#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2k s VAL 2 N 0.00 4.18 0.57 3.15 1.01 -1.26 -0.63 120.40 127.43 1b2k s VAL 2 Ca 0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 1b2k s VAL 2 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1b2k s VAL 2 CO 0.00 0.07 1.02 -0.36 0.00 0.00 0.00 175.10 175.83 1b2k s PHE 3 N 1.54 3.31 0.40 5.22 0.40 0.18 -5.00 117.98 124.02 1b2k s PHE 3 Ca 0.03 1.45 -0.08 0.00 -0.60 0.00 0.00 56.93 57.73 1b2k s PHE 3 Cb -0.17 -2.85 -0.06 0.00 0.51 0.00 0.00 43.02 40.45 1b2k s PHE 3 CO 0.04 -0.73 0.73 0.20 0.70 0.00 0.00 175.22 176.16 1b2k s GLY 4 N -3.22 1.83 0.11 4.36 0.00 -1.26 -4.87 107.32 104.26 1b2k s GLY 4 Ca 0.60 -0.34 -0.29 0.00 0.00 0.00 0.00 44.72 44.69 1b2k s GLY 4 CO 0.39 -0.17 1.61 -0.09 0.00 0.00 0.00 173.10 174.84 1b2k h ARG 5 N 1.12 -0.58 0.00 2.90 2.43 -1.97 -0.68 114.38 117.60 1b2k h ARG 5 Ca -0.47 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.65 1b2k h ARG 5 Cb 1.19 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1b2k h ARG 5 CO 0.64 -0.39 -0.40 0.00 -1.51 0.00 0.00 179.97 178.31 1b2k h GLU 7 N 0.00 0.58 -0.32 0.00 4.81 -1.87 -0.51 114.58 117.28 1b2k h GLU 7 Ca -0.00 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1b2k h GLU 7 Cb 0.91 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1b2k h GLU 7 CO 0.05 0.56 -0.09 1.25 -0.73 0.00 0.00 179.01 180.05 1b2k h LEU 8 N 0.48 0.63 -0.75 1.64 5.85 -0.98 -2.42 115.31 119.76 1b2k h LEU 8 Ca 0.13 -0.37 0.09 0.00 0.84 0.00 0.00 57.88 58.57 1b2k h LEU 8 Cb 0.20 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1b2k h LEU 8 CO -0.01 0.85 0.41 0.00 -0.34 0.00 0.00 178.44 179.35 1b2k h ALA 9 N 0.79 1.05 -0.20 1.25 0.00 -1.10 0.67 119.26 121.72 1b2k h ALA 9 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1b2k h ALA 9 Cb 0.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1b2k h ALA 9 CO 0.03 0.03 0.10 0.00 0.00 0.00 0.00 179.25 179.41 1b2k h ALA 10 N 1.43 0.26 -0.65 0.00 0.00 -0.95 -0.64 119.26 118.70 1b2k h ALA 10 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1b2k h ALA 10 Cb 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1b2k h ALA 10 CO -0.24 -0.18 0.41 0.00 0.00 0.00 0.00 179.25 179.23 1b2k h ALA 11 N 0.96 0.82 -0.64 0.00 0.00 -0.89 -1.36 119.26 118.15 1b2k h ALA 11 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1b2k h ALA 11 Cb 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1b2k h ALA 11 CO -0.01 0.28 0.13 0.52 0.00 0.00 0.00 179.25 180.17 1b2k h MET 12 N 0.88 1.04 -0.62 0.00 2.86 -0.68 -2.03 114.93 116.38 1b2k h MET 12 Ca 0.23 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1b2k h MET 12 Cb -0.06 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 1b2k h MET 12 CO -0.05 0.95 0.22 -0.22 1.06 0.00 0.00 176.91 178.88 1b2k h LYS 13 N 0.96 0.95 -0.67 1.72 3.64 -0.80 -1.33 116.57 121.03 1b2k h LYS 13 Ca 0.20 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1b2k h LYS 13 Cb 0.40 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1b2k h LYS 13 CO 0.01 0.82 0.34 -0.09 -2.27 0.00 0.00 179.45 178.26 1b2k h ARG 14 N 0.88 0.94 -0.05 1.90 2.43 -1.04 -1.10 114.38 118.35 1b2k h ARG 14 Ca 0.20 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1b2k h ARG 14 Cb 0.25 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1b2k h ARG 14 CO -0.01 0.71 0.00 0.72 -1.51 0.00 0.00 179.97 179.88 1b2k n HIS 15 N -4.36 0.06 -1.87 2.20 8.25 -0.78 -4.90 115.22 113.83 1b2k n HIS 15 Ca 0.06 -0.03 -0.05 0.00 -0.26 0.00 0.00 57.72 57.45 1b2k n HIS 15 Cb 0.12 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1b2k n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b2k n GLY 16 N 0.62 0.31 0.16 -1.41 0.00 -0.42 -4.96 105.19 99.48 1b2k n GLY 16 Ca 0.03 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.45 1b2k n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b2k h LEU 17 N 0.00 0.00 -9.01 0.99 3.38 -1.43 -3.40 115.31 105.85 1b2k h LEU 17 Ca -0.11 -0.03 -0.57 0.00 0.09 0.00 0.00 57.88 57.26 1b2k h LEU 17 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1b2k h LEU 17 CO 0.14 0.01 1.28 -0.62 0.09 0.00 0.00 178.44 179.34 1b2k s ASP 18 N -5.47 6.00 -0.30 -0.43 2.15 -1.26 -1.89 116.67 115.46 1b2k s ASP 18 Ca 0.06 1.71 0.00 0.00 0.43 0.00 0.00 52.55 54.74 1b2k s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1b2k s ASP 18 CO 0.69 -1.56 0.00 0.59 -0.17 0.00 0.00 175.17 174.73 1b2k n ASN 19 N 9.76 -4.18 -4.68 -0.34 3.02 0.01 -4.82 115.26 114.03 1b2k n ASN 19 Ca 0.23 0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.43 1b2k n ASN 19 Cb 0.45 -1.93 -0.03 0.00 -0.61 0.00 0.00 39.78 37.66 1b2k n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b2k s TYR 20 N -1.83 2.27 -1.90 3.10 5.04 -0.79 -0.88 117.35 122.37 1b2k s TYR 20 Ca 0.00 0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 1b2k s TYR 20 Cb 0.00 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.31 1b2k s TYR 20 CO 0.00 -4.08 0.00 0.54 -1.34 0.00 0.00 175.55 170.67 1b2k n ARG 21 N 5.89 -1.58 -0.89 4.97 5.12 -1.26 -2.07 116.66 126.83 1b2k n ARG 21 Ca 0.16 1.07 0.00 0.00 -1.93 0.00 0.00 57.85 57.15 1b2k n ARG 21 Cb 0.40 -5.63 0.00 0.00 -1.16 0.00 0.00 32.46 26.07 1b2k n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b2k n GLY 22 N -0.84 0.60 3.36 -0.13 0.00 -0.06 -5.02 105.19 103.10 1b2k n GLY 22 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1b2k n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b2k s TYR 23 N -2.21 3.21 0.80 1.61 2.02 -0.88 -4.92 117.35 116.98 1b2k s TYR 23 Ca 0.00 -0.97 -0.13 0.00 -0.37 0.00 0.00 57.07 55.60 1b2k s TYR 23 Cb 0.00 -2.35 0.08 0.00 -0.40 0.00 0.00 41.96 39.29 1b2k s TYR 23 CO 0.00 -0.60 1.19 -1.54 -1.57 0.00 0.00 175.55 173.03 1b2k s SER 24 N 1.53 3.67 0.33 2.29 1.04 -1.26 -0.81 113.70 120.49 1b2k s SER 24 Ca 0.02 2.32 0.11 0.00 0.48 0.00 0.00 55.95 58.88 1b2k s SER 24 Cb -0.18 -2.58 0.96 0.00 0.10 0.00 0.00 66.02 64.32 1b2k s SER 24 CO 0.05 -2.61 1.68 0.25 0.98 0.00 0.00 173.24 173.59 1b2k h LEU 25 N -0.90 0.49 -1.31 2.42 5.85 -1.88 0.44 115.31 120.42 1b2k h LEU 25 Ca -0.46 0.17 0.16 0.00 0.84 0.00 0.00 57.88 58.59 1b2k h LEU 25 Cb 1.29 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.37 1b2k h LEU 25 CO 0.46 -0.06 0.58 1.23 -0.34 0.00 0.00 178.44 180.31 1b2k h GLY 26 N 0.39 1.18 1.00 3.75 0.00 -1.90 -0.16 103.07 107.33 1b2k h GLY 26 Ca 0.68 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1b2k h GLY 26 CO -0.57 0.06 0.37 3.43 0.00 0.00 0.00 176.54 179.84 1b2k h ASN 27 N 0.65 0.78 -0.25 0.19 2.35 -1.12 -0.27 115.58 117.90 1b2k h ASN 27 Ca 0.46 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 56.07 1b2k h ASN 27 Cb 0.81 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1b2k h ASN 27 CO -0.21 0.62 -0.12 -0.50 -1.65 0.00 0.00 177.43 175.57 1b2k h TRP 28 N 0.87 0.60 -0.52 1.19 4.06 -1.12 -0.48 115.95 120.55 1b2k h TRP 28 Ca 0.23 -0.15 -0.03 0.00 2.06 0.00 0.00 58.89 61.00 1b2k h TRP 28 Cb -0.00 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 27.99 1b2k h TRP 28 CO -0.01 0.78 0.21 0.28 -3.56 0.00 0.00 178.44 176.14 1b2k h VAL 29 N 0.25 1.22 -0.82 1.49 2.07 -1.12 -1.19 116.25 118.15 1b2k h VAL 29 Ca 0.06 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1b2k h VAL 29 Cb 0.62 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1b2k h VAL 29 CO 0.04 0.26 0.44 0.00 0.02 0.00 0.00 177.57 178.32 1b2k h ALA 31 N 1.23 0.19 -0.92 0.00 0.00 -0.74 -2.62 119.26 116.40 1b2k h ALA 31 Ca 0.29 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1b2k h ALA 31 Cb 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1b2k h ALA 31 CO -0.05 -0.22 0.60 0.00 0.00 0.00 0.00 179.25 179.59 1b2k h ALA 32 N 0.89 1.40 0.21 0.00 0.00 -0.94 0.15 119.26 120.97 1b2k h ALA 32 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1b2k h ALA 32 Cb 0.18 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1b2k h ALA 32 CO -0.00 0.52 -0.10 -0.22 0.00 0.00 0.00 179.25 179.45 1b2k h LYS 33 N 1.18 -0.27 0.00 0.00 1.63 -0.94 -1.17 116.57 117.00 1b2k h LYS 33 Ca 0.36 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.18 1b2k h LYS 33 Cb -0.02 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1b2k h LYS 33 CO -0.10 -0.17 -0.40 0.74 -3.45 0.00 0.00 179.45 176.07 1b2k h PHE 34 N -0.29 0.00 0.14 1.91 0.04 -1.28 0.24 116.94 117.70 1b2k h PHE 34 Ca -0.03 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.48 1b2k h PHE 34 Cb 0.22 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.38 1b2k h PHE 34 CO -0.06 0.00 -1.26 0.93 -0.60 0.00 0.00 178.31 177.32 1b2k h GLU 35 N 0.00 0.29 0.00 1.51 4.39 -0.65 -3.43 114.58 116.69 1b2k h GLU 35 Ca 0.00 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1b2k h GLU 35 Cb 0.76 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1b2k h GLU 35 CO 0.00 1.24 0.00 -1.13 -1.16 0.00 0.00 179.01 177.96 1b2k n SER 36 N -3.95 0.19 -2.72 1.42 3.41 -0.51 -4.81 113.62 106.65 1b2k n SER 36 Ca -0.21 -0.91 -0.20 0.00 -0.26 0.00 0.00 58.87 57.29 1b2k n SER 36 Cb 0.90 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.91 1b2k n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1b2k n ASN 37 N -0.02 -5.73 -0.74 4.04 2.85 0.84 -1.76 115.26 114.74 1b2k n ASN 37 Ca 0.00 -0.25 -0.10 0.00 -0.11 0.00 0.00 54.58 54.13 1b2k n ASN 37 Cb 0.18 -4.57 -0.04 0.00 1.24 0.00 0.00 39.78 36.58 1b2k n ASN 37 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1b2k n PHE 38 N -4.39 0.00 -3.34 1.20 3.72 -1.16 -4.83 117.46 108.66 1b2k n PHE 38 Ca -0.11 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 1b2k n PHE 38 Cb 0.61 -2.13 -0.09 0.00 -0.94 0.00 0.00 39.48 36.94 1b2k n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1b2k s ASN 39 N -2.59 6.19 0.43 4.37 3.84 -0.72 -0.65 114.94 125.82 1b2k s ASN 39 Ca 0.00 -0.55 0.30 0.00 0.21 0.00 0.00 52.86 52.82 1b2k s ASN 39 Cb 0.00 -2.22 1.44 0.00 -0.55 0.00 0.00 41.25 39.93 1b2k s ASN 39 CO 0.00 -0.52 1.90 0.71 -2.79 0.00 0.00 177.10 176.41 1b2k h THR 40 N 5.68 0.00 -0.61 -5.21 1.35 -1.19 -2.61 112.91 110.32 1b2k h THR 40 Ca -0.27 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1b2k h THR 40 Cb 1.12 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1b2k h THR 40 CO 0.77 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.04 1b2k n GLN 41 N -2.61 2.94 -2.01 4.72 6.02 -1.26 -3.97 117.38 121.20 1b2k n GLN 41 Ca -0.00 -2.55 -0.41 0.00 -0.01 0.00 0.00 57.00 54.03 1b2k n GLN 41 Cb 0.16 -1.55 -0.02 0.00 1.02 0.00 0.00 30.24 29.84 1b2k n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b2k s ALA 42 N -1.19 3.62 -0.05 -1.58 0.00 -0.98 -4.80 121.76 116.76 1b2k s ALA 42 Ca 0.42 1.33 -0.03 0.00 0.00 0.00 0.00 51.96 53.69 1b2k s ALA 42 Cb 0.23 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.83 1b2k s ALA 42 CO 0.27 -0.75 0.12 0.95 0.00 0.00 0.00 175.76 176.35 1b2k s THR 43 N -0.15 -0.04 -0.08 0.00 -4.23 -1.26 -0.90 115.64 108.99 1b2k s THR 43 Ca 0.58 0.13 0.02 0.00 -1.18 0.00 0.00 61.69 61.24 1b2k s THR 43 Cb -0.42 -0.20 0.01 0.00 1.34 0.00 0.00 72.50 73.24 1b2k s THR 43 CO 0.45 0.05 -0.13 0.21 -0.54 0.00 0.00 174.62 174.66 1b2k s ASN 44 N 0.82 2.02 -0.07 3.99 2.47 -0.67 -4.97 114.94 118.53 1b2k s ASN 44 Ca -0.06 -0.34 -0.21 0.00 0.42 0.00 0.00 52.86 52.67 1b2k s ASN 44 Cb -0.08 -0.91 -0.04 0.00 -1.45 0.00 0.00 41.25 38.76 1b2k s ASN 44 CO -0.04 0.03 0.61 -0.13 -3.72 0.00 0.00 177.10 173.85 1b2k s ARG 45 N 0.79 4.38 0.09 0.43 3.00 -1.26 -0.54 118.95 125.84 1b2k s ARG 45 Ca -0.12 0.72 -0.04 0.00 0.00 0.00 0.00 55.73 56.30 1b2k s ARG 45 Cb -0.16 -3.42 -0.05 0.00 0.00 0.00 0.00 34.95 31.33 1b2k s ARG 45 CO 0.02 0.16 0.31 -0.80 0.00 0.00 0.00 175.30 174.99 1b2k s ASN 46 N 0.52 6.46 0.00 0.23 0.02 0.66 -4.97 114.94 117.85 1b2k s ASN 46 Ca 0.33 0.50 0.04 0.00 -1.02 0.00 0.00 52.86 52.71 1b2k s ASN 46 Cb -0.17 -2.06 0.18 0.00 0.02 0.00 0.00 41.25 39.22 1b2k s ASN 46 CO 0.16 0.13 1.03 0.35 0.02 0.00 0.00 177.10 178.78 1b2k n THR 47 N 0.37 1.34 0.14 1.60 -2.24 -1.26 -1.66 114.28 112.56 1b2k n THR 47 Ca -0.05 0.34 0.09 0.00 -2.27 0.00 0.00 64.05 62.16 1b2k n THR 47 Cb 0.52 -1.27 0.26 0.00 -2.10 0.00 0.00 70.33 67.73 1b2k n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b2k n ASP 48 N -1.39 3.15 0.00 3.42 5.68 -1.26 -4.91 116.55 121.24 1b2k n ASP 48 Ca 0.01 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 1b2k n ASP 48 Cb 0.04 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 1b2k n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b2k n GLY 49 N 1.39 1.49 3.98 6.12 0.00 -0.67 -4.94 105.19 112.56 1b2k n GLY 49 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1b2k n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b2k s SER 50 N -3.13 5.67 0.02 1.61 1.04 -1.25 -4.60 113.70 113.05 1b2k s SER 50 Ca 0.00 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.41 1b2k s SER 50 Cb 0.00 -1.12 -0.01 0.00 0.10 0.00 0.00 66.02 64.99 1b2k s SER 50 CO 0.00 -0.78 -0.04 -0.89 0.98 0.00 0.00 173.24 172.50 1b2k s THR 51 N -2.50 0.28 -0.19 2.02 2.01 -1.26 -0.25 115.64 115.75 1b2k s THR 51 Ca 0.51 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 1b2k s THR 51 Cb -0.10 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 1b2k s THR 51 CO 0.36 -0.19 0.18 -1.81 -0.69 0.00 0.00 174.62 172.47 1b2k s ASP 52 N -0.80 6.27 -0.04 3.53 1.01 0.29 -0.90 116.67 126.03 1b2k s ASP 52 Ca -0.06 0.30 0.06 0.00 0.71 0.00 0.00 52.55 53.57 1b2k s ASP 52 Cb -0.06 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 1b2k s ASP 52 CO -0.00 0.14 -0.23 -0.31 0.21 0.00 0.00 175.17 174.98 1b2k s TYR 53 N 0.49 2.45 0.00 4.23 1.51 0.48 -1.68 117.35 124.84 1b2k s TYR 53 Ca 0.11 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1b2k s TYR 53 Cb -0.12 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 1b2k s TYR 53 CO 0.00 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 1b2k n GLY 54 N 2.50 -2.07 0.39 0.71 0.00 -0.08 -1.19 105.19 105.46 1b2k n GLY 54 Ca -0.17 -1.42 0.18 0.00 0.00 0.00 0.00 46.02 44.61 1b2k n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b2k h ILE 55 N -0.01 0.74 -0.30 -0.61 6.09 -1.69 -1.20 117.51 120.54 1b2k h ILE 55 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1b2k h ILE 55 Cb 0.01 0.39 0.00 0.00 0.47 0.00 0.00 36.82 37.69 1b2k h ILE 55 CO 0.00 0.06 0.00 0.18 -3.07 0.00 0.00 178.15 175.32 1b2k n LEU 56 N -4.46 3.55 -3.98 2.19 4.77 -1.26 -4.04 117.00 113.77 1b2k n LEU 56 Ca 0.15 -2.61 -0.43 0.00 -0.03 0.00 0.00 56.01 53.09 1b2k n LEU 56 Cb 0.61 -0.42 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1b2k n LEU 56 CO 0.33 0.70 -0.15 0.00 -1.33 0.00 0.00 177.39 176.94 1b2k n GLN 57 N -0.08 -0.51 -2.62 3.23 1.13 -0.45 -4.89 117.38 113.19 1b2k n GLN 57 Ca 0.18 0.17 -0.41 0.00 -1.94 0.00 0.00 57.00 54.99 1b2k n GLN 57 Cb 0.71 -2.95 -0.04 0.00 0.11 0.00 0.00 30.24 28.08 1b2k n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b2k s ILE 58 N -3.53 4.35 0.21 5.09 1.01 -0.34 -4.39 121.20 123.61 1b2k s ILE 58 Ca 0.48 1.85 -0.30 0.00 0.00 0.00 0.00 60.65 62.69 1b2k s ILE 58 Cb -0.24 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 37.96 1b2k s ILE 58 CO 0.95 0.23 1.11 0.21 0.00 0.00 0.00 174.94 177.44 1b2k s ASN 59 N 0.40 7.25 0.00 3.58 3.84 -1.26 -0.38 114.94 128.36 1b2k s ASN 59 Ca 0.51 2.16 0.27 0.00 0.21 0.00 0.00 52.86 56.01 1b2k s ASN 59 Cb -0.25 -2.61 1.33 0.00 -0.55 0.00 0.00 41.25 39.17 1b2k s ASN 59 CO 0.31 -0.21 1.92 -1.54 -2.79 0.00 0.00 177.10 174.79 1b2k n SER 60 N 2.02 0.00 0.06 -4.21 3.41 -0.08 -2.45 113.62 112.38 1b2k n SER 60 Ca 0.02 0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 1b2k n SER 60 Cb 0.46 -0.33 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 1b2k n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1b2k h ARG 61 N 0.00 0.16 0.00 4.33 2.43 -1.85 -3.41 114.38 116.04 1b2k h ARG 61 Ca 0.00 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1b2k h ARG 61 Cb 0.30 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1b2k h ARG 61 CO 0.00 1.04 -0.99 0.91 -1.51 0.00 0.00 179.97 179.42 1b2k n TRP 62 N -3.40 0.00 -0.10 2.20 7.02 -1.24 -1.13 117.44 120.79 1b2k n TRP 62 Ca -0.10 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.16 1b2k n TRP 62 Cb 1.01 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.78 1b2k n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1b2k n TRP 63 N -1.99 0.32 -4.24 -5.99 7.02 -1.02 0.95 117.44 112.49 1b2k n TRP 63 Ca 0.00 0.09 -0.16 0.00 -1.02 0.00 0.00 57.50 56.40 1b2k n TRP 63 Cb 0.49 -1.04 -0.11 0.00 -2.42 0.00 0.00 31.31 28.24 1b2k n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1b2k s ASN 65 N -2.66 6.09 -0.04 0.00 2.47 -0.88 -4.41 114.94 115.52 1b2k s ASN 65 Ca 0.11 0.08 0.10 0.00 0.42 0.00 0.00 52.86 53.57 1b2k s ASN 65 Cb -0.03 -2.14 0.27 0.00 -1.45 0.00 0.00 41.25 37.91 1b2k s ASN 65 CO 0.02 -0.06 1.22 -0.90 -3.72 0.00 0.00 177.10 173.66 1b2k n ASP 66 N 4.96 2.83 0.00 -4.21 5.75 -1.26 -1.45 116.55 123.16 1b2k n ASP 66 Ca -0.13 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1b2k n ASP 66 Cb 0.52 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1b2k n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b2k n GLY 67 N 0.01 0.00 0.26 6.12 0.00 -1.26 -4.72 105.19 105.60 1b2k n GLY 67 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 1b2k n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1b2k n ARG 68 N 0.24 0.43 -3.84 1.61 1.85 -1.26 -5.02 116.66 110.67 1b2k n ARG 68 Ca 0.00 -1.13 -0.36 0.00 -1.00 0.00 0.00 57.85 55.36 1b2k n ARG 68 Cb 0.36 -0.69 -0.13 0.00 -1.05 0.00 0.00 32.46 30.95 1b2k n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1b2k s THR 69 N -0.50 3.38 0.42 8.89 2.01 -1.26 -4.92 115.64 123.66 1b2k s THR 69 Ca 0.05 -1.19 -0.26 0.00 0.31 0.00 0.00 61.69 60.60 1b2k s THR 69 Cb 0.04 -2.89 -0.10 0.00 0.01 0.00 0.00 72.50 69.56 1b2k s THR 69 CO 0.00 -0.09 1.36 -2.65 -0.69 0.00 0.00 174.62 172.55 1b2k n PRO 70 N 4.72 2.15 -1.78 4.92 -0.02 -1.26 -2.29 135.00 141.45 1b2k n PRO 70 Ca -0.13 0.76 -0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1b2k n PRO 70 Cb 0.45 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1b2k n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b2k n GLY 71 N 0.68 0.60 3.75 -1.23 0.00 -1.26 -4.98 105.19 102.75 1b2k n GLY 71 Ca 0.05 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1b2k n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b2k s SER 72 N -2.67 5.13 -0.02 1.61 0.01 -0.97 -4.87 113.70 111.93 1b2k s SER 72 Ca 0.00 2.61 0.01 0.00 1.31 0.00 0.00 55.95 59.89 1b2k s SER 72 Cb 0.00 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1b2k s SER 72 CO 0.00 -1.65 0.00 0.54 0.41 0.00 0.00 173.24 172.54 1b2k n ARG 73 N -1.35 2.96 -3.70 12.44 5.12 -0.28 -4.99 116.66 126.86 1b2k n ARG 73 Ca 0.12 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.80 1b2k n ARG 73 Cb 0.47 -1.04 0.03 0.00 -1.16 0.00 0.00 32.46 30.75 1b2k n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1b2k n ASN 74 N -2.17 -2.49 0.29 0.55 5.15 -1.01 -4.86 115.26 110.72 1b2k n ASN 74 Ca -0.03 -0.90 0.16 0.00 -0.60 0.00 0.00 54.58 53.21 1b2k n ASN 74 Cb 0.55 -3.79 0.90 0.00 -0.53 0.00 0.00 39.78 36.91 1b2k n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1b2k h LEU 75 N -1.80 0.00 -1.12 1.20 4.07 0.75 0.07 115.31 118.48 1b2k h LEU 75 Ca -0.63 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.33 1b2k h LEU 75 Cb 1.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.10 1b2k h LEU 75 CO 0.54 0.04 0.00 0.00 -1.08 0.00 0.00 178.44 177.94 1b2k n ASN 77 N 0.35 -4.50 -3.61 0.00 4.05 0.01 -4.99 115.26 106.58 1b2k n ASN 77 Ca 0.18 -1.09 -0.15 0.00 0.45 0.00 0.00 54.58 53.97 1b2k n ASN 77 Cb 0.39 -2.93 -0.07 0.00 1.23 0.00 0.00 39.78 38.40 1b2k n ASN 77 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1b2k s ILE 78 N -3.54 0.01 0.34 -1.44 -5.25 -1.26 -5.08 121.20 104.97 1b2k s ILE 78 Ca 0.43 -0.04 -0.29 0.00 -0.99 0.00 0.00 60.65 59.76 1b2k s ILE 78 Cb -0.18 -0.92 -0.10 0.00 2.95 0.00 0.00 42.46 44.21 1b2k s ILE 78 CO 0.89 -0.02 1.38 -2.16 -1.79 0.00 0.00 174.94 173.23 1b2k s PRO 79 N -0.44 4.27 0.52 0.37 0.04 -1.26 -2.07 135.00 136.43 1b2k s PRO 79 Ca -0.06 2.34 0.17 0.00 0.04 0.00 0.00 61.00 63.48 1b2k s PRO 79 Cb -0.03 -3.04 1.28 0.00 0.04 0.00 0.00 34.50 32.75 1b2k s PRO 79 CO 0.05 -0.32 2.15 0.00 0.04 0.00 0.00 177.00 178.92 1b2k h SER 81 N 0.00 0.24 0.16 0.00 4.64 -1.90 -0.21 113.55 116.47 1b2k h SER 81 Ca 0.01 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1b2k h SER 81 Cb 0.04 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1b2k h SER 81 CO -0.00 0.22 -0.03 0.00 -0.87 0.00 0.00 176.83 176.15 1b2k h ALA 82 N 1.82 1.29 -0.01 5.18 0.00 -1.66 -0.42 119.26 125.46 1b2k h ALA 82 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1b2k h ALA 82 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1b2k h ALA 82 CO -0.01 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1b2k n LEU 83 N -3.55 0.36 -0.92 0.00 4.77 -0.09 -3.15 117.00 114.42 1b2k n LEU 83 Ca -0.02 -0.13 0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1b2k n LEU 83 Cb 0.13 -0.01 0.22 0.00 -2.33 0.00 0.00 43.42 41.44 1b2k n LEU 83 CO 0.26 0.06 0.69 0.18 -1.33 0.00 0.00 177.39 177.25 1b2k n LEU 84 N -0.68 3.45 -4.81 2.23 4.77 -0.17 -3.80 117.00 118.00 1b2k n LEU 84 Ca 0.21 -2.17 -0.30 0.00 -0.03 0.00 0.00 56.01 53.72 1b2k n LEU 84 Cb 0.16 -0.36 0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1b2k n LEU 84 CO 0.16 0.78 0.72 -0.94 -1.33 0.00 0.00 177.39 176.78 1b2k s SER 85 N -1.10 4.34 0.19 -1.43 1.04 -1.19 -4.44 113.70 111.11 1b2k s SER 85 Ca 0.34 1.20 0.02 0.00 0.48 0.00 0.00 55.95 57.99 1b2k s SER 85 Cb 0.20 -1.90 0.07 0.00 0.10 0.00 0.00 66.02 64.49 1b2k s SER 85 CO 0.19 -2.05 1.43 0.28 0.98 0.00 0.00 173.24 174.08 1b2k h SER 86 N -1.15 0.29 -3.38 7.02 0.02 -1.92 -3.42 113.55 111.01 1b2k h SER 86 Ca -0.48 -0.21 -0.55 0.00 -0.84 0.00 0.00 61.79 59.71 1b2k h SER 86 Cb 1.28 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.69 1b2k h SER 86 CO 0.60 0.96 0.12 1.51 -1.14 0.00 0.00 176.83 178.89 1b2k s ASP 87 N -6.93 7.08 0.00 3.07 -4.77 -1.26 -4.95 116.67 108.91 1b2k s ASP 87 Ca -0.04 1.30 0.20 0.00 -3.30 0.00 0.00 52.55 50.71 1b2k s ASP 87 Cb 0.11 -2.44 1.02 0.00 -1.09 0.00 0.00 42.92 40.52 1b2k s ASP 87 CO 0.82 -0.08 1.68 2.30 0.70 0.00 0.00 175.17 180.60 1b2k n ILE 88 N 3.44 0.07 -0.17 2.11 -5.35 -1.26 -4.46 119.36 113.74 1b2k n ILE 88 Ca -0.01 -0.13 -0.09 0.00 -0.27 0.00 0.00 62.75 62.25 1b2k n ILE 88 Cb 0.51 -0.05 -0.04 0.00 -1.74 0.00 0.00 39.64 38.32 1b2k n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1b2k h THR 89 N 0.84 0.10 -0.56 7.28 2.02 -1.96 0.25 112.91 120.88 1b2k h THR 89 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1b2k h THR 89 Cb 0.18 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 1b2k h THR 89 CO 0.00 0.00 0.33 0.00 0.37 0.00 0.00 175.52 176.22 1b2k h ALA 90 N 0.52 0.72 -0.60 6.16 0.00 -1.89 -0.54 119.26 123.63 1b2k h ALA 90 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1b2k h ALA 90 Cb 0.57 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1b2k h ALA 90 CO -0.63 0.04 0.31 0.77 0.00 0.00 0.00 179.25 179.74 1b2k h SER 91 N 0.64 0.77 -0.34 0.00 0.02 -1.69 -1.36 113.55 111.59 1b2k h SER 91 Ca 0.23 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1b2k h SER 91 Cb 0.05 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1b2k h SER 91 CO -0.11 0.66 0.01 0.58 -1.14 0.00 0.00 176.83 176.83 1b2k h VAL 92 N 0.82 1.25 -0.64 2.27 2.07 -0.60 0.16 116.25 121.59 1b2k h VAL 92 Ca 0.21 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1b2k h VAL 92 Cb 0.08 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1b2k h VAL 92 CO -0.03 0.31 0.42 0.78 0.02 0.00 0.00 177.57 179.07 1b2k h ASN 93 N 0.41 0.72 -0.44 0.57 2.35 -0.95 -0.43 115.58 117.81 1b2k h ASN 93 Ca 0.10 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 1b2k h ASN 93 Cb 0.44 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1b2k h ASN 93 CO 0.02 0.52 -0.25 0.00 -1.65 0.00 0.00 177.43 176.06 1b2k h ALA 95 N 0.83 1.60 -0.34 0.00 0.00 -0.14 -1.10 119.26 120.11 1b2k h ALA 95 Ca 0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1b2k h ALA 95 Cb 0.83 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1b2k h ALA 95 CO 0.07 0.34 0.01 0.87 0.00 0.00 0.00 179.25 180.54 1b2k h LYS 96 N 0.60 0.53 -0.10 0.00 1.57 -0.92 -0.22 116.57 118.03 1b2k h LYS 96 Ca 0.16 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1b2k h LYS 96 Cb 0.01 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.25 1b2k h LYS 96 CO -0.03 0.55 -0.50 -0.22 -0.57 0.00 0.00 179.45 178.68 1b2k h LYS 97 N 0.51 0.51 -0.26 3.15 3.64 -1.18 -3.11 116.57 119.83 1b2k h LYS 97 Ca 0.11 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1b2k h LYS 97 Cb 0.31 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1b2k h LYS 97 CO 0.01 1.05 0.13 0.82 -2.27 0.00 0.00 179.45 179.19 1b2k h ILE 98 N 0.11 1.14 0.00 2.00 2.04 -0.90 -2.40 117.51 119.49 1b2k h ILE 98 Ca -0.03 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1b2k h ILE 98 Cb 1.15 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1b2k h ILE 98 CO 0.10 0.13 0.00 1.62 0.00 0.00 0.00 178.15 180.01 1b2k h VAL 99 N 0.30 0.00 -0.51 1.67 3.04 -1.13 -0.89 116.25 118.73 1b2k h VAL 99 Ca 0.09 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1b2k h VAL 99 Cb 0.09 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 1b2k h VAL 99 CO -0.01 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.35 1b2k n SER 100 N -2.38 3.60 -0.66 3.17 7.64 -0.93 -3.67 113.62 120.38 1b2k n SER 100 Ca 0.00 -1.98 0.02 0.00 1.01 0.00 0.00 58.87 57.92 1b2k n SER 100 Cb 0.15 -0.33 0.10 0.00 -1.01 0.00 0.00 64.21 63.12 1b2k n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1b2k n ASP 101 N 1.49 1.77 0.00 6.43 2.03 -0.34 -4.88 116.55 123.05 1b2k n ASP 101 Ca 0.21 -2.14 0.00 0.00 0.52 0.00 0.00 54.79 53.37 1b2k n ASP 101 Cb 0.60 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 1b2k n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b2k n GLY 102 N 0.45 0.42 0.00 0.27 0.00 -1.26 -4.93 105.19 100.14 1b2k n GLY 102 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1b2k n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b2k n ASN 103 N 0.00 1.11 0.00 1.61 3.02 -1.26 -5.11 115.26 114.63 1b2k n ASN 103 Ca 0.00 -1.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 1b2k n ASN 103 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1b2k n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b2k n GLY 104 N -0.25 2.21 0.11 7.41 0.00 -1.24 -1.88 105.19 111.55 1b2k n GLY 104 Ca 0.00 -0.45 0.15 0.00 0.00 0.00 0.00 46.02 45.72 1b2k n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1b2k n MET 105 N 8.76 1.15 0.20 1.61 2.81 -1.26 -3.52 117.12 126.88 1b2k n MET 105 Ca 0.00 -0.22 0.14 0.00 -1.81 0.00 0.00 57.70 55.81 1b2k n MET 105 Cb 0.00 -1.47 0.72 0.00 -0.71 0.00 0.00 33.22 31.76 1b2k n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1b2k h ASN 106 N 0.53 0.00 -0.02 7.83 2.35 -1.79 -0.74 115.58 123.74 1b2k h ASN 106 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1b2k h ASN 106 Cb 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1b2k h ASN 106 CO 0.00 0.00 0.03 0.00 -1.65 0.00 0.00 177.43 175.81 1b2k h ALA 107 N 2.04 1.57 -2.42 -0.83 0.00 -1.71 -3.37 119.26 114.55 1b2k h ALA 107 Ca 0.00 -0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.18 1b2k h ALA 107 Cb 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.67 1b2k h ALA 107 CO 0.00 -0.04 -0.37 -1.58 0.00 0.00 0.00 179.25 177.26 1b2k s TRP 108 N -4.64 3.23 0.17 0.00 0.51 -0.28 -4.97 118.94 112.95 1b2k s TRP 108 Ca -0.05 -0.70 -0.15 0.00 -2.12 0.00 0.00 56.10 53.08 1b2k s TRP 108 Cb 0.15 -2.83 0.11 0.00 -0.81 0.00 0.00 33.47 30.09 1b2k s TRP 108 CO 0.55 -0.68 1.71 0.28 -0.51 0.00 0.00 176.95 178.30 1b2k h VAL 109 N 5.68 0.75 -0.69 4.03 2.07 -1.85 -1.69 116.25 124.55 1b2k h VAL 109 Ca -0.27 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1b2k h VAL 109 Cb 1.12 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1b2k h VAL 109 CO 0.79 0.03 0.45 0.00 0.02 0.00 0.00 177.57 178.87 1b2k h ALA 110 N 1.32 1.49 -0.23 1.67 0.00 -1.93 -0.58 119.26 121.01 1b2k h ALA 110 Ca 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1b2k h ALA 110 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1b2k h ALA 110 CO -0.29 0.47 0.03 2.35 0.00 0.00 0.00 179.25 181.81 1b2k h TRP 111 N 0.94 0.42 -0.72 0.00 7.01 -1.68 0.44 115.95 122.37 1b2k h TRP 111 Ca 0.25 -0.06 -0.04 0.00 2.11 0.00 0.00 58.89 61.15 1b2k h TRP 111 Cb -0.10 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 26.81 1b2k h TRP 111 CO 0.00 0.53 0.28 -0.09 -2.79 0.00 0.00 178.44 176.37 1b2k h ARG 112 N 0.19 1.06 0.00 2.65 2.43 -0.81 0.31 114.38 120.21 1b2k h ARG 112 Ca 0.07 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 1b2k h ARG 112 Cb 0.34 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1b2k h ARG 112 CO 0.01 0.87 -0.55 -0.91 -1.51 0.00 0.00 179.97 177.87 1b2k h ASN 113 N 1.04 0.00 0.00 -3.80 2.35 -1.03 -3.37 115.58 110.77 1b2k h ASN 113 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1b2k h ASN 113 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1b2k h ASN 113 CO -0.02 0.21 0.00 0.54 -1.65 0.00 0.00 177.43 176.51 1b2k n ARG 114 N -3.01 1.71 0.00 0.81 1.74 0.13 -4.91 116.66 113.13 1b2k n ARG 114 Ca 0.01 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1b2k n ARG 114 Cb 0.63 -0.44 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 1b2k n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b2k n LYS 116 N -2.62 1.55 -0.25 0.00 4.81 0.74 -1.43 118.16 120.96 1b2k n LYS 116 Ca 0.00 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1b2k n LYS 116 Cb 0.46 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.24 1b2k n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b2k n GLY 117 N 3.30 1.96 3.79 3.14 0.00 -1.26 -4.96 105.19 111.16 1b2k n GLY 117 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1b2k n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b2k n THR 118 N -2.00 0.00 -2.61 2.61 -2.24 -0.51 -4.99 114.28 104.54 1b2k n THR 118 Ca 0.00 -1.59 -0.43 0.00 -2.27 0.00 0.00 64.05 59.76 1b2k n THR 118 Cb 0.00 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 1b2k n THR 118 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1b2k n ASP 119 N -2.82 5.00 0.16 3.42 2.03 -1.26 -4.79 116.55 118.28 1b2k n ASP 119 Ca 0.16 -2.98 0.12 0.00 0.52 0.00 0.00 54.79 52.61 1b2k n ASP 119 Cb 0.58 -1.60 0.57 0.00 -0.72 0.00 0.00 41.12 39.95 1b2k n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1b2k h VAL 120 N 4.58 0.00 0.00 5.18 -1.51 -1.91 -2.51 116.25 120.08 1b2k h VAL 120 Ca 0.39 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.71 1b2k h VAL 120 Cb 0.79 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1b2k h VAL 120 CO 1.44 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.78 1b2k n GLN 121 N -2.33 0.01 0.25 5.19 6.02 -1.26 -1.64 117.38 123.62 1b2k n GLN 121 Ca 0.00 0.35 0.14 0.00 -0.01 0.00 0.00 57.00 57.48 1b2k n GLN 121 Cb 0.15 -1.53 0.46 0.00 1.02 0.00 0.00 30.24 30.34 1b2k n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b2k h ALA 122 N 2.32 0.99 0.00 -1.58 0.00 -1.84 -3.17 119.26 115.98 1b2k h ALA 122 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1b2k h ALA 122 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1b2k h ALA 122 CO 0.00 0.05 0.00 0.91 0.00 0.00 0.00 179.25 180.21 1b2k n TRP 123 N -3.13 0.00 -0.14 0.00 7.02 -0.65 -2.68 117.44 117.86 1b2k n TRP 123 Ca 0.02 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.52 1b2k n TRP 123 Cb 0.41 -0.38 0.05 0.00 -2.42 0.00 0.00 31.31 28.97 1b2k n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1b2k n ILE 124 N -1.38 1.09 -1.86 -0.99 -5.35 -1.20 -4.86 119.36 104.83 1b2k n ILE 124 Ca 0.08 -1.11 -0.41 0.00 -0.27 0.00 0.00 62.75 61.04 1b2k n ILE 124 Cb 0.21 0.43 -0.01 0.00 -1.74 0.00 0.00 39.64 38.53 1b2k n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b2k s ARG 125 N -1.18 4.17 0.00 6.28 1.70 -1.09 -1.71 118.95 127.12 1b2k s ARG 125 Ca 0.08 2.49 0.00 0.00 -0.47 0.00 0.00 55.73 57.84 1b2k s ARG 125 Cb 0.05 -3.04 0.00 0.00 -0.57 0.00 0.00 34.95 31.40 1b2k s ARG 125 CO 0.04 -0.54 0.00 0.41 -1.08 0.00 0.00 175.30 174.13 1b2k n GLY 126 N 1.78 2.62 3.74 3.88 0.00 -1.26 -4.99 105.19 110.95 1b2k n GLY 126 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1b2k n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b2k s ARG 128 N -0.27 3.98 0.00 0.00 0.52 -1.26 -5.10 118.95 116.83 1b2k s ARG 128 Ca 0.43 -3.10 0.22 0.00 -0.52 0.00 0.00 55.73 52.76 1b2k s ARG 128 Cb -0.23 -4.46 0.17 0.00 0.52 0.00 0.00 34.95 30.96 1b2k s ARG 128 CO 0.28 -1.25 1.20 1.28 0.02 0.00 0.00 175.30 176.82