#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 3.48 0.58 3.15 1.01 -1.26 -0.96 120.40 126.40 1b2k s VAL 2 Ca 0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 1b2k s VAL 2 Cb 0.00 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 1b2k s VAL 2 CO 0.00 0.18 1.02 -0.36 0.00 0.00 0.00 175.10 175.95 1b2k s PHE 3 N 1.44 3.30 0.39 5.22 0.40 -0.21 -5.01 117.98 123.50 1b2k s PHE 3 Ca 0.02 1.45 -0.06 0.00 -0.60 0.00 0.00 56.93 57.74 1b2k s PHE 3 Cb -0.16 -2.86 -0.05 0.00 0.51 0.00 0.00 43.02 40.46 1b2k s PHE 3 CO -0.01 -0.75 0.69 0.20 0.70 0.00 0.00 175.22 176.05 1b2k s GLY 4 N -3.24 1.72 0.13 4.36 0.00 -1.26 -4.87 107.32 104.17 1b2k s GLY 4 Ca 0.60 -0.47 -0.24 0.00 0.00 0.00 0.00 44.72 44.61 1b2k s GLY 4 CO 0.39 -0.32 1.64 -0.09 0.00 0.00 0.00 173.10 174.72 1b2k h ARG 5 N 1.02 -0.30 0.00 2.90 2.43 -1.97 -0.50 114.38 117.95 1b2k h ARG 5 Ca -0.47 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 58.61 1b2k h ARG 5 Cb 1.20 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 1b2k h ARG 5 CO 0.64 -0.20 -0.51 0.00 -1.51 0.00 0.00 179.97 178.39 1b2k h GLU 7 N 0.00 0.82 -0.28 0.00 4.81 -1.87 -0.59 114.58 117.46 1b2k h GLU 7 Ca -0.01 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 1b2k h GLU 7 Cb 1.25 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1b2k h GLU 7 CO 0.07 0.76 -0.23 1.25 -0.73 0.00 0.00 179.01 180.13 1b2k h LEU 8 N 0.72 0.69 -0.68 1.64 5.85 -1.04 -2.08 115.31 120.41 1b2k h LEU 8 Ca 0.17 -0.45 0.07 0.00 0.84 0.00 0.00 57.88 58.51 1b2k h LEU 8 Cb 0.30 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 1b2k h LEU 8 CO -0.00 1.00 0.36 0.00 -0.34 0.00 0.00 178.44 179.45 1b2k h ALA 9 N 0.72 0.92 -0.43 1.25 0.00 -1.22 0.15 119.26 120.64 1b2k h ALA 9 Ca 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1b2k h ALA 9 Cb 0.78 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1b2k h ALA 9 CO 0.06 0.01 0.19 0.00 0.00 0.00 0.00 179.25 179.50 1b2k h ALA 10 N 1.38 0.56 -0.35 0.00 0.00 -1.00 -0.32 119.26 119.53 1b2k h ALA 10 Ca 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1b2k h ALA 10 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1b2k h ALA 10 CO -0.22 0.15 0.13 0.00 0.00 0.00 0.00 179.25 179.32 1b2k h ALA 11 N 1.03 0.46 -0.79 0.00 0.00 -0.65 -0.11 119.26 119.21 1b2k h ALA 11 Ca 0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1b2k h ALA 11 Cb 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1b2k h ALA 11 CO -0.01 0.07 0.31 0.52 0.00 0.00 0.00 179.25 180.13 1b2k h MET 12 N 0.42 1.18 -0.71 0.00 2.86 -0.59 -1.69 114.93 116.40 1b2k h MET 12 Ca 0.12 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1b2k h MET 12 Cb 0.20 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1b2k h MET 12 CO -0.01 0.96 0.17 -0.22 1.06 0.00 0.00 176.91 178.87 1b2k h LYS 13 N 1.15 1.14 -0.42 1.72 3.64 -0.81 -1.65 116.57 121.33 1b2k h LYS 13 Ca 0.26 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1b2k h LYS 13 Cb 0.22 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1b2k h LYS 13 CO -0.02 1.00 0.28 0.00 -2.27 0.00 0.00 179.45 178.44 1b2k h ARG 14 N 1.08 0.45 -0.54 1.90 2.47 -0.25 -0.75 114.38 118.73 1b2k h ARG 14 Ca 0.22 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1b2k h ARG 14 Cb 0.38 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1b2k h ARG 14 CO 0.00 0.30 0.00 0.72 0.56 0.00 0.00 179.97 181.55 1b2k n HIS 15 N -4.48 0.77 -2.80 3.04 8.25 -0.71 -4.93 115.22 114.36 1b2k n HIS 15 Ca 0.04 -0.32 -0.14 0.00 -0.26 0.00 0.00 57.72 57.04 1b2k n HIS 15 Cb 0.15 -0.12 0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 0.84 -0.07 0.11 -1.41 0.00 -0.29 -4.94 105.19 99.44 1b2k n GLY 16 Ca 0.14 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.00 0.00 -9.24 0.99 3.38 -1.51 -3.41 115.31 104.51 1b2k h LEU 17 Ca -0.34 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.08 1b2k h LEU 17 Cb 1.23 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.00 1b2k h LEU 17 CO 0.36 0.27 1.32 -0.62 0.09 0.00 0.00 178.44 179.86 1b2k s ASP 18 N -5.66 6.13 -0.91 -0.43 2.15 -1.26 -1.36 116.67 115.33 1b2k s ASP 18 Ca -0.01 2.44 0.00 0.00 0.43 0.00 0.00 52.55 55.42 1b2k s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1b2k s ASP 18 CO 0.79 -1.34 0.00 0.59 -0.17 0.00 0.00 175.17 175.04 1b2k n ASN 19 N 8.85 -4.59 -4.67 -0.34 5.03 0.72 -4.84 115.26 115.40 1b2k n ASN 19 Ca 0.23 0.21 -0.42 0.00 0.87 0.00 0.00 54.58 55.47 1b2k n ASN 19 Cb 0.42 -2.85 -0.03 0.00 -1.02 0.00 0.00 39.78 36.31 1b2k n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1b2k s TYR 20 N -2.13 2.50 -1.62 3.10 5.04 -0.47 -1.94 117.35 121.83 1b2k s TYR 20 Ca 0.00 0.58 -0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1b2k s TYR 20 Cb 0.00 -3.76 0.00 0.00 0.35 0.00 0.00 41.96 38.55 1b2k s TYR 20 CO 0.00 -2.97 0.04 0.54 -1.34 0.00 0.00 175.55 171.82 1b2k n ARG 21 N 6.19 -1.75 -1.04 4.97 5.12 -1.26 -1.71 116.66 127.17 1b2k n ARG 21 Ca 0.15 0.92 -0.01 0.00 -1.93 0.00 0.00 57.85 56.98 1b2k n ARG 21 Cb 0.43 -5.50 -0.01 0.00 -1.16 0.00 0.00 32.46 26.23 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 -1.05 0.51 3.32 -0.13 0.00 -0.82 -5.01 105.19 102.02 1b2k n GLY 22 Ca -0.22 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.96 3.23 0.61 1.61 2.02 -0.70 -4.92 117.35 117.25 1b2k s TYR 23 Ca 0.00 -1.19 -0.19 0.00 -0.37 0.00 0.00 57.07 55.32 1b2k s TYR 23 Cb 0.00 -2.32 -0.02 0.00 -0.40 0.00 0.00 41.96 39.21 1b2k s TYR 23 CO 0.00 -0.67 1.27 -1.54 -1.57 0.00 0.00 175.55 173.04 1b2k s SER 24 N 1.47 4.90 0.30 2.29 1.04 -1.26 -0.20 113.70 122.24 1b2k s SER 24 Ca 0.00 2.56 0.04 0.00 0.48 0.00 0.00 55.95 59.03 1b2k s SER 24 Cb -0.19 -2.61 0.77 0.00 0.10 0.00 0.00 66.02 64.09 1b2k s SER 24 CO 0.04 -1.80 1.63 0.25 0.98 0.00 0.00 173.24 174.34 1b2k h LEU 25 N 0.80 -0.04 -1.69 2.42 6.46 -1.89 0.12 115.31 121.49 1b2k h LEU 25 Ca -0.51 0.22 0.13 0.00 -0.12 0.00 0.00 57.88 57.60 1b2k h LEU 25 Cb 1.32 0.30 -0.04 0.00 -0.73 0.00 0.00 40.66 41.51 1b2k h LEU 25 CO 0.54 -0.21 0.44 1.23 -0.62 0.00 0.00 178.44 179.82 1b2k h GLY 26 N 0.16 0.51 0.96 3.75 0.00 -1.91 -1.30 103.07 105.24 1b2k h GLY 26 Ca 0.59 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 1b2k h GLY 26 CO -0.71 0.06 0.19 3.43 0.00 0.00 0.00 176.54 179.51 1b2k h ASN 27 N 0.32 0.64 -0.34 0.19 2.35 -0.99 -0.41 115.58 117.34 1b2k h ASN 27 Ca 0.31 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 1b2k h ASN 27 Cb 0.76 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1b2k h ASN 27 CO -0.08 0.63 -0.29 -0.50 -1.65 0.00 0.00 177.43 175.55 1b2k h TRP 28 N 0.61 1.00 -0.27 1.19 4.06 -1.30 -0.80 115.95 120.44 1b2k h TRP 28 Ca 0.16 -0.26 -0.08 0.00 2.06 0.00 0.00 58.89 60.76 1b2k h TRP 28 Cb 0.19 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 1b2k h TRP 28 CO 0.00 1.04 -0.16 0.28 -3.56 0.00 0.00 178.44 176.04 1b2k h VAL 29 N 0.73 1.30 -0.64 1.49 2.07 -1.22 -1.78 116.25 118.19 1b2k h VAL 29 Ca 0.08 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1b2k h VAL 29 Cb 0.84 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1b2k h VAL 29 CO 0.07 0.40 0.40 0.00 0.02 0.00 0.00 177.57 178.47 1b2k h ALA 31 N 1.21 -0.08 -0.89 0.00 0.00 -0.98 -2.24 119.26 116.29 1b2k h ALA 31 Ca 0.23 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1b2k h ALA 31 Cb -0.05 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1b2k h ALA 31 CO -0.05 -0.58 0.58 0.00 0.00 0.00 0.00 179.25 179.20 1b2k h ALA 32 N 0.85 1.36 -0.08 0.00 0.00 -1.00 0.50 119.26 120.89 1b2k h ALA 32 Ca 0.05 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1b2k h ALA 32 Cb 0.23 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1b2k h ALA 32 CO -0.13 0.59 -0.09 -0.22 0.00 0.00 0.00 179.25 179.39 1b2k h LYS 33 N 1.20 -0.12 0.00 0.00 1.63 -0.58 -1.57 116.57 117.13 1b2k h LYS 33 Ca 0.32 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 1b2k h LYS 33 Cb -0.13 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1b2k h LYS 33 CO -0.07 -0.08 -0.53 1.19 -3.45 0.00 0.00 179.45 176.51 1b2k n PHE 34 N -5.23 0.47 0.04 1.91 3.72 -0.91 -0.54 117.46 116.93 1b2k n PHE 34 Ca -0.04 0.14 -0.22 0.00 -0.05 0.00 0.00 57.45 57.27 1b2k n PHE 34 Cb 0.15 -0.60 -0.14 0.00 -0.94 0.00 0.00 39.48 37.95 1b2k n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1b2k h GLU 35 N 0.00 0.32 0.00 -1.08 4.39 -0.79 -3.43 114.58 113.99 1b2k h GLU 35 Ca 0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1b2k h GLU 35 Cb 0.69 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1b2k h GLU 35 CO 0.00 1.26 0.00 -1.13 -1.16 0.00 0.00 179.01 177.98 1b2k n SER 36 N -3.82 0.21 -2.95 1.42 3.41 -0.66 -4.81 113.62 106.42 1b2k n SER 36 Ca -0.23 -0.92 -0.20 0.00 -0.26 0.00 0.00 58.87 57.26 1b2k n SER 36 Cb 0.96 0.02 0.06 0.00 -0.26 0.00 0.00 64.21 64.99 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 -5.62 -1.31 4.04 5.15 0.30 -2.21 115.26 115.60 1b2k n ASN 37 Ca 0.00 -0.39 -0.16 0.00 -0.60 0.00 0.00 54.58 53.42 1b2k n ASN 37 Cb 0.17 -4.29 -0.07 0.00 -0.53 0.00 0.00 39.78 35.06 1b2k n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1b2k n PHE 38 N -4.53 -0.06 -3.56 1.20 3.72 -1.10 -4.84 117.46 108.29 1b2k n PHE 38 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 1b2k n PHE 38 Cb 0.57 -2.89 -0.11 0.00 -0.94 0.00 0.00 39.48 36.11 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 -2.78 6.00 0.37 4.37 3.84 -0.94 -1.04 114.94 124.76 1b2k s ASN 39 Ca 0.00 -0.27 0.28 0.00 0.21 0.00 0.00 52.86 53.08 1b2k s ASN 39 Cb 0.00 -2.12 1.09 0.00 -0.55 0.00 0.00 41.25 39.67 1b2k s ASN 39 CO 0.00 -0.16 1.82 0.71 -2.79 0.00 0.00 177.10 176.68 1b2k h THR 40 N 5.45 0.00 -0.03 -5.21 1.35 -1.38 -2.85 112.91 110.24 1b2k h THR 40 Ca -0.33 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1b2k h THR 40 Cb 1.17 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1b2k h THR 40 CO 0.60 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.87 1b2k n GLN 41 N -2.59 2.15 -1.68 4.72 1.13 -1.26 -4.12 117.38 115.73 1b2k n GLN 41 Ca 0.02 -1.68 -0.45 0.00 -1.94 0.00 0.00 57.00 52.95 1b2k n GLN 41 Cb 0.28 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.13 1b2k n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1b2k n ALA 42 N 1.04 1.71 -3.09 -1.58 0.00 -1.08 -4.79 120.51 112.73 1b2k n ALA 42 Ca 0.15 0.43 -0.16 0.00 0.00 0.00 0.00 53.44 53.86 1b2k n ALA 42 Cb 0.53 -2.39 -0.15 0.00 0.00 0.00 0.00 19.45 17.45 1b2k n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1b2k s THR 43 N 0.82 0.37 -0.19 0.00 -4.23 -1.26 -0.91 115.64 110.24 1b2k s THR 43 Ca 0.76 -0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1b2k s THR 43 Cb -0.63 -0.35 0.05 0.00 1.34 0.00 0.00 72.50 72.91 1b2k s THR 43 CO 0.38 0.13 -0.02 0.21 -0.54 0.00 0.00 174.62 174.79 1b2k s ASN 44 N 0.26 3.07 -0.20 3.99 2.47 -0.30 -4.96 114.94 119.28 1b2k s ASN 44 Ca -0.03 -0.82 -0.21 0.00 0.42 0.00 0.00 52.86 52.22 1b2k s ASN 44 Cb -0.06 -0.85 -0.02 0.00 -1.45 0.00 0.00 41.25 38.86 1b2k s ASN 44 CO -0.00 -0.24 0.64 -0.60 -3.72 0.00 0.00 177.10 173.17 1b2k s ARG 45 N 1.67 4.22 0.57 0.43 3.00 -1.26 -0.01 118.95 127.56 1b2k s ARG 45 Ca -0.01 0.63 -0.05 0.00 -1.00 0.00 0.00 55.73 55.30 1b2k s ARG 45 Cb -0.17 -3.58 0.01 0.00 0.00 0.00 0.00 34.95 31.22 1b2k s ARG 45 CO -0.07 -0.24 0.86 -0.80 0.00 0.00 0.00 175.30 175.05 1b2k s ASN 46 N 1.19 5.58 -0.02 -2.12 0.02 0.49 -4.95 114.94 115.13 1b2k s ASN 46 Ca 0.29 0.60 0.00 0.00 -1.02 0.00 0.00 52.86 52.73 1b2k s ASN 46 Cb -0.16 -1.62 0.03 0.00 0.02 0.00 0.00 41.25 39.53 1b2k s ASN 46 CO 0.10 -1.03 1.16 0.35 0.02 0.00 0.00 177.10 177.71 1b2k n THR 47 N -2.50 1.23 -0.57 1.60 -2.24 -1.26 -2.73 114.28 107.81 1b2k n THR 47 Ca 0.04 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1b2k n THR 47 Cb 0.58 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 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 0.54 0.42 0.00 3.42 5.75 -1.26 -4.99 116.55 120.42 1b2k n ASP 48 Ca 0.03 -0.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.82 1b2k n ASP 48 Cb 0.55 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1b2k n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b2k n GLY 49 N 0.01 0.63 3.96 6.12 0.00 -1.10 -5.07 105.19 109.74 1b2k n GLY 49 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.84 5.75 0.01 1.61 1.04 -1.26 -4.91 113.70 113.10 1b2k s SER 50 Ca 0.00 0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.58 1b2k s SER 50 Cb 0.00 -1.34 -0.01 0.00 0.10 0.00 0.00 66.02 64.77 1b2k s SER 50 CO 0.00 -0.74 -0.04 -0.89 0.98 0.00 0.00 173.24 172.54 1b2k s THR 51 N -2.53 0.32 -0.20 2.02 2.01 -1.26 -0.38 115.64 115.62 1b2k s THR 51 Ca 0.50 -0.49 -0.09 0.00 0.31 0.00 0.00 61.69 61.91 1b2k s THR 51 Cb -0.10 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1b2k s THR 51 CO 0.37 -0.12 0.12 -1.81 -0.69 0.00 0.00 174.62 172.48 1b2k s ASP 52 N -0.65 6.01 -0.02 3.53 1.01 0.98 -0.87 116.67 126.67 1b2k s ASP 52 Ca -0.04 0.16 0.06 0.00 0.71 0.00 0.00 52.55 53.44 1b2k s ASP 52 Cb -0.05 -2.05 -0.03 0.00 1.01 0.00 0.00 42.92 41.80 1b2k s ASP 52 CO -0.00 0.15 -0.18 -0.31 0.21 0.00 0.00 175.17 175.04 1b2k s TYR 53 N 0.51 2.57 0.02 4.23 1.51 0.60 -1.14 117.35 125.64 1b2k s TYR 53 Ca 0.06 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 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 0.15 0.00 0.41 -1.11 0.00 0.00 175.55 175.00 1b2k n GLY 54 N 2.12 -1.94 0.40 0.71 0.00 -0.09 -1.50 105.19 104.89 1b2k n GLY 54 Ca -0.17 -1.36 0.22 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.09 0.60 -0.20 -0.61 2.10 -1.71 -0.84 117.51 116.76 1b2k h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1b2k h ILE 55 Cb 0.09 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 36.50 1b2k h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1b2k n LEU 56 N -4.16 2.97 -4.03 2.19 4.77 -1.26 -4.06 117.00 113.42 1b2k n LEU 56 Ca 0.10 -2.48 -0.42 0.00 -0.03 0.00 0.00 56.01 53.18 1b2k n LEU 56 Cb 0.66 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1b2k n LEU 56 CO 0.34 0.67 -0.17 0.00 -1.33 0.00 0.00 177.39 176.90 1b2k n GLN 57 N -0.29 -0.42 -2.84 3.23 1.13 -0.32 -4.89 117.38 112.99 1b2k n GLN 57 Ca 0.13 0.12 -0.41 0.00 -1.94 0.00 0.00 57.00 54.90 1b2k n GLN 57 Cb 0.57 -2.22 -0.04 0.00 0.11 0.00 0.00 30.24 28.67 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 -3.51 4.87 0.23 5.09 1.01 -0.56 -4.48 121.20 123.85 1b2k s ILE 58 Ca 0.40 1.83 -0.30 0.00 0.00 0.00 0.00 60.65 62.58 1b2k s ILE 58 Cb -0.22 -4.22 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 1b2k s ILE 58 CO 0.91 0.22 1.01 0.21 0.00 0.00 0.00 174.94 177.30 1b2k s ASN 59 N 0.74 7.47 0.32 3.58 3.84 -1.26 -0.29 114.94 129.33 1b2k s ASN 59 Ca 0.46 2.04 0.26 0.00 0.21 0.00 0.00 52.86 55.83 1b2k s ASN 59 Cb -0.20 -2.61 0.97 0.00 -0.55 0.00 0.00 41.25 38.85 1b2k s ASN 59 CO 0.25 -0.01 1.77 0.77 -2.79 0.00 0.00 177.10 177.09 1b2k h SER 60 N 4.38 0.00 -0.27 -4.21 4.64 -1.33 -3.16 113.55 113.60 1b2k h SER 60 Ca -0.45 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.91 1b2k h SER 60 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 1b2k h SER 60 CO 0.69 0.00 0.02 0.03 -0.87 0.00 0.00 176.83 176.69 1b2k h ARG 61 N 0.00 0.10 0.00 4.77 3.08 -1.85 -3.36 114.38 117.13 1b2k h ARG 61 Ca 0.00 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 1b2k h ARG 61 Cb 0.53 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1b2k h ARG 61 CO 0.00 0.07 -1.53 0.91 -1.07 0.00 0.00 179.97 178.35 1b2k n TRP 62 N -5.13 0.00 -0.00 3.04 7.02 -1.25 -4.66 117.44 116.44 1b2k n TRP 62 Ca -0.01 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1b2k n TRP 62 Cb 0.14 -0.38 -0.11 0.00 -2.42 0.00 0.00 31.31 28.53 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 -2.30 0.60 -4.12 -5.99 7.02 -1.19 -0.50 117.44 110.96 1b2k n TRP 63 Ca -0.13 0.20 -0.10 0.00 -1.02 0.00 0.00 57.50 56.45 1b2k n TRP 63 Cb 0.75 -0.97 -0.09 0.00 -2.42 0.00 0.00 31.31 28.58 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 -3.05 6.17 -0.17 0.00 2.47 -0.40 -4.47 114.94 115.49 1b2k s ASN 65 Ca 0.25 -0.35 0.16 0.00 0.42 0.00 0.00 52.86 53.34 1b2k s ASN 65 Cb 0.07 -2.20 0.75 0.00 -1.45 0.00 0.00 41.25 38.42 1b2k s ASN 65 CO 0.03 -0.38 1.67 -0.90 -3.72 0.00 0.00 177.10 173.79 1b2k n ASP 66 N 5.40 5.13 0.00 -4.21 5.68 -1.26 -1.55 116.55 125.74 1b2k n ASP 66 Ca -0.09 -2.70 0.00 0.00 -0.50 0.00 0.00 54.79 51.50 1b2k n ASP 66 Cb 0.49 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 1b2k n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b2k n GLY 67 N 0.77 2.02 0.09 6.12 0.00 -1.26 -4.89 105.19 108.05 1b2k n GLY 67 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 1b2k n GLY 67 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b2k h ARG 68 N 2.61 0.00 -1.70 1.61 3.08 -1.98 -3.41 114.38 114.59 1b2k h ARG 68 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1b2k h ARG 68 Cb 0.00 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 29.69 1b2k h ARG 68 CO 0.00 0.42 -1.04 0.25 -1.07 0.00 0.00 179.97 178.53 1b2k n THR 69 N -3.00 -0.43 -1.79 2.04 -2.24 -1.26 -5.12 114.28 102.46 1b2k n THR 69 Ca -0.09 -3.81 -0.40 0.00 -2.27 0.00 0.00 64.05 57.48 1b2k n THR 69 Cb 0.89 -0.92 0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1b2k n THR 69 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1b2k s PRO 70 N -1.30 3.73 0.00 -0.78 0.02 -1.26 -1.91 135.00 133.51 1b2k s PRO 70 Ca 0.36 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.82 1b2k s PRO 70 Cb 0.24 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 32.06 1b2k s PRO 70 CO -0.11 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 1b2k n GLY 71 N 0.56 1.77 3.62 0.52 0.00 -1.26 -5.02 105.19 105.38 1b2k n GLY 71 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1b2k n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b2k s SER 72 N -3.29 4.80 0.24 1.61 0.15 -0.80 -5.01 113.70 111.41 1b2k s SER 72 Ca 0.00 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1b2k s SER 72 Cb 0.00 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1b2k s SER 72 CO 0.00 0.30 0.00 0.54 1.20 0.00 0.00 173.24 175.28 1b2k n ARG 73 N 1.69 0.00 -3.73 5.44 1.74 -1.26 -4.85 116.66 115.69 1b2k n ARG 73 Ca -0.16 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.64 1b2k n ARG 73 Cb 0.53 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.00 1b2k n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1b2k n ASN 74 N 3.63 -3.76 0.31 0.55 5.15 -0.67 -4.84 115.26 115.62 1b2k n ASN 74 Ca 0.00 -0.98 0.16 0.00 -0.60 0.00 0.00 54.58 53.16 1b2k n ASN 74 Cb 0.00 -3.44 0.97 0.00 -0.53 0.00 0.00 39.78 36.78 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 -1.86 0.00 -0.80 1.20 3.38 -0.85 -1.19 115.31 115.19 1b2k h LEU 75 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1b2k h LEU 75 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1b2k h LEU 75 CO 0.52 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.90 1b2k n ASN 77 N -0.16 -4.01 -3.59 0.00 5.15 -0.45 -4.96 115.26 107.24 1b2k n ASN 77 Ca 0.15 -0.96 -0.15 0.00 -0.60 0.00 0.00 54.58 53.02 1b2k n ASN 77 Cb 0.37 -3.56 -0.06 0.00 -0.53 0.00 0.00 39.78 36.00 1b2k n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1b2k s ILE 78 N -3.57 0.03 0.33 -1.44 -4.36 -1.26 -5.06 121.20 105.86 1b2k s ILE 78 Ca 0.33 -0.22 -0.27 0.00 -0.26 0.00 0.00 60.65 60.23 1b2k s ILE 78 Cb -0.11 -0.92 -0.09 0.00 1.25 0.00 0.00 42.46 42.59 1b2k s ILE 78 CO 0.85 -0.12 1.11 -2.16 0.24 0.00 0.00 174.94 174.86 1b2k s PRO 79 N -1.89 4.41 0.50 0.37 0.04 -1.26 -1.28 135.00 135.90 1b2k s PRO 79 Ca -0.08 1.77 0.22 0.00 0.04 0.00 0.00 61.00 62.95 1b2k s PRO 79 Cb -0.01 -2.95 1.30 0.00 0.04 0.00 0.00 34.50 32.88 1b2k s PRO 79 CO 0.03 0.02 1.98 0.00 0.04 0.00 0.00 177.00 179.07 1b2k h SER 81 N 0.11 0.00 0.73 0.00 4.64 -1.90 -0.47 113.55 116.66 1b2k h SER 81 Ca 0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 1b2k h SER 81 Cb 0.91 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1b2k h SER 81 CO -0.03 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.87 1b2k h ALA 82 N 1.97 1.06 -0.00 5.18 0.00 -1.14 -1.92 119.26 124.40 1b2k h ALA 82 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1b2k h ALA 82 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1b2k h ALA 82 CO -0.00 0.08 -0.04 1.28 0.00 0.00 0.00 179.25 180.57 1b2k n LEU 83 N -3.25 0.12 -1.07 0.00 4.77 -0.18 -3.23 117.00 114.16 1b2k n LEU 83 Ca -0.00 0.24 0.11 0.00 -0.03 0.00 0.00 56.01 56.33 1b2k n LEU 83 Cb 0.28 -0.29 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 1b2k n LEU 83 CO 0.28 0.02 0.68 0.18 -1.33 0.00 0.00 177.39 177.22 1b2k n LEU 84 N -1.24 3.32 -4.80 2.23 4.77 -0.72 -3.69 117.00 116.86 1b2k n LEU 84 Ca 0.13 -1.48 -0.33 0.00 -0.03 0.00 0.00 56.01 54.30 1b2k n LEU 84 Cb 0.26 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1b2k n LEU 84 CO 0.24 0.71 0.72 -0.55 -1.33 0.00 0.00 177.39 177.18 1b2k s SER 85 N -1.44 6.00 0.30 -1.43 0.15 -1.20 -4.46 113.70 111.61 1b2k s SER 85 Ca 0.36 1.87 0.25 0.00 0.70 0.00 0.00 55.95 59.12 1b2k s SER 85 Cb 0.21 -2.54 1.02 0.00 -1.71 0.00 0.00 66.02 63.00 1b2k s SER 85 CO 0.29 -1.02 1.75 0.28 1.20 0.00 0.00 173.24 175.75 1b2k h SER 86 N 0.88 0.00 -3.58 5.45 0.02 -1.92 -3.39 113.55 111.01 1b2k h SER 86 Ca -0.48 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.82 1b2k h SER 86 Cb 1.22 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.61 1b2k h SER 86 CO 0.58 0.00 0.09 -0.62 -1.14 0.00 0.00 176.83 175.74 1b2k s ASP 87 N -4.47 6.34 0.00 3.07 2.15 -1.26 -4.95 116.67 117.56 1b2k s ASP 87 Ca 0.04 -0.18 0.23 0.00 0.43 0.00 0.00 52.55 53.07 1b2k s ASP 87 Cb 0.09 -2.31 1.36 0.00 -0.30 0.00 0.00 42.92 41.77 1b2k s ASP 87 CO 0.42 -0.68 1.78 2.30 -0.17 0.00 0.00 175.17 178.83 1b2k n ILE 88 N 5.71 0.00 -0.11 4.11 -5.35 -1.26 -4.22 119.36 118.24 1b2k n ILE 88 Ca -0.02 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.39 1b2k n ILE 88 Cb 0.48 -0.51 -0.01 0.00 -1.74 0.00 0.00 39.64 37.87 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 0.00 0.30 -0.39 7.28 2.02 -1.93 0.59 112.91 120.77 1b2k h THR 89 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1b2k h THR 89 Cb 0.00 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 1b2k h THR 89 CO 0.00 0.00 0.26 0.00 0.37 0.00 0.00 175.52 176.15 1b2k h ALA 90 N 0.87 0.50 -0.70 6.16 0.00 -1.84 -0.04 119.26 124.21 1b2k h ALA 90 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1b2k h ALA 90 Cb 0.50 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1b2k h ALA 90 CO -0.50 -0.05 0.32 0.77 0.00 0.00 0.00 179.25 179.78 1b2k h SER 91 N 0.52 0.93 -0.38 0.00 0.02 -1.67 -1.13 113.55 111.84 1b2k h SER 91 Ca 0.15 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1b2k h SER 91 Cb -0.05 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1b2k h SER 91 CO -0.04 0.81 -0.13 0.58 -1.14 0.00 0.00 176.83 176.92 1b2k h VAL 92 N 0.98 1.28 -0.33 2.27 2.07 -0.63 -0.38 116.25 121.51 1b2k h VAL 92 Ca 0.24 -1.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 1b2k h VAL 92 Cb 0.14 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1b2k h VAL 92 CO -0.03 0.41 -0.22 0.78 0.02 0.00 0.00 177.57 178.53 1b2k h ASN 93 N 0.55 0.62 -0.06 0.57 2.35 -0.85 -1.53 115.58 117.24 1b2k h ASN 93 Ca 0.09 -0.21 -0.17 0.00 -0.55 0.00 0.00 56.30 55.46 1b2k h ASN 93 Cb 0.66 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1b2k h ASN 93 CO 0.04 0.84 -0.58 0.00 -1.65 0.00 0.00 177.43 176.08 1b2k h ALA 95 N 0.86 1.47 -0.51 0.00 0.00 -0.69 -1.31 119.26 119.07 1b2k h ALA 95 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1b2k h ALA 95 Cb 1.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1b2k h ALA 95 CO 0.12 0.38 0.15 0.87 0.00 0.00 0.00 179.25 180.77 1b2k h LYS 96 N 0.44 0.76 -0.13 0.00 1.57 -1.13 0.56 116.57 118.64 1b2k h LYS 96 Ca 0.10 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 1b2k h LYS 96 Cb 0.27 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.46 1b2k h LYS 96 CO 0.01 0.67 -0.54 0.87 -0.57 0.00 0.00 179.45 179.89 1b2k h LYS 97 N 0.74 0.60 -0.30 3.15 1.57 -1.34 -2.91 116.57 118.08 1b2k h LYS 97 Ca 0.17 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1b2k h LYS 97 Cb 0.24 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1b2k h LYS 97 CO -0.01 1.09 0.19 0.82 -0.57 0.00 0.00 179.45 180.97 1b2k h ILE 98 N 0.25 1.09 0.00 1.86 2.04 -0.88 -2.12 117.51 119.75 1b2k h ILE 98 Ca -0.03 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1b2k h ILE 98 Cb 1.17 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1b2k h ILE 98 CO 0.11 0.09 0.00 1.62 0.00 0.00 0.00 178.15 179.97 1b2k h VAL 99 N 0.39 0.00 -0.19 1.67 3.04 -0.94 -1.55 116.25 118.66 1b2k h VAL 99 Ca 0.11 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1b2k h VAL 99 Cb -0.01 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1b2k h VAL 99 CO -0.02 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.34 1b2k n SER 100 N -2.82 2.85 0.00 3.17 7.64 -0.85 -3.70 113.62 119.91 1b2k n SER 100 Ca -0.00 -1.91 0.06 0.00 1.01 0.00 0.00 58.87 58.04 1b2k n SER 100 Cb 0.21 -0.12 0.37 0.00 -1.01 0.00 0.00 64.21 63.67 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 1.14 0.00 0.00 6.43 2.03 -0.58 -4.88 116.55 120.69 1b2k n ASP 101 Ca 0.17 -1.56 0.00 0.00 0.52 0.00 0.00 54.79 53.92 1b2k n ASP 101 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 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 0.67 0.49 0.03 0.27 0.00 -1.26 -4.93 105.19 100.45 1b2k n GLY 102 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1b2k n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1b2k n ASN 103 N 0.00 2.08 0.00 1.61 4.05 -1.26 -5.10 115.26 116.64 1b2k n ASN 103 Ca 0.00 -2.36 0.00 0.00 0.45 0.00 0.00 54.58 52.67 1b2k n ASN 103 Cb 0.00 -0.15 0.00 0.00 1.23 0.00 0.00 39.78 40.86 1b2k n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1b2k n GLY 104 N -0.81 1.78 0.14 8.20 0.00 -1.24 -1.36 105.19 111.90 1b2k n GLY 104 Ca 0.05 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 8.06 1.19 0.00 1.61 2.81 -1.26 -3.42 117.12 126.11 1b2k n MET 105 Ca 0.00 -0.29 0.06 0.00 -1.81 0.00 0.00 57.70 55.66 1b2k n MET 105 Cb 0.00 -1.38 0.28 0.00 -0.71 0.00 0.00 33.22 31.41 1b2k n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1b2k n ASN 106 N -0.55 0.00 0.12 7.83 3.02 -0.47 -1.45 115.26 123.75 1b2k n ASN 106 Ca 0.17 0.43 0.11 0.00 -0.03 0.00 0.00 54.58 55.27 1b2k n ASN 106 Cb 0.15 -0.46 0.47 0.00 -0.61 0.00 0.00 39.78 39.33 1b2k n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b2k n ALA 107 N -1.46 1.67 -3.29 5.41 0.00 -1.22 -4.31 120.51 117.30 1b2k n ALA 107 Ca 0.04 0.07 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 1b2k n ALA 107 Cb 0.14 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 1b2k n ALA 107 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1b2k s TRP 108 N -3.28 3.33 0.24 0.00 0.51 -0.53 -4.98 118.94 114.23 1b2k s TRP 108 Ca 0.05 -1.55 -0.06 0.00 -2.12 0.00 0.00 56.10 52.41 1b2k s TRP 108 Cb 0.09 -2.77 0.27 0.00 -0.81 0.00 0.00 33.47 30.26 1b2k s TRP 108 CO 0.38 -0.82 1.90 -0.24 -0.51 0.00 0.00 176.95 177.67 1b2k h VAL 109 N 6.12 1.19 -0.76 4.03 3.04 -1.85 -1.40 116.25 126.62 1b2k h VAL 109 Ca -0.22 -0.42 -0.02 0.00 -1.01 0.00 0.00 66.70 65.03 1b2k h VAL 109 Cb 1.08 -0.14 -0.04 0.00 -2.01 0.00 0.00 31.29 30.19 1b2k h VAL 109 CO 0.71 0.22 0.39 0.00 -1.01 0.00 0.00 177.57 177.87 1b2k h ALA 110 N 1.37 1.25 -0.09 3.17 0.00 -1.93 -0.75 119.26 122.27 1b2k h ALA 110 Ca 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1b2k h ALA 110 Cb -0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 1b2k h ALA 110 CO -0.10 0.59 -0.00 2.35 0.00 0.00 0.00 179.25 182.08 1b2k h TRP 111 N 1.07 0.18 0.00 0.00 7.01 -1.68 -0.03 115.95 122.50 1b2k h TRP 111 Ca 0.27 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 1b2k h TRP 111 Cb 0.07 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1b2k h TRP 111 CO 0.01 0.43 -0.03 0.07 -2.79 0.00 0.00 178.44 176.12 1b2k h ARG 112 N -0.13 0.00 0.03 2.65 0.11 -0.93 0.34 114.38 116.46 1b2k h ARG 112 Ca 0.02 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.75 1b2k h ARG 112 Cb 0.36 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.39 1b2k h ARG 112 CO 0.01 0.03 -2.13 0.09 0.10 0.00 0.00 179.97 178.06 1b2k n ASN 113 N -3.25 1.21 -0.00 0.08 5.03 -0.32 -4.41 115.26 113.59 1b2k n ASN 113 Ca -0.01 0.13 0.01 0.00 0.87 0.00 0.00 54.58 55.57 1b2k n ASN 113 Cb 0.20 -0.06 -0.01 0.00 -1.02 0.00 0.00 39.78 38.88 1b2k n ASN 113 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1b2k n ARG 114 N -3.12 6.10 -0.05 3.52 5.12 -0.04 -4.84 116.66 123.35 1b2k n ARG 114 Ca -0.31 -0.02 -0.08 0.00 -1.93 0.00 0.00 57.85 55.50 1b2k n ARG 114 Cb 1.06 -0.61 -0.04 0.00 -1.16 0.00 0.00 32.46 31.71 1b2k n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1b2k n LYS 116 N -2.99 2.20 -0.83 0.00 4.81 0.04 -2.10 118.16 119.29 1b2k n LYS 116 Ca -0.18 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 1b2k n LYS 116 Cb 0.67 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.21 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 2.71 0.74 3.70 3.14 0.00 -1.26 -4.93 105.19 109.29 1b2k n GLY 117 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1b2k n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b2k s THR 118 N -2.79 2.31 -1.06 2.61 -4.23 -0.89 -5.05 115.64 106.54 1b2k s THR 118 Ca 0.00 -1.79 -0.20 0.00 -1.18 0.00 0.00 61.69 58.52 1b2k s THR 118 Cb 0.00 -2.97 0.09 0.00 1.34 0.00 0.00 72.50 70.95 1b2k s THR 118 CO 0.00 -0.03 1.41 -0.62 -0.54 0.00 0.00 174.62 174.84 1b2k s ASP 119 N -3.84 6.64 0.00 3.99 -1.08 -1.26 -4.81 116.67 116.31 1b2k s ASP 119 Ca 0.39 -1.91 0.09 0.00 -0.52 0.00 0.00 52.55 50.60 1b2k s ASP 119 Cb 0.04 -2.51 0.41 0.00 -1.46 0.00 0.00 42.92 39.41 1b2k s ASP 119 CO 0.21 -1.27 1.21 1.33 0.52 0.00 0.00 175.17 177.17 1b2k n VAL 120 N 6.23 1.06 0.29 1.11 0.24 -1.26 -2.20 118.33 123.80 1b2k n VAL 120 Ca 0.33 0.27 0.16 0.00 -2.04 0.00 0.00 64.34 63.06 1b2k n VAL 120 Cb 0.49 -1.12 0.87 0.00 -1.47 0.00 0.00 33.84 32.61 1b2k n VAL 120 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1b2k h GLN 121 N 0.00 0.00 0.00 7.34 4.20 -1.90 -1.66 115.11 123.10 1b2k h GLN 121 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1b2k h GLN 121 Cb 0.11 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1b2k h GLN 121 CO 0.00 0.06 -0.05 0.00 -0.67 0.00 0.00 178.83 178.17 1b2k h ALA 122 N 1.94 1.51 0.00 3.87 0.00 -1.85 -2.38 119.26 122.36 1b2k h ALA 122 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1b2k h ALA 122 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1b2k h ALA 122 CO 0.01 0.06 0.00 -1.49 0.00 0.00 0.00 179.25 177.83 1b2k h TRP 123 N 0.00 0.00 -0.09 0.00 4.06 -1.54 -2.94 115.95 115.44 1b2k h TRP 123 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1b2k h TRP 123 Cb 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.28 1b2k h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1b2k n ILE 124 N -2.41 0.95 -2.02 1.49 -5.35 -0.91 -4.78 119.36 106.32 1b2k n ILE 124 Ca 0.03 -0.97 -0.41 0.00 -0.27 0.00 0.00 62.75 61.12 1b2k n ILE 124 Cb 0.31 0.53 -0.02 0.00 -1.74 0.00 0.00 39.64 38.72 1b2k n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1b2k s ARG 125 N -0.96 4.27 0.00 6.28 3.52 -1.10 -2.12 118.95 128.84 1b2k s ARG 125 Ca 0.06 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 1b2k s ARG 125 Cb 0.03 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1b2k s ARG 125 CO 0.04 -0.41 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 1b2k n GLY 126 N 2.10 1.91 0.10 8.12 0.00 -1.26 -4.86 105.19 111.29 1b2k n GLY 126 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1b2k n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b2k n ARG 128 N -3.46 -0.92 0.00 0.00 1.74 -1.26 -5.10 116.66 107.65 1b2k n ARG 128 Ca -0.09 0.08 0.01 0.00 -0.77 0.00 0.00 57.85 57.08 1b2k n ARG 128 Cb 1.01 -3.16 0.04 0.00 -1.02 0.00 0.00 32.46 29.34 1b2k n ARG 128 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39