 -0.12 0.00 0.12 0.00 0.00 56.93 58.57 3kam s PHE 3 Cb -0.19 -3.23 -0.03 0.00 -0.57 0.00 0.00 43.02 39.00 3kam s PHE 3 CO 0.10 -1.10 1.04 0.20 -0.10 0.00 0.00 175.22 175.36 3kam s GLY 4 N -1.58 1.79 0.13 4.36 0.00 -1.26 -4.83 107.32 105.92 3kam s GLY 4 Ca 0.63 0.09 -0.24 0.00 0.00 0.00 0.00 44.72 45.20 3kam s GLY 4 CO 0.29 0.38 1.64 -0.09 0.00 0.00 0.00 173.10 175.32 3kam h ARG 5 N -0.19 -0.31 -0.12 2.90 2.43 -1.97 -0.11 114.38 117.00 3kam h ARG 5 Ca -0.45 0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.59 3kam h ARG 5 Cb 1.20 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3kam h ARG 5 CO 0.59 -0.20 -0.57 0.00 -1.51 0.00 0.00 179.97 178.27 3kam h GLU 7 N 0.30 0.55 -0.33 0.00 4.81 -1.90 -0.40 114.58 117.61 3kam h GLU 7 Ca 0.00 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 3kam h GLU 7 Cb 1.09 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3kam h GLU 7 CO 0.10 0.36 -0.39 1.25 -0.73 0.00 0.00 179.01 179.60 3kam h LEU 8 N 0.57 0.83 -0.51 1.64 5.85 -0.87 -1.46 115.31 121.37 3kam h LEU 8 Ca 0.19 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.58 3kam h LEU 8 Cb 0.01 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 3kam h LEU 8 CO -0.08 1.12 0.24 0.00 -0.34 0.00 0.00 178.44 179.38 3kam h ALA 9 N 0.92 0.64 0.01 1.25 0.00 -0.99 0.26 119.26 121.35 3kam h ALA 9 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kam h ALA 9 Cb 0.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kam h ALA 9 CO 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 179.25 179.22 3kam h ALA 10 N 1.28 -0.01 -0.69 0.00 0.00 -0.93 -0.80 119.26 118.11 3kam h ALA 10 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kam h ALA 10 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3kam h ALA 10 CO -0.17 -0.47 0.45 0.00 0.00 0.00 0.00 179.25 179.06 3kam h ALA 11 N 0.92 0.88 -0.87 0.00 0.00 -0.97 -0.20 119.26 119.02 3kam h ALA 11 Ca -0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3kam h ALA 11 Cb 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3kam h ALA 11 CO 0.00 0.31 0.56 0.52 0.00 0.00 0.00 179.25 180.64 3kam h MET 12 N 0.94 1.06 -0.41 0.00 2.86 -0.24 -1.21 114.93 117.93 3kam h MET 12 Ca 0.25 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 3kam h MET 12 Cb -0.09 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.31 3kam h MET 12 CO -0.05 0.70 0.05 -0.22 1.06 0.00 0.00 176.91 178.44 3kam h LYS 13 N 1.09 0.70 -0.77 1.72 3.64 -0.59 -1.64 116.57 120.71 3kam h LYS 13 Ca 0.34 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3kam h LYS 13 Cb -0.00 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3kam h LYS 13 CO -0.11 0.75 0.51 -0.09 -2.27 0.00 0.00 179.45 178.24 3kam h ARG 14 N 0.54 0.93 -0.40 1.90 2.43 -0.65 -1.39 114.38 117.73 3kam h ARG 14 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3kam h ARG 14 Cb 0.41 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3kam h ARG 14 CO 0.01 0.61 0.00 0.72 -1.51 0.00 0.00 179.97 179.80 3kam n HIS 15 N -4.45 0.54 -0.77 2.20 8.25 -0.49 -4.94 115.22 115.56 3kam n HIS 15 Ca 0.10 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 3kam n HIS 15 Cb 0.11 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3kam n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kam n GLY 16 N 1.09 0.53 0.14 -1.41 0.00 -0.52 -4.95 105.19 100.08 3kam n GLY 16 Ca 0.13 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.44 3kam n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kam h LEU 17 N 0.00 0.00 -9.03 0.99 3.38 -1.52 -3.40 115.31 105.72 3kam h LEU 17 Ca 0.00 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.36 3kam h LEU 17 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3kam h LEU 17 CO 0.00 0.02 1.37 -0.62 0.09 0.00 0.00 178.44 179.29 3kam s ASP 18 N -5.36 5.82 -1.31 -0.43 2.15 -1.26 -1.24 116.67 115.03 3kam s ASP 18 Ca 0.05 1.89 0.00 0.00 0.43 0.00 0.00 52.55 54.92 3kam s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3kam s ASP 18 CO 0.71 -1.67 0.00 0.59 -0.17 0.00 0.00 175.17 174.63 3kam n ASN 19 N 10.33 -5.53 -4.68 -0.34 3.02 -0.49 -4.90 115.26 112.65 3kam n ASN 19 Ca 0.26 0.31 -0.45 0.00 -0.03 0.00 0.00 54.58 54.66 3kam n ASN 19 Cb 0.45 -4.12 -0.04 0.00 -0.61 0.00 0.00 39.78 35.45 3kam n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kam n TYR 20 N -2.29 2.44 -2.21 3.10 9.36 -0.37 -0.84 117.16 126.35 3kam n TYR 20 Ca -0.12 0.13 -0.13 0.00 3.32 0.00 0.00 57.90 61.10 3kam n TYR 20 Cb 0.58 -2.61 -0.02 0.00 -0.63 0.00 0.00 39.34 36.66 3kam n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3kam n ARG 21 N 4.20 -2.00 -0.85 2.98 5.12 -1.26 -1.34 116.66 123.52 3kam n ARG 21 Ca 0.17 0.65 0.00 0.00 -1.93 0.00 0.00 57.85 56.74 3kam n ARG 21 Cb 0.31 -5.17 0.00 0.00 -1.16 0.00 0.00 32.46 26.44 3kam n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kam n GLY 22 N -0.69 0.81 3.56 -0.13 0.00 -0.02 -5.01 105.19 103.71 3kam n GLY 22 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3kam n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kam s TYR 23 N -3.15 3.21 0.77 1.61 2.02 -0.45 -4.91 117.35 116.44 3kam s TYR 23 Ca 0.00 0.16 -0.14 0.00 -0.37 0.00 0.00 57.07 56.73 3kam s TYR 23 Cb 0.00 -2.77 0.06 0.00 -0.40 0.00 0.00 41.96 38.85 3kam s TYR 23 CO 0.00 -0.44 1.18 -1.54 -1.57 0.00 0.00 175.55 173.18 3kam s SER 24 N 1.72 4.00 0.29 2.29 1.04 -1.26 -1.40 113.70 120.38 3kam s SER 24 Ca 0.16 2.26 0.02 0.00 0.48 0.00 0.00 55.95 58.86 3kam s SER 24 Cb -0.16 -2.58 0.70 0.00 0.10 0.00 0.00 66.02 64.09 3kam s SER 24 CO 0.12 -2.38 1.64 -0.07 0.98 0.00 0.00 173.24 173.53 3kam h LEU 25 N -0.68 -0.03 -1.43 2.42 3.38 -1.91 -0.13 115.31 116.93 3kam h LEU 25 Ca -0.46 0.20 0.16 0.00 0.09 0.00 0.00 57.88 57.87 3kam h LEU 25 Cb 1.28 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 42.25 3kam h LEU 25 CO 0.48 -0.17 0.56 1.23 0.09 0.00 0.00 178.44 180.63 3kam h GLY 26 N 0.19 0.97 1.00 0.83 0.00 -1.91 -1.01 103.07 103.14 3kam h GLY 26 Ca 0.55 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.65 3kam h GLY 26 CO -0.67 0.06 0.46 3.43 0.00 0.00 0.00 176.54 179.82 3kam h ASN 27 N 0.53 0.79 -0.26 0.19 2.35 -1.25 -0.66 115.58 117.28 3kam h ASN 27 Ca 0.43 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 56.00 3kam h ASN 27 Cb 0.87 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3kam h ASN 27 CO -0.17 0.57 -0.48 -0.50 -1.65 0.00 0.00 177.43 175.20 3kam h TRP 28 N 0.93 0.98 -0.41 1.19 4.06 -1.36 -0.66 115.95 120.68 3kam h TRP 28 Ca 0.25 -0.35 -0.05 0.00 2.06 0.00 0.00 58.89 60.81 3kam h TRP 28 Cb -0.10 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 27.86 3kam h TRP 28 CO -0.03 1.15 0.05 0.28 -3.56 0.00 0.00 178.44 176.34 3kam h VAL 29 N 0.53 1.25 -0.35 1.49 2.07 -1.12 -1.29 116.25 118.81 3kam h VAL 29 Ca 0.01 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3kam h VAL 29 Cb 1.08 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 3kam h VAL 29 CO 0.11 0.31 0.19 0.00 0.02 0.00 0.00 177.57 178.19 3kam h ALA 31 N 1.18 0.61 -0.73 0.00 0.00 -1.01 -2.36 119.26 116.94 3kam h ALA 31 Ca 0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3kam h ALA 31 Cb 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3kam h ALA 31 CO -0.09 0.08 0.24 0.00 0.00 0.00 0.00 179.25 179.48 3kam h ALA 32 N 1.15 1.04 -0.36 0.00 0.00 -0.92 0.30 119.26 120.47 3kam h ALA 32 Ca 0.17 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3kam h ALA 32 Cb -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3kam h ALA 32 CO -0.03 0.65 0.12 -0.22 0.00 0.00 0.00 179.25 179.77 3kam h LYS 33 N 1.08 0.26 0.00 0.00 1.63 -0.61 -1.17 116.57 117.76 3kam h LYS 33 Ca 0.24 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3kam h LYS 33 Cb 0.28 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 3kam h LYS 33 CO -0.01 0.17 -0.63 0.74 -3.45 0.00 0.00 179.45 176.27 3kam h PHE 34 N 0.26 0.00 0.15 1.91 0.05 -1.26 0.12 116.94 118.17 3kam h PHE 34 Ca 0.16 0.00 -0.21 0.00 3.82 0.00 0.00 57.97 61.75 3kam h PHE 34 Cb 0.15 0.00 0.02 0.00 2.00 0.00 0.00 35.95 38.12 3kam h PHE 34 CO -0.15 0.00 -0.90 0.93 -0.18 0.00 0.00 178.31 178.01 3kam h GLU 35 N 0.00 0.34 0.00 1.51 4.39 -0.84 -3.43 114.58 116.55 3kam h GLU 35 Ca 0.00 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.13 3kam h GLU 35 Cb 0.92 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3kam h GLU 35 CO 0.00 1.27 0.00 -1.13 -1.16 0.00 0.00 179.01 177.99 3kam n SER 36 N -4.07 0.25 -3.03 1.42 3.41 -0.46 -4.82 113.62 106.31 3kam n SER 36 Ca -0.14 -0.96 -0.21 0.00 -0.26 0.00 0.00 58.87 57.29 3kam n SER 36 Cb 0.86 0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.83 3kam n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3kam n ASN 37 N -0.01 -4.85 -0.69 4.04 5.15 0.43 -1.72 115.26 117.62 3kam n ASN 37 Ca 0.00 -0.24 -0.09 0.00 -0.60 0.00 0.00 54.58 53.65 3kam n ASN 37 Cb 0.18 -3.98 -0.04 0.00 -0.53 0.00 0.00 39.78 35.41 3kam n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3kam n PHE 38 N -4.09 0.00 -3.37 1.20 3.72 -1.18 -4.84 117.46 108.90 3kam n PHE 38 Ca -0.09 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.88 3kam n PHE 38 Cb 0.59 -1.89 -0.09 0.00 -0.94 0.00 0.00 39.48 37.15 3kam n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3kam s ASN 39 N -2.71 6.17 0.61 4.37 3.84 -0.70 -1.21 114.94 125.30 3kam s ASN 39 Ca 0.00 -0.72 0.35 0.00 0.21 0.00 0.00 52.86 52.70 3kam s ASN 39 Cb 0.00 -2.20 1.97 0.00 -0.55 0.00 0.00 41.25 40.47 3kam s ASN 39 CO 0.00 -0.53 2.26 0.71 -2.79 0.00 0.00 177.10 176.75 3kam h THR 40 N 5.69 0.32 -0.12 -5.21 1.35 -0.94 -2.64 112.91 111.37 3kam h THR 40 Ca -0.27 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3kam h THR 40 Cb 1.12 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3kam h THR 40 CO 0.77 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 176.06 3kam n GLN 41 N -3.50 1.79 -1.78 4.72 6.02 -1.26 -4.04 117.38 119.33 3kam n GLN 41 Ca -0.03 -1.17 -0.42 0.00 -0.01 0.00 0.00 57.00 55.37 3kam n GLN 41 Cb 0.11 -1.44 -0.02 0.00 1.02 0.00 0.00 30.24 29.91 3kam n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kam s ALA 42 N -1.86 3.84 0.01 -1.58 0.00 -0.99 -4.77 121.76 116.41 3kam s ALA 42 Ca 0.35 1.55 0.03 0.00 0.00 0.00 0.00 51.96 53.89 3kam s ALA 42 Cb 0.19 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3kam s ALA 42 CO 0.29 -0.93 -0.09 0.95 0.00 0.00 0.00 175.76 175.99 3kam s THR 43 N 0.70 0.67 -0.10 0.00 -4.23 -1.26 0.02 115.64 111.44 3kam s THR 43 Ca 0.70 -0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 60.59 3kam s THR 43 Cb -0.48 -0.61 0.05 0.00 1.34 0.00 0.00 72.50 72.80 3kam s THR 43 CO 0.38 0.05 0.23 0.20 -0.54 0.00 0.00 174.62 174.93 3kam s ASN 44 N -0.58 -0.09 0.09 3.99 0.01 -0.56 -4.97 114.94 112.82 3kam s ASN 44 Ca 0.00 0.48 -0.30 0.00 -0.71 0.00 0.00 52.86 52.34 3kam s ASN 44 Cb -0.05 0.40 -0.05 0.00 0.41 0.00 0.00 41.25 41.96 3kam s ASN 44 CO 0.00 -0.18 1.05 -0.60 -1.51 0.00 0.00 177.10 175.86 3kam s ARG 45 N 1.47 4.58 0.37 -0.60 6.06 -1.26 -0.43 118.95 129.14 3kam s ARG 45 Ca -0.07 1.57 -0.07 0.00 -2.50 0.00 0.00 55.73 54.66 3kam s ARG 45 Cb -0.11 -3.37 -0.05 0.00 0.06 0.00 0.00 34.95 31.48 3kam s ARG 45 CO -0.08 0.01 0.68 -0.80 -2.50 0.00 0.00 175.30 172.62 3kam s ASN 46 N 0.45 6.45 0.52 -2.12 0.02 0.23 -4.96 114.94 115.54 3kam s ASN 46 Ca 0.51 0.92 0.20 0.00 -1.02 0.00 0.00 52.86 53.47 3kam s ASN 46 Cb -0.25 -2.23 1.30 0.00 0.02 0.00 0.00 41.25 40.08 3kam s ASN 46 CO 0.30 -0.34 2.08 0.71 0.02 0.00 0.00 177.10 179.87 3kam h THR 47 N 1.06 0.89 -0.00 1.60 1.35 -1.97 -1.62 112.91 114.22 3kam h THR 47 Ca -0.47 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3kam h THR 47 Cb 1.19 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3kam h THR 47 CO 0.64 0.01 -0.01 -0.90 -0.25 0.00 0.00 175.52 175.01 3kam n ASP 48 N -4.47 0.06 0.00 5.36 5.68 -1.26 -4.88 116.55 117.04 3kam n ASP 48 Ca 0.03 -0.65 0.00 0.00 -0.50 0.00 0.00 54.79 53.67 3kam n ASP 48 Cb 0.32 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3kam n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kam n GLY 49 N 1.13 0.47 3.82 6.12 0.00 -0.61 -5.01 105.19 111.12 3kam n GLY 49 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3kam n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kam s SER 50 N -2.49 3.85 0.04 1.61 1.04 -1.26 -4.72 113.70 111.77 3kam s SER 50 Ca 0.00 0.92 0.05 0.00 0.48 0.00 0.00 55.95 57.40 3kam s SER 50 Cb 0.00 -1.48 -0.02 0.00 0.10 0.00 0.00 66.02 64.62 3kam s SER 50 CO 0.00 -2.33 -0.13 -0.89 0.98 0.00 0.00 173.24 170.87 3kam s THR 51 N -3.36 1.04 -0.17 2.02 2.01 -1.26 -0.60 115.64 115.32 3kam s THR 51 Ca 0.63 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.53 3kam s THR 51 Cb -0.14 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 3kam s THR 51 CO 0.52 -0.05 0.12 -1.81 -0.69 0.00 0.00 174.62 172.71 3kam s ASP 52 N -1.21 6.15 -0.07 3.53 1.01 0.42 -0.90 116.67 125.61 3kam s ASP 52 Ca 0.00 0.27 0.05 0.00 0.71 0.00 0.00 52.55 53.59 3kam s ASP 52 Cb -0.08 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 3kam s ASP 52 CO 0.01 0.25 -0.24 -0.31 0.21 0.00 0.00 175.17 175.09 3kam s TYR 53 N -0.05 2.39 0.00 4.23 2.02 -0.08 -1.49 117.35 124.37 3kam s TYR 53 Ca 0.09 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 56.00 3kam s TYR 53 Cb -0.11 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 3kam s TYR 53 CO 0.00 -0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 3kam n GLY 54 N 3.14 -2.30 0.40 0.71 0.00 0.10 -1.34 105.19 105.90 3kam n GLY 54 Ca -0.18 -1.65 0.19 0.00 0.00 0.00 0.00 46.02 44.39 3kam n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3kam h ILE 55 N 0.00 0.70 -0.30 -0.61 3.07 -1.70 -0.83 117.51 117.84 3kam h ILE 55 Ca 0.00 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.29 3kam h ILE 55 Cb 0.00 0.33 0.00 0.00 -0.27 0.00 0.00 36.82 36.88 3kam h ILE 55 CO 0.00 0.06 0.00 0.18 -1.05 0.00 0.00 178.15 177.34 3kam n LEU 56 N -4.47 3.49 -3.80 0.16 4.77 -1.26 -3.94 117.00 111.95 3kam n LEU 56 Ca 0.17 -2.57 -0.25 0.00 -0.03 0.00 0.00 56.01 53.32 3kam n LEU 56 Cb 0.68 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3kam n LEU 56 CO 0.33 0.70 -0.14 0.00 -1.33 0.00 0.00 177.39 176.94 3kam n GLN 57 N -0.05 -3.28 -2.60 3.23 1.13 -0.32 -4.89 117.38 110.60 3kam n GLN 57 Ca 0.17 0.49 -0.42 0.00 -1.94 0.00 0.00 57.00 55.30 3kam n GLN 57 Cb 0.69 -4.65 -0.03 0.00 0.11 0.00 0.00 30.24 26.36 3kam n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3kam s ILE 58 N -3.75 4.44 -0.12 5.09 1.01 -0.45 -4.36 121.20 123.06 3kam s ILE 58 Ca 0.12 1.82 -0.22 0.00 0.00 0.00 0.00 60.65 62.36 3kam s ILE 58 Cb -0.04 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 3kam s ILE 58 CO 0.86 0.18 0.67 0.21 0.00 0.00 0.00 174.94 176.86 3kam s ASN 59 N 0.77 6.87 0.22 3.58 3.84 -1.26 -0.90 114.94 128.06 3kam s ASN 59 Ca 0.53 1.06 0.18 0.00 0.21 0.00 0.00 52.86 54.84 3kam s ASN 59 Cb -0.25 -2.39 0.88 0.00 -0.55 0.00 0.00 41.25 38.95 3kam s ASN 59 CO 0.29 -0.18 1.56 -1.54 -2.79 0.00 0.00 177.10 174.45 3kam n SER 60 N 4.26 0.46 -0.33 -4.21 3.41 -0.08 -1.68 113.62 115.44 3kam n SER 60 Ca -0.01 0.66 0.06 0.00 -0.26 0.00 0.00 58.87 59.32 3kam n SER 60 Cb 0.51 -0.74 0.25 0.00 -0.26 0.00 0.00 64.21 63.96 3kam n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3kam h ARG 61 N 0.00 0.97 0.00 4.33 9.65 -1.83 -3.37 114.38 124.13 3kam h ARG 61 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3kam h ARG 61 Cb 0.15 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 3kam h ARG 61 CO 0.00 0.64 -0.70 0.91 2.80 0.00 0.00 179.97 183.62 3kam n TRP 62 N -4.55 0.00 -0.04 2.20 7.02 -1.12 -1.67 117.44 119.29 3kam n TRP 62 Ca 0.16 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.63 3kam n TRP 62 Cb 0.29 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.09 3kam n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3kam n TRP 63 N -1.72 0.00 -4.00 -5.99 7.02 -0.68 -0.99 117.44 111.08 3kam n TRP 63 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 3kam n TRP 63 Cb 0.35 -0.43 -0.09 0.00 -2.42 0.00 0.00 31.31 28.72 3kam n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3kam s ASN 65 N -2.88 6.22 0.00 0.00 2.47 -0.55 -4.55 114.94 115.66 3kam s ASN 65 Ca 0.06 0.24 0.04 0.00 0.42 0.00 0.00 52.86 53.62 3kam s ASN 65 Cb 0.07 -2.17 0.04 0.00 -1.45 0.00 0.00 41.25 37.74 3kam s ASN 65 CO -0.10 -0.04 0.70 -0.90 -3.72 0.00 0.00 177.10 173.03 3kam n ASP 66 N 4.67 1.49 0.00 -4.21 5.68 -1.26 -0.82 116.55 122.10 3kam n ASP 66 Ca -0.12 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 3kam n ASP 66 Cb 0.51 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 3kam n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kam n GLY 67 N 0.15 0.62 0.78 6.12 0.00 -1.26 -4.80 105.19 106.80 3kam n GLY 67 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 3kam n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kam n ARG 68 N -1.99 0.12 -3.93 1.61 1.85 -1.26 -4.99 116.66 108.07 3kam n ARG 68 Ca 0.00 -1.45 -0.30 0.00 -1.00 0.00 0.00 57.85 55.10 3kam n ARG 68 Cb 0.04 -0.44 -0.14 0.00 -1.05 0.00 0.00 32.46 30.87 3kam n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3kam s THR 69 N -0.25 2.41 0.32 8.89 2.01 -1.26 -4.86 115.64 122.90 3kam s THR 69 Ca 0.13 -3.10 -0.28 0.00 0.31 0.00 0.00 61.69 58.75 3kam s THR 69 Cb 0.14 -2.69 -0.13 0.00 0.01 0.00 0.00 72.50 69.84 3kam s THR 69 CO -0.05 -0.78 1.09 -2.65 -0.69 0.00 0.00 174.62 171.54 3kam n PRO 70 N 3.31 1.59 -1.05 4.92 -0.02 -1.26 -2.39 135.00 140.10 3kam n PRO 70 Ca 0.05 0.56 -0.02 0.00 -2.02 0.00 0.00 63.50 62.07 3kam n PRO 70 Cb 0.34 -2.02 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 3kam n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kam n GLY 71 N 1.07 0.52 3.85 -1.23 0.00 -1.26 -4.95 105.19 103.19 3kam n GLY 71 Ca 0.08 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3kam n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kam s SER 72 N -2.36 6.71 0.46 1.61 0.15 -1.01 -5.06 113.70 114.20 3kam s SER 72 Ca 0.00 1.41 0.08 0.00 0.70 0.00 0.00 55.95 58.14 3kam s SER 72 Cb 0.00 -2.43 0.01 0.00 -1.71 0.00 0.00 66.02 61.89 3kam s SER 72 CO 0.00 -0.39 0.49 -0.13 1.20 0.00 0.00 173.24 174.41 3kam s ARG 73 N -3.53 2.52 -0.38 5.44 1.81 -0.67 -5.00 118.95 119.14 3kam s ARG 73 Ca 0.56 -1.56 0.10 0.00 -1.72 0.00 0.00 55.73 53.12 3kam s ARG 73 Cb -0.10 -2.46 0.31 0.00 -0.45 0.00 0.00 34.95 32.25 3kam s ARG 73 CO 0.24 -0.38 0.67 -1.71 -0.68 0.00 0.00 175.30 173.44 3kam n ASN 74 N -1.76 0.46 0.25 0.23 4.05 -1.13 -3.50 115.26 113.87 3kam n ASN 74 Ca 0.06 -2.93 0.14 0.00 0.45 0.00 0.00 54.58 52.30 3kam n ASN 74 Cb 0.61 -0.52 0.56 0.00 1.23 0.00 0.00 39.78 41.67 3kam n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3kam h LEU 75 N 3.35 0.00 -0.43 1.20 4.07 -1.04 -1.04 115.31 121.42 3kam h LEU 75 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3kam h LEU 75 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 3kam h LEU 75 CO 0.47 0.08 -0.17 0.00 -1.08 0.00 0.00 178.44 177.75 3kam n ASN 77 N -0.69 -2.45 -3.79 0.00 3.02 -0.40 -4.99 115.26 105.96 3kam n ASN 77 Ca 0.14 -0.91 -0.13 0.00 -0.03 0.00 0.00 54.58 53.65 3kam n ASN 77 Cb 0.32 -3.71 -0.09 0.00 -0.61 0.00 0.00 39.78 35.68 3kam n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3kam s ILE 78 N -3.66 0.06 0.31 2.41 -4.36 -1.26 -5.07 121.20 109.62 3kam s ILE 78 Ca 0.16 -0.47 -0.29 0.00 -0.26 0.00 0.00 60.65 59.79 3kam s ILE 78 Cb -0.05 -0.55 -0.10 0.00 1.25 0.00 0.00 42.46 43.01 3kam s ILE 78 CO 0.84 -0.26 1.31 -2.16 0.24 0.00 0.00 174.94 174.92 3kam s PRO 79 N -1.17 4.36 0.46 0.37 0.04 -1.26 -1.48 135.00 136.32 3kam s PRO 79 Ca -0.12 2.19 0.17 0.00 0.04 0.00 0.00 61.00 63.28 3kam s PRO 79 Cb -0.05 -3.09 1.13 0.00 0.04 0.00 0.00 34.50 32.53 3kam s PRO 79 CO 0.03 -0.20 1.99 0.00 0.04 0.00 0.00 177.00 178.86 3kam h SER 81 N 0.28 0.24 -0.04 0.00 4.64 -1.91 -0.01 113.55 116.76 3kam h SER 81 Ca 0.25 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.62 3kam h SER 81 Cb 0.62 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3kam h SER 81 CO -0.06 0.08 0.04 0.00 -0.87 0.00 0.00 176.83 176.02 3kam h ALA 82 N 1.58 1.68 0.00 5.18 0.00 -1.44 -1.26 119.26 124.99 3kam h ALA 82 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3kam h ALA 82 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3kam h ALA 82 CO -0.13 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.35 3kam n LEU 83 N -3.99 0.00 -0.61 0.00 4.77 -0.02 -3.34 117.00 113.81 3kam n LEU 83 Ca -0.02 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.03 3kam n LEU 83 Cb 0.13 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.31 3kam n LEU 83 CO 0.29 0.00 0.52 0.18 -1.33 0.00 0.00 177.39 177.05 3kam n LEU 84 N -0.95 2.40 -4.75 2.23 4.77 -0.48 -3.91 117.00 116.32 3kam n LEU 84 Ca 0.19 -1.27 -0.36 0.00 -0.03 0.00 0.00 56.01 54.55 3kam n LEU 84 Cb 0.09 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3kam n LEU 84 CO 0.14 0.50 0.83 -0.55 -1.33 0.00 0.00 177.39 176.98 3kam s SER 85 N -1.10 5.03 0.54 -1.43 0.15 -1.21 -4.17 113.70 111.51 3kam s SER 85 Ca 0.19 2.37 0.27 0.00 0.70 0.00 0.00 55.95 59.49 3kam s SER 85 Cb 0.12 -2.60 1.56 0.00 -1.71 0.00 0.00 66.02 63.39 3kam s SER 85 CO 0.18 -1.70 2.13 0.77 1.20 0.00 0.00 173.24 175.82 3kam h SER 86 N 0.67 0.00 -3.40 5.45 4.64 -1.94 -3.40 113.55 115.58 3kam h SER 86 Ca -0.50 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.23 3kam h SER 86 Cb 1.30 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.30 3kam h SER 86 CO 0.54 0.08 0.13 -0.62 -0.87 0.00 0.00 176.83 176.09 3kam s ASP 87 N -6.21 6.74 0.00 4.97 -1.08 -1.26 -4.94 116.67 114.88 3kam s ASP 87 Ca -0.04 0.89 0.24 0.00 -0.52 0.00 0.00 52.55 53.13 3kam s ASP 87 Cb 0.14 -2.36 1.02 0.00 -1.46 0.00 0.00 42.92 40.26 3kam s ASP 87 CO 0.58 -0.26 1.71 2.30 0.52 0.00 0.00 175.17 180.02 3kam n ILE 88 N 4.57 0.09 -0.14 4.11 -5.35 -1.26 -4.39 119.36 116.99 3kam n ILE 88 Ca -0.01 -0.24 -0.06 0.00 -0.27 0.00 0.00 62.75 62.18 3kam n ILE 88 Cb 0.50 0.25 0.01 0.00 -1.74 0.00 0.00 39.64 38.65 3kam n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3kam h THR 89 N 1.77 0.30 -0.66 7.28 2.02 -1.94 -0.62 112.91 121.05 3kam h THR 89 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 3kam h THR 89 Cb 0.38 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3kam h THR 89 CO 0.00 0.00 0.42 0.00 0.37 0.00 0.00 175.52 176.31 3kam h ALA 90 N 1.04 0.86 -0.44 6.16 0.00 -1.84 0.44 119.26 125.47 3kam h ALA 90 Ca 0.21 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3kam h ALA 90 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kam h ALA 90 CO -0.55 0.20 -0.02 0.77 0.00 0.00 0.00 179.25 179.65 3kam h SER 91 N 0.84 0.78 -0.06 0.00 0.02 -1.67 -1.32 113.55 112.13 3kam h SER 91 Ca 0.26 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3kam h SER 91 Cb -0.02 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 3kam h SER 91 CO -0.09 0.91 0.02 0.58 -1.14 0.00 0.00 176.83 177.12 3kam h VAL 92 N 0.63 1.14 -0.93 2.27 2.07 -0.77 0.53 116.25 121.19 3kam h VAL 92 Ca 0.12 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3kam h VAL 92 Cb 0.52 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3kam h VAL 92 CO 0.03 0.12 0.60 0.78 0.02 0.00 0.00 177.57 179.12 3kam h ASN 93 N -0.06 1.08 -0.17 0.57 2.35 -0.76 -0.79 115.58 117.79 3kam h ASN 93 Ca 0.02 -0.04 -0.22 0.00 -0.55 0.00 0.00 56.30 55.51 3kam h ASN 93 Cb 0.16 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.27 3kam h ASN 93 CO -0.00 0.79 -0.75 0.00 -1.65 0.00 0.00 177.43 175.82 3kam h ALA 95 N 0.57 1.69 -0.95 0.00 0.00 -0.44 -1.20 119.26 118.94 3kam h ALA 95 Ca -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3kam h ALA 95 Cb 1.38 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 3kam h ALA 95 CO 0.16 0.27 0.63 0.87 0.00 0.00 0.00 179.25 181.18 3kam h LYS 96 N 0.53 1.23 -0.39 0.00 1.57 -1.06 -0.70 116.57 117.76 3kam h LYS 96 Ca 0.14 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3kam h LYS 96 Cb -0.04 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 31.98 3kam h LYS 96 CO -0.03 0.82 0.02 0.87 -0.57 0.00 0.00 179.45 180.56 3kam h LYS 97 N 1.27 0.67 0.15 3.15 1.57 -1.22 -2.74 116.57 119.42 3kam h LYS 97 Ca 0.35 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3kam h LYS 97 Cb -0.12 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3kam h LYS 97 CO -0.08 0.76 -0.07 0.82 -0.57 0.00 0.00 179.45 180.30 3kam h ILE 98 N 0.50 0.86 0.00 1.86 2.04 -0.95 -2.50 117.51 119.32 3kam h ILE 98 Ca 0.11 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.94 3kam h ILE 98 Cb 0.44 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3kam h ILE 98 CO 0.02 0.01 0.00 1.62 0.00 0.00 0.00 178.15 179.79 3kam h VAL 99 N -0.22 0.00 -0.00 1.67 3.04 -1.19 -2.09 116.25 117.46 3kam h VAL 99 Ca -0.02 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 3kam h VAL 99 Cb 0.17 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 3kam h VAL 99 CO 0.03 0.00 -0.39 -1.20 -1.01 0.00 0.00 177.57 175.01 3kam n SER 100 N -2.54 0.70 -0.05 3.17 7.64 -0.97 -3.70 113.62 117.87 3kam n SER 100 Ca 0.00 -0.50 0.06 0.00 1.01 0.00 0.00 58.87 59.44 3kam n SER 100 Cb 0.19 0.19 0.32 0.00 -1.01 0.00 0.00 64.21 63.89 3kam n SER 100 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3kam n ASP 101 N -1.15 0.15 0.00 6.43 5.68 -0.79 -4.87 116.55 122.00 3kam n ASP 101 Ca 0.08 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.70 3kam n ASP 101 Cb 0.34 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 3kam n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kam n GLY 102 N 0.70 1.03 0.93 6.12 0.00 -1.26 -4.95 105.19 107.77 3kam n GLY 102 Ca 0.09 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.00 3kam n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kam n ASN 103 N 0.00 3.50 0.00 1.61 3.02 -1.26 -5.06 115.26 117.06 3kam n ASN 103 Ca 0.00 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.36 3kam n ASN 103 Cb 0.00 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 3kam n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kam n GLY 104 N 0.68 2.70 0.02 7.41 0.00 -1.24 -2.19 105.19 112.57 3kam n GLY 104 Ca 0.17 -0.38 0.16 0.00 0.00 0.00 0.00 46.02 45.97 3kam n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kam n MET 105 N 12.41 1.03 0.11 1.61 2.81 -1.26 -3.14 117.12 130.69 3kam n MET 105 Ca 0.00 -0.05 0.10 0.00 -1.81 0.00 0.00 57.70 55.94 3kam n MET 105 Cb 0.00 -1.49 0.45 0.00 -0.71 0.00 0.00 33.22 31.46 3kam n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kam n ASN 106 N -0.94 0.48 0.20 7.83 3.02 -0.93 -1.08 115.26 123.85 3kam n ASN 106 Ca 0.24 0.66 0.15 0.00 -0.03 0.00 0.00 54.58 55.59 3kam n ASN 106 Cb 0.12 -0.74 0.76 0.00 -0.61 0.00 0.00 39.78 39.31 3kam n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kam h ALA 107 N 2.19 1.94 -2.32 5.41 0.00 -1.71 -3.37 119.26 121.41 3kam h ALA 107 Ca 0.00 -0.01 -0.74 0.00 0.00 0.00 0.00 54.91 54.17 3kam h ALA 107 Cb 0.21 0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.78 3kam h ALA 107 CO 0.00 -0.23 -0.34 -1.58 0.00 0.00 0.00 179.25 177.11 3kam s TRP 108 N -4.83 3.25 0.25 0.00 0.51 -0.24 -4.97 118.94 112.91 3kam s TRP 108 Ca -0.05 -0.94 -0.04 0.00 -2.12 0.00 0.00 56.10 52.95 3kam s TRP 108 Cb 0.17 -3.15 0.34 0.00 -0.81 0.00 0.00 33.47 30.01 3kam s TRP 108 CO 0.62 -0.79 1.88 -0.24 -0.51 0.00 0.00 176.95 177.90 3kam h VAL 109 N 5.76 1.11 -0.61 4.03 3.04 -1.84 -0.42 116.25 127.33 3kam h VAL 109 Ca -0.28 -0.39 -0.05 0.00 -1.01 0.00 0.00 66.70 64.97 3kam h VAL 109 Cb 1.11 -0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 30.23 3kam h VAL 109 CO 0.87 0.21 0.20 0.00 -1.01 0.00 0.00 177.57 177.84 3kam h ALA 110 N 1.41 1.20 -0.33 3.17 0.00 -1.93 -0.74 119.26 122.05 3kam h ALA 110 Ca 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kam h ALA 110 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3kam h ALA 110 CO -0.15 0.56 0.22 2.35 0.00 0.00 0.00 179.25 182.23 3kam h TRP 111 N 0.89 0.41 -0.66 0.00 7.01 -1.43 0.87 115.95 123.05 3kam h TRP 111 Ca 0.20 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.25 3kam h TRP 111 Cb 0.25 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.12 3kam h TRP 111 CO 0.02 0.26 0.39 -0.09 -2.79 0.00 0.00 178.44 176.23 3kam h ARG 112 N 0.44 0.73 0.00 2.65 2.43 -0.52 0.10 114.38 120.22 3kam h ARG 112 Ca 0.12 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 3kam h ARG 112 Cb -0.05 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 3kam h ARG 112 CO -0.03 0.48 -0.89 -0.91 -1.51 0.00 0.00 179.97 177.12 3kam h ASN 113 N 0.75 0.00 0.00 -3.80 2.35 -1.07 -3.36 115.58 110.46 3kam h ASN 113 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3kam h ASN 113 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3kam h ASN 113 CO -0.13 0.30 -0.50 0.54 -1.65 0.00 0.00 177.43 175.99 3kam n ARG 114 N -2.93 2.78 -0.02 0.81 1.74 0.29 -4.91 116.66 114.43 3kam n ARG 114 Ca -0.02 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.02 3kam n ARG 114 Cb 0.68 -0.71 -0.01 0.00 -1.02 0.00 0.00 32.46 31.40 3kam n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kam n LYS 116 N -3.00 0.84 0.00 0.00 4.81 0.17 -1.18 118.16 119.81 3kam n LYS 116 Ca -0.07 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 3kam n LYS 116 Cb 0.55 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.68 3kam n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kam n GLY 117 N 2.92 2.60 3.94 3.14 0.00 -1.26 -4.96 105.19 111.57 3kam n GLY 117 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 3kam n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kam s THR 118 N -2.29 2.12 -1.31 2.61 -4.23 -0.32 -4.95 115.64 107.28 3kam s THR 118 Ca 0.00 -0.22 -0.18 0.00 -1.18 0.00 0.00 61.69 60.11 3kam s THR 118 Cb 0.00 -2.90 0.04 0.00 1.34 0.00 0.00 72.50 70.98 3kam s THR 118 CO 0.00 0.00 1.88 -0.67 -0.54 0.00 0.00 174.62 175.29 3kam n ASP 119 N -3.23 4.42 0.28 3.99 2.03 -1.26 -4.75 116.55 118.02 3kam n ASP 119 Ca 0.12 -2.87 0.16 0.00 0.52 0.00 0.00 54.79 52.72 3kam n ASP 119 Cb 0.60 -1.70 0.74 0.00 -0.72 0.00 0.00 41.12 40.03 3kam n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3kam h VAL 120 N 5.21 0.16 -0.02 5.18 -1.51 -1.90 -2.60 116.25 120.78 3kam h VAL 120 Ca 0.46 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 3kam h VAL 120 Cb 0.81 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 31.43 3kam h VAL 120 CO 1.56 0.05 0.01 -0.61 -1.23 0.00 0.00 177.57 177.35 3kam h GLN 121 N 0.00 0.00 -0.85 5.19 4.15 -1.88 -1.61 115.11 120.11 3kam h GLN 121 Ca -0.00 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.60 3kam h GLN 121 Cb 0.45 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.08 3kam h GLN 121 CO 0.01 0.00 0.56 0.00 -1.93 0.00 0.00 178.83 177.47 3kam h ALA 122 N 1.99 2.14 0.00 3.38 0.00 -1.86 -1.65 119.26 123.25 3kam h ALA 122 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kam h ALA 122 Cb 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kam h ALA 122 CO -0.00 -0.39 -0.05 -1.49 0.00 0.00 0.00 179.25 177.32 3kam h TRP 123 N 0.44 0.00 -0.26 0.00 4.06 -1.51 -2.18 115.95 116.50 3kam h TRP 123 Ca 0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.38 3kam h TRP 123 Cb 1.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 3kam h TRP 123 CO -0.00 0.05 0.00 0.44 -3.56 0.00 0.00 178.44 175.36 3kam n ILE 124 N -3.31 0.76 -1.79 1.49 -5.35 -0.65 -4.76 119.36 105.75 3kam n ILE 124 Ca -0.01 -0.88 -0.42 0.00 -0.27 0.00 0.00 62.75 61.17 3kam n ILE 124 Cb 0.20 0.68 -0.03 0.00 -1.74 0.00 0.00 39.64 38.75 3kam n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3kam s ARG 125 N -0.97 4.16 0.00 6.28 3.52 -0.82 -2.20 118.95 128.91 3kam s ARG 125 Ca 0.20 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.30 3kam s ARG 125 Cb 0.11 -3.56 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3kam s ARG 125 CO 0.15 -0.80 0.00 0.41 -0.81 0.00 0.00 175.30 174.25 3kam n GLY 126 N 4.13 1.66 3.72 8.12 0.00 -1.26 -5.02 105.19 116.55 3kam n GLY 126 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3kam n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kam s ARG 128 N 0.33 3.88 0.00 0.00 3.52 -1.26 -5.12 118.95 120.30 3kam s ARG 128 Ca 0.51 0.78 0.11 0.00 -0.13 0.00 0.00 55.73 56.99 3kam s ARG 128 Cb -0.25 -3.82 0.08 0.00 -1.56 0.00 0.00 34.95 29.40 3kam s ARG 128 CO 0.31 -1.11 0.83 1.28 -0.81 0.00 0.00 175.30 175.80