#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wtm s VAL 2 N 0.00 4.31 0.46 3.15 1.01 -1.26 -1.29 120.40 126.78 1wtm s VAL 2 Ca 0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 1wtm s VAL 2 Cb 0.00 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 1wtm s VAL 2 CO 0.00 0.05 0.98 -0.36 0.00 0.00 0.00 175.10 175.78 1wtm s PHE 3 N 1.56 3.21 0.65 5.22 0.40 -0.42 -5.01 117.98 123.59 1wtm s PHE 3 Ca 0.04 1.58 -0.11 0.00 -0.60 0.00 0.00 56.93 57.84 1wtm s PHE 3 Cb -0.17 -2.92 -0.02 0.00 0.51 0.00 0.00 43.02 40.42 1wtm s PHE 3 CO 0.05 -0.39 1.05 0.20 0.70 0.00 0.00 175.22 176.83 1wtm s GLY 4 N -2.21 1.65 0.10 4.36 0.00 -1.26 -4.85 107.32 105.12 1wtm s GLY 4 Ca 0.63 -0.17 -0.29 0.00 0.00 0.00 0.00 44.72 44.89 1wtm s GLY 4 CO 0.17 0.14 1.62 -0.09 0.00 0.00 0.00 173.10 174.94 1wtm h ARG 5 N -0.44 -0.59 -0.06 2.90 2.43 -1.97 -0.24 114.38 116.41 1wtm h ARG 5 Ca -0.44 0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 58.62 1wtm h ARG 5 Cb 1.21 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1wtm h ARG 5 CO 0.62 -0.39 -0.62 0.00 -1.51 0.00 0.00 179.97 178.07 1wtm h GLU 7 N 0.15 0.74 -0.42 0.00 4.81 -1.91 -1.03 114.58 116.93 1wtm h GLU 7 Ca -0.01 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1wtm h GLU 7 Cb 1.13 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1wtm h GLU 7 CO 0.09 0.49 -0.17 1.25 -0.73 0.00 0.00 179.01 179.95 1wtm h LEU 8 N 0.77 0.87 -0.42 1.64 5.85 -0.87 -2.08 115.31 121.07 1wtm h LEU 8 Ca 0.22 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.61 1wtm h LEU 8 Cb -0.07 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.66 1wtm h LEU 8 CO -0.06 1.07 0.07 0.00 -0.34 0.00 0.00 178.44 179.19 1wtm h ALA 9 N 0.83 0.45 -0.40 1.25 0.00 -0.96 0.11 119.26 120.55 1wtm h ALA 9 Ca 0.10 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1wtm h ALA 9 Cb 0.72 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1wtm h ALA 9 CO 0.05 -0.33 0.17 0.00 0.00 0.00 0.00 179.25 179.14 1wtm h ALA 10 N 1.33 0.52 -0.64 0.00 0.00 -1.11 -0.60 119.26 118.77 1wtm h ALA 10 Ca 0.21 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wtm h ALA 10 Cb 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1wtm h ALA 10 CO -0.28 0.12 0.42 0.00 0.00 0.00 0.00 179.25 179.51 1wtm h ALA 11 N 1.01 0.82 -0.56 0.00 0.00 -0.95 -1.12 119.26 118.47 1wtm h ALA 11 Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1wtm h ALA 11 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1wtm h ALA 11 CO -0.01 0.23 0.01 0.52 0.00 0.00 0.00 179.25 180.00 1wtm h MET 12 N 0.85 0.94 -0.59 0.00 2.86 -0.61 -2.40 114.93 115.98 1wtm h MET 12 Ca 0.24 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1wtm h MET 12 Cb -0.08 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 1wtm h MET 12 CO -0.06 0.92 0.30 -0.22 1.06 0.00 0.00 176.91 178.91 1wtm h LYS 13 N 0.87 0.85 -0.00 1.72 3.64 -0.83 -2.24 116.57 120.58 1wtm h LYS 13 Ca 0.16 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1wtm h LYS 13 Cb 0.49 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1wtm h LYS 13 CO 0.02 0.67 -0.10 0.00 -2.27 0.00 0.00 179.45 177.77 1wtm h ARG 14 N 0.81 0.00 -0.65 1.90 3.08 -0.99 -1.77 114.38 116.76 1wtm h ARG 14 Ca 0.21 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1wtm h ARG 14 Cb 0.10 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1wtm h ARG 14 CO -0.03 0.11 0.00 0.72 -1.07 0.00 0.00 179.97 179.70 1wtm n HIS 15 N -4.41 1.26 -1.22 3.04 8.25 -0.92 -4.94 115.22 116.27 1wtm n HIS 15 Ca -0.03 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.97 1wtm n HIS 15 Cb 0.18 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.01 1wtm n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wtm n GLY 16 N 0.70 0.47 0.10 -1.41 0.00 -0.67 -4.96 105.19 99.43 1wtm n GLY 16 Ca 0.19 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.41 1wtm n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wtm h LEU 17 N 0.00 0.00 -9.11 0.99 3.38 -1.60 -3.41 115.31 105.56 1wtm h LEU 17 Ca 0.00 -0.11 -0.56 0.00 0.09 0.00 0.00 57.88 57.30 1wtm h LEU 17 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1wtm h LEU 17 CO 0.00 0.05 1.21 -0.62 0.09 0.00 0.00 178.44 179.18 1wtm s ASP 18 N -4.87 6.25 -0.07 -0.43 2.15 -1.26 -2.14 116.67 116.30 1wtm s ASP 18 Ca 0.04 1.94 0.00 0.00 0.43 0.00 0.00 52.55 54.95 1wtm s ASP 18 Cb 0.11 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1wtm s ASP 18 CO 0.74 -1.32 0.00 0.59 -0.17 0.00 0.00 175.17 175.02 1wtm n ASN 19 N 8.74 -3.65 -4.67 -0.34 5.03 -0.26 -4.86 115.26 115.26 1wtm n ASN 19 Ca 0.21 0.02 -0.42 0.00 0.87 0.00 0.00 54.58 55.25 1wtm n ASN 19 Cb 0.44 -1.21 -0.03 0.00 -1.02 0.00 0.00 39.78 37.96 1wtm n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1wtm s TYR 20 N -1.84 1.86 -1.57 3.10 5.04 -0.91 -1.46 117.35 121.57 1wtm s TYR 20 Ca 0.00 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 1wtm s TYR 20 Cb 0.00 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.28 1wtm s TYR 20 CO 0.00 -4.39 0.00 0.54 -1.34 0.00 0.00 175.55 170.36 1wtm n ARG 21 N 6.93 -1.83 -0.42 4.97 5.12 -1.26 -1.82 116.66 128.34 1wtm n ARG 21 Ca 0.18 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.99 1wtm n ARG 21 Cb 0.42 -5.51 0.00 0.00 -1.16 0.00 0.00 32.46 26.21 1wtm n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wtm n GLY 22 N -0.90 0.72 3.34 -0.13 0.00 -0.54 -5.05 105.19 102.65 1wtm n GLY 22 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1wtm n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wtm s TYR 23 N -2.72 3.23 0.80 1.61 2.02 -0.76 -4.93 117.35 116.61 1wtm s TYR 23 Ca 0.00 -1.09 -0.12 0.00 -0.37 0.00 0.00 57.07 55.48 1wtm s TYR 23 Cb 0.00 -2.36 0.08 0.00 -0.40 0.00 0.00 41.96 39.28 1wtm s TYR 23 CO 0.00 -0.66 1.16 -1.54 -1.57 0.00 0.00 175.55 172.94 1wtm s SER 24 N 1.50 3.81 0.29 2.29 1.04 -1.26 -1.10 113.70 120.27 1wtm s SER 24 Ca 0.01 2.18 0.03 0.00 0.48 0.00 0.00 55.95 58.65 1wtm s SER 24 Cb -0.19 -2.57 0.65 0.00 0.10 0.00 0.00 66.02 64.01 1wtm s SER 24 CO 0.05 -2.51 1.80 0.25 0.98 0.00 0.00 173.24 173.81 1wtm h LEU 25 N -1.03 0.82 -1.98 2.42 5.85 -1.89 -1.42 115.31 118.07 1wtm h LEU 25 Ca -0.45 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.38 1wtm h LEU 25 Cb 1.27 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1wtm h LEU 25 CO 0.47 0.36 0.10 1.23 -0.34 0.00 0.00 178.44 180.25 1wtm h GLY 26 N 0.84 0.02 0.75 3.75 0.00 -1.91 -1.00 103.07 105.52 1wtm h GLY 26 Ca 0.54 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.91 1wtm h GLY 26 CO -0.34 0.01 0.35 3.43 0.00 0.00 0.00 176.54 179.99 1wtm h ASN 27 N 0.02 0.53 -0.06 0.19 2.35 -1.47 -1.12 115.58 116.01 1wtm h ASN 27 Ca 0.06 0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.66 1wtm h ASN 27 Cb 0.23 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1wtm h ASN 27 CO -0.00 0.36 -0.60 -0.50 -1.65 0.00 0.00 177.43 175.04 1wtm h TRP 28 N 0.66 0.85 -0.28 1.19 4.06 -1.30 -0.57 115.95 120.56 1wtm h TRP 28 Ca 0.27 -0.32 -0.08 0.00 2.06 0.00 0.00 58.89 60.81 1wtm h TRP 28 Cb 0.12 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 1wtm h TRP 28 CO -0.08 1.10 -0.15 0.28 -3.56 0.00 0.00 178.44 176.04 1wtm h VAL 29 N 0.50 1.30 -0.43 1.49 2.07 -1.34 -1.72 116.25 118.12 1wtm h VAL 29 Ca -0.00 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.28 1wtm h VAL 29 Cb 1.17 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1wtm h VAL 29 CO 0.12 0.39 0.27 0.00 0.02 0.00 0.00 177.57 178.38 1wtm h ALA 31 N 1.17 0.59 -0.52 0.00 0.00 -1.00 -2.22 119.26 117.27 1wtm h ALA 31 Ca 0.16 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1wtm h ALA 31 Cb -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1wtm h ALA 31 CO -0.05 -0.04 0.04 0.00 0.00 0.00 0.00 179.25 179.21 1wtm h ALA 32 N 1.21 1.09 -0.18 0.00 0.00 -1.02 0.86 119.26 121.22 1wtm h ALA 32 Ca 0.19 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1wtm h ALA 32 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1wtm h ALA 32 CO -0.08 0.59 0.09 -0.22 0.00 0.00 0.00 179.25 179.62 1wtm h LYS 33 N 0.81 0.18 0.00 0.00 1.63 -0.80 -1.79 116.57 116.60 1wtm h LYS 33 Ca 0.16 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1wtm h LYS 33 Cb 0.42 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1wtm h LYS 33 CO 0.01 0.12 -0.64 0.74 -3.45 0.00 0.00 179.45 176.24 1wtm h PHE 34 N 0.19 0.00 0.18 1.91 0.04 -1.16 -0.67 116.94 117.42 1wtm h PHE 34 Ca 0.07 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.57 1wtm h PHE 34 Cb 0.02 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.19 1wtm h PHE 34 CO -0.09 0.00 -1.24 0.93 -0.60 0.00 0.00 178.31 177.31 1wtm h GLU 35 N 0.00 0.37 0.00 1.51 4.39 -0.77 -3.43 114.58 116.65 1wtm h GLU 35 Ca 0.00 -0.64 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1wtm h GLU 35 Cb 0.80 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1wtm h GLU 35 CO 0.00 1.31 0.00 -1.13 -1.16 0.00 0.00 179.01 178.03 1wtm n SER 36 N -3.91 0.24 -3.49 1.42 3.41 -0.69 -4.89 113.62 105.72 1wtm n SER 36 Ca -0.18 -0.90 -0.26 0.00 -0.26 0.00 0.00 58.87 57.27 1wtm n SER 36 Cb 0.95 0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.95 1wtm n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wtm n ASN 37 N -0.03 -4.66 -1.08 4.04 5.15 -0.26 -2.02 115.26 116.39 1wtm n ASN 37 Ca 0.00 -0.51 -0.13 0.00 -0.60 0.00 0.00 54.58 53.34 1wtm n ASN 37 Cb 0.16 -3.78 -0.05 0.00 -0.53 0.00 0.00 39.78 35.59 1wtm n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1wtm n PHE 38 N -4.34 -0.11 -3.80 1.20 3.72 -1.18 -4.84 117.46 108.12 1wtm n PHE 38 Ca -0.01 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.02 1wtm n PHE 38 Cb 0.55 -2.45 -0.12 0.00 -0.94 0.00 0.00 39.48 36.53 1wtm n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1wtm s ASN 39 N -2.78 5.33 0.27 4.37 3.84 -0.86 -1.30 114.94 123.82 1wtm s ASN 39 Ca 0.00 -0.13 0.24 0.00 0.21 0.00 0.00 52.86 53.18 1wtm s ASN 39 Cb 0.00 -1.95 1.01 0.00 -0.55 0.00 0.00 41.25 39.75 1wtm s ASN 39 CO 0.00 0.00 1.72 0.35 -2.79 0.00 0.00 177.10 176.39 1wtm n THR 40 N 4.67 0.82 0.21 -5.21 -2.24 -0.41 -2.75 114.28 109.37 1wtm n THR 40 Ca -0.16 0.24 0.10 0.00 -2.27 0.00 0.00 64.05 61.96 1wtm n THR 40 Cb 0.52 -1.18 0.19 0.00 -2.10 0.00 0.00 70.33 67.75 1wtm n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wtm n GLN 41 N -2.28 2.33 -1.84 -0.78 6.02 -1.26 -4.02 117.38 115.55 1wtm n GLN 41 Ca 0.02 -2.14 -0.41 0.00 -0.01 0.00 0.00 57.00 54.46 1wtm n GLN 41 Cb 0.23 -1.44 -0.01 0.00 1.02 0.00 0.00 30.24 30.03 1wtm n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wtm s ALA 42 N -1.32 3.63 0.02 -1.58 0.00 -1.11 -4.78 121.76 116.63 1wtm s ALA 42 Ca 0.34 1.52 0.01 0.00 0.00 0.00 0.00 51.96 53.83 1wtm s ALA 42 Cb 0.20 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1wtm s ALA 42 CO 0.27 -0.96 -0.04 0.95 0.00 0.00 0.00 175.76 175.98 1wtm s THR 43 N -0.64 0.25 -0.07 0.00 -4.23 -1.26 -0.41 115.64 109.29 1wtm s THR 43 Ca 0.56 -0.73 -0.03 0.00 -1.18 0.00 0.00 61.69 60.32 1wtm s THR 43 Cb -0.46 -0.33 0.04 0.00 1.34 0.00 0.00 72.50 73.09 1wtm s THR 43 CO 0.55 -0.31 0.15 0.20 -0.54 0.00 0.00 174.62 174.67 1wtm s ASN 44 N -1.09 0.00 0.18 3.99 -0.87 -0.81 -4.97 114.94 111.37 1wtm s ASN 44 Ca -0.09 0.30 -0.18 0.00 -1.57 0.00 0.00 52.86 51.31 1wtm s ASN 44 Cb -0.07 0.20 -0.08 0.00 -0.02 0.00 0.00 41.25 41.28 1wtm s ASN 44 CO -0.00 -0.16 0.66 -0.13 -2.57 0.00 0.00 177.10 174.90 1wtm s ARG 45 N 1.32 4.18 0.33 -0.60 1.81 -1.26 -0.56 118.95 124.17 1wtm s ARG 45 Ca -0.08 0.76 0.09 0.00 -1.72 0.00 0.00 55.73 54.78 1wtm s ARG 45 Cb -0.12 -2.95 -0.05 0.00 -0.45 0.00 0.00 34.95 31.39 1wtm s ARG 45 CO -0.06 0.45 0.02 -0.80 -0.68 0.00 0.00 175.30 174.23 1wtm s ASN 46 N -1.60 4.27 0.51 0.23 0.01 -0.14 -4.97 114.94 113.26 1wtm s ASN 46 Ca 0.40 -0.92 0.32 0.00 -0.71 0.00 0.00 52.86 51.95 1wtm s ASN 46 Cb -0.17 -0.59 1.27 0.00 0.41 0.00 0.00 41.25 42.17 1wtm s ASN 46 CO 0.20 -0.21 1.94 0.71 -1.51 0.00 0.00 177.10 178.23 1wtm h THR 47 N 1.79 0.00 -0.19 1.60 1.35 -1.99 -2.60 112.91 112.87 1wtm h THR 47 Ca -0.43 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1wtm h THR 47 Cb 1.25 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1wtm h THR 47 CO 0.65 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.02 1wtm n ASP 48 N -3.00 1.13 0.00 5.36 5.75 -1.26 -4.88 116.55 119.64 1wtm n ASP 48 Ca 0.01 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1wtm n ASP 48 Cb 0.31 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1wtm n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wtm n GLY 49 N 0.87 0.94 3.93 6.12 0.00 -0.98 -4.78 105.19 111.29 1wtm n GLY 49 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1wtm n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wtm s SER 50 N -2.99 5.48 0.03 1.61 1.04 -1.26 -4.51 113.70 113.10 1wtm s SER 50 Ca 0.00 0.48 0.04 0.00 0.48 0.00 0.00 55.95 56.95 1wtm s SER 50 Cb 0.00 -1.46 -0.02 0.00 0.10 0.00 0.00 66.02 64.64 1wtm s SER 50 CO 0.00 -1.08 -0.11 -0.89 0.98 0.00 0.00 173.24 172.14 1wtm s THR 51 N -2.91 0.89 -0.14 2.02 2.01 -1.26 -0.97 115.64 115.28 1wtm s THR 51 Ca 0.54 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 61.54 1wtm s THR 51 Cb -0.10 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1wtm s THR 51 CO 0.43 -0.04 0.28 -1.81 -0.69 0.00 0.00 174.62 172.79 1wtm s ASP 52 N -1.02 6.46 -0.10 3.53 1.01 0.28 -1.34 116.67 125.48 1wtm s ASP 52 Ca -0.00 0.54 0.04 0.00 0.71 0.00 0.00 52.55 53.83 1wtm s ASP 52 Cb -0.07 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.69 1wtm s ASP 52 CO 0.01 0.16 -0.22 -0.31 0.21 0.00 0.00 175.17 175.01 1wtm s TYR 53 N 0.15 2.40 0.00 4.23 1.51 -0.01 -1.92 117.35 123.72 1wtm s TYR 53 Ca 0.17 -1.00 0.00 0.00 -1.01 0.00 0.00 57.07 55.23 1wtm s TYR 53 Cb -0.13 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 1wtm s TYR 53 CO 0.05 -0.42 0.00 0.41 -1.11 0.00 0.00 175.55 174.48 1wtm n GLY 54 N 3.62 -1.91 0.25 0.71 0.00 0.46 -1.64 105.19 106.68 1wtm n GLY 54 Ca -0.20 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.31 1wtm n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wtm h ILE 55 N 0.00 0.71 -0.23 -0.61 2.10 -1.70 -1.40 117.51 116.38 1wtm h ILE 55 Ca 0.00 -0.54 0.00 0.00 1.08 0.00 0.00 64.86 65.40 1wtm h ILE 55 Cb 0.00 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 1wtm h ILE 55 CO 0.00 0.13 0.00 0.18 -1.08 0.00 0.00 178.15 177.38 1wtm n LEU 56 N -3.82 3.22 -3.76 2.19 4.77 -1.26 -4.29 117.00 114.04 1wtm n LEU 56 Ca -0.02 -2.60 -0.28 0.00 -0.03 0.00 0.00 56.01 53.08 1wtm n LEU 56 Cb 0.23 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1wtm n LEU 56 CO 0.32 0.68 -0.12 0.00 -1.33 0.00 0.00 177.39 176.94 1wtm n GLN 57 N -0.29 -2.35 -2.76 3.23 1.13 -0.53 -4.90 117.38 110.91 1wtm n GLN 57 Ca 0.16 0.47 -0.41 0.00 -1.94 0.00 0.00 57.00 55.27 1wtm n GLN 57 Cb 0.65 -4.40 -0.04 0.00 0.11 0.00 0.00 30.24 26.56 1wtm n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1wtm s ILE 58 N -3.64 4.71 0.01 5.09 1.01 -0.65 -4.38 121.20 123.34 1wtm s ILE 58 Ca 0.27 1.99 -0.19 0.00 0.00 0.00 0.00 60.65 62.72 1wtm s ILE 58 Cb -0.10 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 1wtm s ILE 58 CO 0.86 0.25 0.54 0.21 0.00 0.00 0.00 174.94 176.81 1wtm s ASN 59 N 0.45 6.94 0.00 3.58 3.84 -1.26 -0.83 114.94 127.67 1wtm s ASN 59 Ca 0.48 1.12 0.28 0.00 0.21 0.00 0.00 52.86 54.94 1wtm s ASN 59 Cb -0.22 -2.33 1.34 0.00 -0.55 0.00 0.00 41.25 39.49 1wtm s ASN 59 CO 0.28 0.18 1.94 -1.54 -2.79 0.00 0.00 177.10 175.16 1wtm n SER 60 N 2.38 0.00 -0.06 -4.21 3.41 -0.45 -1.76 113.62 112.93 1wtm n SER 60 Ca -0.09 0.07 -0.14 0.00 -0.26 0.00 0.00 58.87 58.45 1wtm n SER 60 Cb 0.51 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 1wtm n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1wtm h ARG 61 N 0.00 0.83 0.00 4.33 9.65 -1.84 -3.40 114.38 123.94 1wtm h ARG 61 Ca 0.00 -0.52 -0.18 0.00 -1.10 0.00 0.00 59.98 58.17 1wtm h ARG 61 Cb 0.32 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 1wtm h ARG 61 CO 0.00 1.16 -1.68 0.91 2.80 0.00 0.00 179.97 183.15 1wtm n TRP 62 N -4.00 0.00 -0.04 2.20 7.02 -1.21 -2.07 117.44 119.34 1wtm n TRP 62 Ca -0.04 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.38 1wtm n TRP 62 Cb 0.63 -0.48 -0.04 0.00 -2.42 0.00 0.00 31.31 28.99 1wtm n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1wtm n TRP 63 N -2.57 0.00 -4.34 -5.99 7.02 -0.72 -0.68 117.44 110.16 1wtm n TRP 63 Ca -0.18 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.12 1wtm n TRP 63 Cb 0.78 -0.35 -0.10 0.00 -2.42 0.00 0.00 31.31 29.22 1wtm n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wtm s ASN 65 N -3.31 5.76 0.00 0.00 2.47 -0.64 -4.47 114.94 114.74 1wtm s ASN 65 Ca 0.24 -0.04 0.08 0.00 0.42 0.00 0.00 52.86 53.57 1wtm s ASN 65 Cb 0.03 -2.05 0.16 0.00 -1.45 0.00 0.00 41.25 37.94 1wtm s ASN 65 CO 0.07 -0.01 1.02 -0.90 -3.72 0.00 0.00 177.10 173.56 1wtm n ASP 66 N 4.78 2.28 0.00 -4.21 5.68 -1.26 -1.17 116.55 122.65 1wtm n ASP 66 Ca -0.15 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 1wtm n ASP 66 Cb 0.52 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1wtm n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wtm n GLY 67 N 0.35 0.54 0.23 6.12 0.00 -1.26 -4.77 105.19 106.40 1wtm n GLY 67 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1wtm n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wtm n ARG 68 N -1.89 0.00 -3.98 1.61 1.85 -1.26 -5.03 116.66 107.96 1wtm n ARG 68 Ca 0.00 -0.70 -0.34 0.00 -1.00 0.00 0.00 57.85 55.81 1wtm n ARG 68 Cb 0.06 -0.48 -0.14 0.00 -1.05 0.00 0.00 32.46 30.85 1wtm n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1wtm s THR 69 N 0.00 2.72 0.28 8.89 2.01 -1.26 -4.87 115.64 123.41 1wtm s THR 69 Ca 0.00 -1.25 -0.30 0.00 0.31 0.00 0.00 61.69 60.45 1wtm s THR 69 Cb 0.00 -2.47 -0.11 0.00 0.01 0.00 0.00 72.50 69.93 1wtm s THR 69 CO 0.00 0.08 1.56 -2.16 -0.69 0.00 0.00 174.62 173.41 1wtm s PRO 70 N 1.26 4.16 0.00 4.92 0.04 -1.26 -3.02 135.00 141.09 1wtm s PRO 70 Ca -0.03 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1wtm s PRO 70 Cb -0.18 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1wtm s PRO 70 CO -0.04 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.83 1wtm n GLY 71 N 2.14 0.53 3.77 0.56 0.00 -1.26 -4.97 105.19 105.96 1wtm n GLY 71 Ca 0.08 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1wtm n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wtm s SER 72 N -2.30 6.39 -0.01 1.61 0.01 -1.17 -4.90 113.70 113.33 1wtm s SER 72 Ca 0.00 2.85 0.12 0.00 1.31 0.00 0.00 55.95 60.23 1wtm s SER 72 Cb 0.00 -2.65 -0.17 0.00 0.21 0.00 0.00 66.02 63.40 1wtm s SER 72 CO 0.00 -0.81 0.33 0.54 0.41 0.00 0.00 173.24 173.70 1wtm n ARG 73 N 0.40 1.10 -4.01 12.44 5.12 -0.88 -5.02 116.66 125.81 1wtm n ARG 73 Ca 0.02 -0.08 -0.40 0.00 -1.93 0.00 0.00 57.85 55.46 1wtm n ARG 73 Cb 0.41 -1.23 0.01 0.00 -1.16 0.00 0.00 32.46 30.49 1wtm n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1wtm n ASN 74 N -1.75 -3.45 0.25 0.55 5.15 -1.05 -4.86 115.26 110.10 1wtm n ASN 74 Ca -0.01 -1.21 0.14 0.00 -0.60 0.00 0.00 54.58 52.90 1wtm n ASN 74 Cb 0.28 -2.17 0.44 0.00 -0.53 0.00 0.00 39.78 37.80 1wtm n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1wtm h LEU 75 N -2.30 0.00 -0.18 1.20 3.38 -0.85 -1.47 115.31 115.09 1wtm h LEU 75 Ca -0.69 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1wtm h LEU 75 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1wtm h LEU 75 CO 0.54 0.03 -0.17 0.00 0.09 0.00 0.00 178.44 178.93 1wtm n ASN 77 N -1.10 -3.33 -3.76 0.00 5.15 -0.55 -4.98 115.26 106.69 1wtm n ASN 77 Ca 0.12 -0.87 -0.13 0.00 -0.60 0.00 0.00 54.58 53.10 1wtm n ASN 77 Cb 0.30 -4.01 -0.10 0.00 -0.53 0.00 0.00 39.78 35.44 1wtm n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1wtm s ILE 78 N -3.57 0.02 0.37 -1.44 1.10 -1.26 -5.08 121.20 111.34 1wtm s ILE 78 Ca 0.22 -0.14 -0.27 0.00 -0.51 0.00 0.00 60.65 59.95 1wtm s ILE 78 Cb -0.06 -0.51 -0.10 0.00 0.15 0.00 0.00 42.46 41.94 1wtm s ILE 78 CO 0.82 -0.08 1.35 -2.84 -2.11 0.00 0.00 174.94 172.08 1wtm s PRO 79 N -0.27 4.13 0.52 3.50 0.02 -1.26 -1.62 135.00 140.02 1wtm s PRO 79 Ca -0.04 2.29 0.16 0.00 0.02 0.00 0.00 61.00 63.43 1wtm s PRO 79 Cb -0.03 -2.92 1.26 0.00 0.02 0.00 0.00 34.50 32.83 1wtm s PRO 79 CO 0.02 -0.41 2.14 0.00 -0.33 0.00 0.00 177.00 178.42 1wtm h SER 81 N 0.00 0.00 0.42 0.00 4.64 -1.91 -0.56 113.55 116.13 1wtm h SER 81 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1wtm h SER 81 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1wtm h SER 81 CO 0.00 0.01 -0.06 0.00 -0.87 0.00 0.00 176.83 175.92 1wtm h ALA 82 N 1.99 1.15 -0.01 5.18 0.00 -1.78 -2.12 119.26 123.68 1wtm h ALA 82 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wtm h ALA 82 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wtm h ALA 82 CO 0.00 0.07 -0.01 1.28 0.00 0.00 0.00 179.25 180.60 1wtm n LEU 83 N -3.37 0.57 -1.06 0.00 4.77 -0.22 -3.14 117.00 114.55 1wtm n LEU 83 Ca -0.02 -0.18 0.09 0.00 -0.03 0.00 0.00 56.01 55.88 1wtm n LEU 83 Cb 0.21 -0.02 0.25 0.00 -2.33 0.00 0.00 43.42 41.53 1wtm n LEU 83 CO 0.27 0.10 0.72 0.18 -1.33 0.00 0.00 177.39 177.32 1wtm n LEU 84 N -0.58 3.59 -4.75 2.23 4.77 -0.79 -4.20 117.00 117.26 1wtm n LEU 84 Ca 0.21 -2.06 -0.32 0.00 -0.03 0.00 0.00 56.01 53.81 1wtm n LEU 84 Cb 0.21 -0.39 0.08 0.00 -2.33 0.00 0.00 43.42 41.00 1wtm n LEU 84 CO 0.18 0.86 0.73 -0.55 -1.33 0.00 0.00 177.39 177.28 1wtm s SER 85 N -1.02 4.47 0.27 -1.43 0.15 -1.19 -4.62 113.70 110.33 1wtm s SER 85 Ca 0.38 2.05 0.26 0.00 0.70 0.00 0.00 55.95 59.33 1wtm s SER 85 Cb 0.21 -2.55 0.86 0.00 -1.71 0.00 0.00 66.02 62.83 1wtm s SER 85 CO 0.25 -2.07 1.75 0.77 1.20 0.00 0.00 173.24 175.15 1wtm h SER 86 N -0.61 0.00 -3.38 5.45 4.64 -1.92 -3.42 113.55 114.30 1wtm h SER 86 Ca -0.46 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.28 1wtm h SER 86 Cb 1.25 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.26 1wtm h SER 86 CO 0.51 0.00 -0.02 -0.62 -0.87 0.00 0.00 176.83 175.83 1wtm s ASP 87 N -4.64 6.72 0.00 4.97 -1.08 -1.26 -4.92 116.67 116.46 1wtm s ASP 87 Ca 0.08 0.87 0.28 0.00 -0.52 0.00 0.00 52.55 53.25 1wtm s ASP 87 Cb 0.11 -2.33 1.38 0.00 -1.46 0.00 0.00 42.92 40.62 1wtm s ASP 87 CO 0.53 -0.11 1.92 2.30 0.52 0.00 0.00 175.17 180.33 1wtm n ILE 88 N 4.07 0.02 -0.09 4.11 -5.35 -1.26 -4.40 119.36 116.46 1wtm n ILE 88 Ca -0.04 -0.13 -0.06 0.00 -0.27 0.00 0.00 62.75 62.25 1wtm n ILE 88 Cb 0.51 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.39 1wtm n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1wtm h THR 89 N 1.10 0.56 -0.51 7.28 2.02 -1.95 -0.65 112.91 120.76 1wtm h THR 89 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1wtm h THR 89 Cb 0.23 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1wtm h THR 89 CO 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.88 1wtm h ALA 90 N 1.20 1.03 -0.50 6.16 0.00 -1.87 -0.35 119.26 124.93 1wtm h ALA 90 Ca 0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1wtm h ALA 90 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1wtm h ALA 90 CO -0.38 0.60 0.15 0.77 0.00 0.00 0.00 179.25 180.39 1wtm h SER 91 N 0.80 0.74 -0.49 0.00 0.02 -1.71 -1.80 113.55 111.11 1wtm h SER 91 Ca 0.15 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1wtm h SER 91 Cb 0.49 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1wtm h SER 91 CO 0.02 0.76 0.07 0.58 -1.14 0.00 0.00 176.83 177.12 1wtm h VAL 92 N 0.69 1.25 -0.51 2.27 2.07 -0.72 0.69 116.25 121.99 1wtm h VAL 92 Ca 0.16 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1wtm h VAL 92 Cb 0.28 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1wtm h VAL 92 CO -0.00 0.34 0.09 0.78 0.02 0.00 0.00 177.57 178.79 1wtm h ASN 93 N 0.69 0.75 -0.22 0.57 2.35 -0.96 -1.07 115.58 117.69 1wtm h ASN 93 Ca 0.15 -0.15 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 1wtm h ASN 93 Cb 0.41 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.59 1wtm h ASN 93 CO 0.01 0.76 -0.63 0.00 -1.65 0.00 0.00 177.43 175.93 1wtm h ALA 95 N 0.61 1.41 -0.89 0.00 0.00 -0.43 -0.74 119.26 119.22 1wtm h ALA 95 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wtm h ALA 95 Cb 1.25 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1wtm h ALA 95 CO 0.14 0.36 0.59 0.87 0.00 0.00 0.00 179.25 181.21 1wtm h LYS 96 N 1.10 1.17 -0.46 0.00 1.57 -1.13 -0.71 116.57 118.11 1wtm h LYS 96 Ca 0.45 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 1wtm h LYS 96 Cb 0.26 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1wtm h LYS 96 CO -0.20 0.77 0.16 -0.22 -0.57 0.00 0.00 179.45 179.39 1wtm h LYS 97 N 1.20 0.71 -0.47 3.15 3.64 -1.18 -2.92 116.57 120.71 1wtm h LYS 97 Ca 0.33 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1wtm h LYS 97 Cb -0.12 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 1wtm h LYS 97 CO -0.08 0.66 0.31 0.82 -2.27 0.00 0.00 179.45 178.89 1wtm h ILE 98 N 0.61 1.11 0.00 2.00 2.04 -0.63 -2.34 117.51 120.30 1wtm h ILE 98 Ca 0.15 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1wtm h ILE 98 Cb 0.24 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1wtm h ILE 98 CO -0.01 0.11 -0.01 1.62 0.00 0.00 0.00 178.15 179.87 1wtm h VAL 99 N 0.63 0.02 0.00 1.67 3.04 -1.16 -2.78 116.25 117.66 1wtm h VAL 99 Ca 0.17 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1wtm h VAL 99 Cb -0.06 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1wtm h VAL 99 CO -0.04 0.01 -0.53 -1.20 -1.01 0.00 0.00 177.57 174.79 1wtm n SER 100 N -3.10 0.52 -0.03 3.17 7.64 -1.00 -3.61 113.62 117.21 1wtm n SER 100 Ca 0.01 -0.22 -0.11 0.00 1.01 0.00 0.00 58.87 59.57 1wtm n SER 100 Cb 0.37 0.27 -0.05 0.00 -1.01 0.00 0.00 64.21 63.79 1wtm n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1wtm h ASP 101 N 0.00 0.20 0.00 6.43 3.58 -1.13 -3.47 116.42 122.02 1wtm h ASP 101 Ca 0.00 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1wtm h ASP 101 Cb 0.53 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1wtm h ASP 101 CO 0.00 0.25 0.00 0.61 -2.88 0.00 0.00 179.24 177.22 1wtm n GLY 102 N -0.86 -2.07 1.89 -0.78 0.00 -1.26 -5.04 105.19 97.08 1wtm n GLY 102 Ca -0.04 0.72 -0.12 0.00 0.00 0.00 0.00 46.02 46.57 1wtm n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wtm n ASN 103 N -0.35 5.86 0.00 1.61 4.05 -1.26 -4.92 115.26 120.25 1wtm n ASN 103 Ca 0.00 -2.76 0.00 0.00 0.45 0.00 0.00 54.58 52.27 1wtm n ASN 103 Cb 0.00 -1.18 0.00 0.00 1.23 0.00 0.00 39.78 39.83 1wtm n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wtm n GLY 104 N 1.25 3.06 0.48 8.20 0.00 -1.24 -1.61 105.19 115.33 1wtm n GLY 104 Ca 0.26 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1wtm n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wtm n MET 105 N 14.00 1.63 0.10 1.61 2.81 -1.26 -4.00 117.12 132.00 1wtm n MET 105 Ca 0.00 -0.94 0.09 0.00 -1.81 0.00 0.00 57.70 55.03 1wtm n MET 105 Cb 0.00 -1.37 0.41 0.00 -0.71 0.00 0.00 33.22 31.54 1wtm n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1wtm n ASN 106 N 0.17 0.40 0.29 7.83 5.03 -0.63 -1.70 115.26 126.65 1wtm n ASN 106 Ca 0.16 0.64 0.13 0.00 0.87 0.00 0.00 54.58 56.38 1wtm n ASN 106 Cb 0.29 -0.71 0.84 0.00 -1.02 0.00 0.00 39.78 39.18 1wtm n ASN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wtm h ALA 107 N 2.18 1.57 -2.24 5.41 0.00 -1.74 -3.39 119.26 121.05 1wtm h ALA 107 Ca 0.00 -0.02 -0.71 0.00 0.00 0.00 0.00 54.91 54.19 1wtm h ALA 107 Cb 0.17 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.76 1wtm h ALA 107 CO 0.00 0.03 -0.15 -1.58 0.00 0.00 0.00 179.25 177.54 1wtm s TRP 108 N -4.65 3.15 0.25 0.00 0.51 -0.69 -4.94 118.94 112.57 1wtm s TRP 108 Ca -0.05 -0.64 -0.06 0.00 -2.12 0.00 0.00 56.10 53.24 1wtm s TRP 108 Cb 0.15 -3.24 0.28 0.00 -0.81 0.00 0.00 33.47 29.85 1wtm s TRP 108 CO 0.57 -0.87 1.91 -0.24 -0.51 0.00 0.00 176.95 177.82 1wtm h VAL 109 N 5.79 1.20 -0.02 4.03 3.04 -1.86 -1.62 116.25 126.82 1wtm h VAL 109 Ca -0.28 -0.43 -0.12 0.00 -1.01 0.00 0.00 66.70 64.86 1wtm h VAL 109 Cb 1.10 -0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 30.20 1wtm h VAL 109 CO 0.89 0.23 -0.54 0.00 -1.01 0.00 0.00 177.57 177.14 1wtm h ALA 110 N 1.38 1.07 -0.13 3.17 0.00 -1.92 -1.62 119.26 121.20 1wtm h ALA 110 Ca 0.37 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1wtm h ALA 110 Cb -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wtm h ALA 110 CO -0.10 0.68 0.02 2.35 0.00 0.00 0.00 179.25 182.20 1wtm h TRP 111 N 0.05 0.23 -0.82 0.00 7.01 -1.67 -0.06 115.95 120.70 1wtm h TRP 111 Ca -0.00 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 60.99 1wtm h TRP 111 Cb 0.97 -0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.92 1wtm h TRP 111 CO 0.00 0.40 0.53 0.00 -2.79 0.00 0.00 178.44 176.59 1wtm h ARG 112 N -0.00 1.03 0.06 2.65 3.08 -0.99 -0.38 114.38 119.82 1wtm h ARG 112 Ca 0.04 -0.06 -0.28 0.00 0.07 0.00 0.00 59.98 59.75 1wtm h ARG 112 Cb 0.30 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1wtm h ARG 112 CO 0.00 0.68 -1.42 -0.91 -1.07 0.00 0.00 179.97 177.25 1wtm h ASN 113 N 1.06 0.21 0.00 7.04 2.35 -1.28 -3.39 115.58 121.57 1wtm h ASN 113 Ca 0.32 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1wtm h ASN 113 Cb -0.05 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1wtm h ASN 113 CO -0.09 1.24 -0.10 0.54 -1.65 0.00 0.00 177.43 177.37 1wtm n ARG 114 N -3.34 6.32 -0.04 0.81 1.74 -0.04 -4.82 116.66 117.29 1wtm n ARG 114 Ca -0.12 -0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.88 1wtm n ARG 114 Cb 1.02 -0.55 -0.03 0.00 -1.02 0.00 0.00 32.46 31.88 1wtm n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wtm n LYS 116 N -3.30 2.36 -0.20 0.00 4.81 -0.28 -1.59 118.16 119.97 1wtm n LYS 116 Ca -0.16 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1wtm n LYS 116 Cb 0.62 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 33.06 1wtm n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wtm n GLY 117 N 2.87 0.75 3.83 3.14 0.00 -1.26 -4.91 105.19 109.62 1wtm n GLY 117 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1wtm n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wtm s THR 118 N -2.50 2.61 -0.93 2.61 -4.23 -0.62 -5.04 115.64 107.54 1wtm s THR 118 Ca 0.00 -1.46 -0.24 0.00 -1.18 0.00 0.00 61.69 58.81 1wtm s THR 118 Cb 0.00 -3.01 0.02 0.00 1.34 0.00 0.00 72.50 70.85 1wtm s THR 118 CO 0.00 -0.02 1.56 -0.62 -0.54 0.00 0.00 174.62 175.00 1wtm s ASP 119 N -4.05 6.08 0.26 3.99 2.15 -1.26 -4.81 116.67 119.03 1wtm s ASP 119 Ca 0.45 -1.04 0.25 0.00 0.43 0.00 0.00 52.55 52.65 1wtm s ASP 119 Cb -0.01 -2.56 0.88 0.00 -0.30 0.00 0.00 42.92 40.93 1wtm s ASP 119 CO 0.26 -1.88 1.75 -0.37 -0.17 0.00 0.00 175.17 174.76 1wtm h VAL 120 N 6.80 0.00 0.00 1.11 -1.51 -1.91 -2.91 116.25 117.83 1wtm h VAL 120 Ca 0.08 -0.41 -0.01 0.00 -1.23 0.00 0.00 66.70 65.14 1wtm h VAL 120 Cb 1.02 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 31.48 1wtm h VAL 120 CO 1.35 0.00 -0.03 -0.61 -1.23 0.00 0.00 177.57 177.05 1wtm h GLN 121 N 0.00 0.00 -0.03 5.19 4.15 -1.88 -1.67 115.11 120.87 1wtm h GLN 121 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1wtm h GLN 121 Cb 0.59 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 1wtm h GLN 121 CO 0.00 0.03 0.03 0.00 -1.93 0.00 0.00 178.83 176.96 1wtm h ALA 122 N 1.97 1.66 0.00 3.38 0.00 -1.92 -1.87 119.26 122.48 1wtm h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wtm h ALA 122 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wtm h ALA 122 CO 0.00 -0.04 0.00 -1.49 0.00 0.00 0.00 179.25 177.72 1wtm h TRP 123 N 0.00 0.00 -0.18 0.00 4.06 -1.53 -2.76 115.95 115.53 1wtm h TRP 123 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1wtm h TRP 123 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1wtm h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1wtm n ILE 124 N -3.08 0.56 -1.99 1.49 -5.35 -0.71 -4.87 119.36 105.41 1wtm n ILE 124 Ca -0.01 -0.78 -0.41 0.00 -0.27 0.00 0.00 62.75 61.28 1wtm n ILE 124 Cb 0.22 0.81 -0.02 0.00 -1.74 0.00 0.00 39.64 38.91 1wtm n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1wtm s ARG 125 N -0.93 4.26 0.00 6.28 3.52 -1.05 -2.32 118.95 128.72 1wtm s ARG 125 Ca 0.17 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 58.10 1wtm s ARG 125 Cb 0.10 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 1wtm s ARG 125 CO 0.13 -0.41 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 1wtm n GLY 126 N 1.94 1.47 3.83 8.12 0.00 -1.26 -5.02 105.19 114.26 1wtm n GLY 126 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1wtm n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wtm s ARG 128 N -1.86 3.27 0.00 0.00 3.52 -1.26 -5.12 118.95 117.49 1wtm s ARG 128 Ca 0.38 -0.46 0.10 0.00 -0.13 0.00 0.00 55.73 55.62 1wtm s ARG 128 Cb -0.16 -4.06 0.08 0.00 -1.56 0.00 0.00 34.95 29.25 1wtm s ARG 128 CO 0.20 -1.35 0.81 1.28 -0.81 0.00 0.00 175.30 175.42