#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w4t h GLN 5 N 0.00 -0.85 -0.51 4.33 -0.00 -2.04 0.22 115.11 116.25 2w4t h GLN 5 Ca 0.00 0.06 0.15 0.00 -0.00 0.00 0.00 58.65 58.86 2w4t h GLN 5 Cb 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 27.48 27.65 2w4t h GLN 5 CO 0.00 -0.56 0.69 0.38 0.00 0.00 0.00 178.83 179.34 2w4t h ASP 6 N -1.21 0.00 0.11 -0.69 2.03 -2.05 0.37 116.42 114.97 2w4t h ASP 6 Ca -0.09 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.20 2w4t h ASP 6 Cb 0.67 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 2w4t h ASP 6 CO 0.15 0.00 -0.05 -0.33 -1.03 0.00 0.00 179.24 177.97 2w4t h GLU 7 N 0.00 -0.14 -0.59 4.15 4.39 -1.91 -2.93 114.58 117.55 2w4t h GLU 7 Ca 0.24 0.01 0.17 0.00 0.34 0.00 0.00 59.36 60.12 2w4t h GLU 7 Cb 1.62 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.28 2w4t h GLU 7 CO -0.00 -0.10 0.44 -0.84 -1.16 0.00 0.00 179.01 177.35 2w4t h ILE 8 N -0.78 0.66 -0.51 3.13 -2.65 0.12 0.67 117.51 118.14 2w4t h ILE 8 Ca -0.02 0.00 -0.08 0.00 1.03 0.00 0.00 64.86 65.79 2w4t h ILE 8 Cb 0.11 0.69 -0.02 0.00 -2.05 0.00 0.00 36.82 35.56 2w4t h ILE 8 CO 0.03 0.00 -0.02 -0.78 0.03 0.00 0.00 178.15 177.41 2w4t h ASP 9 N 0.00 0.85 -0.54 2.16 1.82 -0.44 -1.35 116.42 118.93 2w4t h ASP 9 Ca 0.28 -0.23 -0.08 0.00 -0.39 0.00 0.00 57.03 56.61 2w4t h ASP 9 Cb 1.15 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.91 2w4t h ASP 9 CO -0.00 0.93 0.04 0.44 -1.61 0.00 0.00 179.24 179.03 2w4t h ASP 10 N 0.81 0.93 -0.23 2.28 3.32 0.53 0.24 116.42 124.30 2w4t h ASP 10 Ca 0.15 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2w4t h ASP 10 Cb 0.51 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2w4t h ASP 10 CO 0.03 0.96 0.13 -0.07 -1.72 0.00 0.00 179.24 178.58 2w4t h LEU 11 N 0.90 0.28 0.07 1.55 3.38 -0.95 -2.39 115.31 118.15 2w4t h LEU 11 Ca 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2w4t h LEU 11 Cb 0.47 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2w4t h LEU 11 CO 0.02 0.25 -0.25 0.50 0.09 0.00 0.00 178.44 179.05 2w4t h LYS 12 N 0.28 -0.36 -0.32 1.13 3.64 -0.59 0.20 116.57 120.55 2w4t h LYS 12 Ca 0.08 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2w4t h LYS 12 Cb 0.03 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2w4t h LYS 12 CO -0.01 -0.24 -0.19 -0.25 -2.27 0.00 0.00 179.45 176.49 2w4t n ASP 13 N -3.88 -0.34 -0.27 4.20 8.00 0.79 -1.10 116.55 123.95 2w4t n ASP 13 Ca -0.04 1.05 -0.03 0.00 0.71 0.00 0.00 54.79 56.47 2w4t n ASP 13 Cb 0.20 -0.31 0.08 0.00 -0.02 0.00 0.00 41.12 41.07 2w4t n ASP 13 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2w4t h VAL 14 N 0.00 1.12 -1.01 2.53 -1.51 -1.25 -2.62 116.25 113.51 2w4t h VAL 14 Ca 0.05 -0.32 0.25 0.00 -1.23 0.00 0.00 66.70 65.45 2w4t h VAL 14 Cb 0.13 0.11 -0.12 0.00 -2.13 0.00 0.00 31.29 29.28 2w4t h VAL 14 CO -0.30 0.17 0.60 0.15 -1.23 0.00 0.00 177.57 176.95 2w4t h PHE 15 N 0.92 1.00 0.61 5.19 3.57 0.10 -2.11 116.94 126.23 2w4t h PHE 15 Ca 0.29 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 2w4t h PHE 15 Cb -0.00 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 38.46 2w4t h PHE 15 CO -0.03 0.06 -0.29 0.93 -2.23 0.00 0.00 178.31 176.74 2w4t h GLU 16 N 0.57 -0.79 -1.34 1.11 4.39 -1.05 0.13 114.58 117.60 2w4t h GLU 16 Ca 0.64 0.05 0.47 0.00 0.34 0.00 0.00 59.36 60.87 2w4t h GLU 16 Cb 1.24 0.18 -0.14 0.00 -0.10 0.00 0.00 28.75 29.93 2w4t h GLU 16 CO -0.47 -0.53 0.85 -0.11 -1.16 0.00 0.00 179.01 177.59 2w4t n LEU 17 N -4.47 0.23 -0.03 1.33 0.00 -0.83 -0.81 117.00 112.42 2w4t n LEU 17 Ca -0.10 1.43 -0.00 0.00 0.00 0.00 0.00 56.01 57.33 2w4t n LEU 17 Cb 0.32 -0.70 -0.00 0.00 0.00 0.00 0.00 43.42 43.04 2w4t n LEU 17 CO 0.25 -1.56 -0.01 0.15 0.00 0.00 0.00 177.39 176.22 2w4t h PHE 18 N 0.00 0.00 -0.21 1.96 3.57 -1.29 -3.12 116.94 117.85 2w4t h PHE 18 Ca 0.88 0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.44 2w4t h PHE 18 Cb 2.79 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 41.52 2w4t h PHE 18 CO -0.01 0.00 0.77 0.38 -2.23 0.00 0.00 178.31 177.22 2w4t h ASP 19 N -0.51 0.00 0.00 0.41 2.03 0.11 0.43 116.42 118.89 2w4t h ASP 19 Ca 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2w4t h ASP 19 Cb 0.02 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.52 2w4t h ASP 19 CO 0.00 0.00 -0.03 0.15 -1.03 0.00 0.00 179.24 178.33 2w4t h PHE 20 N 0.00 0.00 0.00 4.15 3.57 -1.08 -2.94 116.94 120.64 2w4t h PHE 20 Ca 0.10 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2w4t h PHE 20 Cb 1.64 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.38 2w4t h PHE 20 CO 0.00 0.87 -0.01 2.35 -2.23 0.00 0.00 178.31 179.29 2w4t h TRP 21 N -1.00 0.00 -0.87 0.41 2.91 -0.07 -0.20 115.95 117.13 2w4t h TRP 21 Ca -0.01 0.00 -0.59 0.00 1.13 0.00 0.00 58.89 59.42 2w4t h TRP 21 Cb 0.86 0.00 -0.33 0.00 -0.51 0.00 0.00 29.16 29.19 2w4t h TRP 21 CO 0.24 0.01 0.22 -0.40 -1.03 0.00 0.00 178.44 177.47 2w4t n ASP 22 N -3.26 6.22 -1.12 2.65 5.75 -1.05 -4.91 116.55 120.83 2w4t n ASP 22 Ca -0.03 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 50.98 2w4t n ASP 22 Cb 0.09 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 2w4t n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2w4t n GLY 23 N -0.87 -2.27 3.68 6.12 0.00 -0.25 -4.94 105.19 106.66 2w4t n GLY 23 Ca 0.54 -0.52 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 2w4t n GLY 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2w4t n ARG 24 N 0.28 2.40 -0.13 1.61 0.63 -0.29 -4.63 116.66 116.54 2w4t n ARG 24 Ca 0.00 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 2w4t n ARG 24 Cb 0.00 -2.74 0.00 0.00 0.45 0.00 0.00 32.46 30.17 2w4t n ARG 24 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2w4t n ASP 25 N 6.05 0.00 -1.15 6.15 8.00 -1.25 -5.00 116.55 129.35 2w4t n ASP 25 Ca 0.20 -0.50 -0.10 0.00 0.71 0.00 0.00 54.79 55.10 2w4t n ASP 25 Cb 0.33 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2w4t n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2w4t n GLY 26 N 0.00 -0.03 3.25 0.44 0.00 -1.26 -5.03 105.19 102.56 2w4t n GLY 26 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 2w4t n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w4t s ALA 27 N -2.51 -0.88 0.01 4.61 0.00 -1.26 -4.56 121.76 117.17 2w4t s ALA 27 Ca 0.01 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.83 2w4t s ALA 27 Cb -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2w4t s ALA 27 CO 0.01 -0.21 -0.24 0.14 0.00 0.00 0.00 175.76 175.47 2w4t s VAL 28 N -0.38 1.89 -0.06 0.00 -7.23 0.99 -4.56 120.40 111.05 2w4t s VAL 28 Ca -0.05 -1.15 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 2w4t s VAL 28 Cb -0.03 -1.60 -0.06 0.00 0.56 0.00 0.00 36.38 35.25 2w4t s VAL 28 CO 0.02 0.41 1.75 -0.62 -0.31 0.00 0.00 175.10 176.34 2w4t s ASP 29 N -0.89 6.53 0.46 4.85 -1.08 -1.26 0.17 116.67 125.45 2w4t s ASP 29 Ca 0.09 2.25 0.15 0.00 -0.52 0.00 0.00 52.55 54.53 2w4t s ASP 29 Cb -0.09 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.64 2w4t s ASP 29 CO 0.01 -1.04 1.37 0.00 0.52 0.00 0.00 175.17 176.03 2w4t h ALA 30 N 10.16 1.37 0.00 3.66 0.00 -1.08 0.78 119.26 134.15 2w4t h ALA 30 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2w4t h ALA 30 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2w4t h ALA 30 CO 0.96 -0.37 0.00 0.34 0.00 0.00 0.00 179.25 180.18 2w4t n PHE 31 N -2.31 0.00 0.33 0.00 7.35 -1.26 -2.77 117.46 118.80 2w4t n PHE 31 Ca -0.01 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 2w4t n PHE 31 Cb 0.47 -0.23 -0.06 0.00 0.35 0.00 0.00 39.48 40.02 2w4t n PHE 31 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2w4t n LYS 32 N -1.23 3.06 -0.26 -4.13 4.01 0.27 -4.56 118.16 115.32 2w4t n LYS 32 Ca 0.15 -0.02 0.32 0.00 -0.51 0.00 0.00 58.31 58.25 2w4t n LYS 32 Cb 0.20 -1.01 0.62 0.00 -0.51 0.00 0.00 35.03 34.33 2w4t n LYS 32 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2w4t h LEU 33 N 0.00 0.00 0.00 -0.35 3.38 -1.59 -0.08 115.31 116.68 2w4t h LEU 33 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2w4t h LEU 33 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2w4t h LEU 33 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2w4t n GLY 34 N -1.72 -1.39 0.64 0.83 0.00 -1.26 -3.21 105.19 99.09 2w4t n GLY 34 Ca 0.24 0.00 0.47 0.00 0.00 0.00 0.00 46.02 46.74 2w4t n GLY 34 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2w4t h ASP 35 N 0.00 0.04 0.57 1.61 1.82 -1.38 0.38 116.42 119.47 2w4t h ASP 35 Ca 0.00 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 2w4t h ASP 35 Cb 0.00 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.03 2w4t h ASP 35 CO 0.00 -0.03 -0.33 -0.37 -1.61 0.00 0.00 179.24 176.90 2w4t h VAL 36 N 0.01 0.00 0.00 2.25 -1.51 -1.28 -2.50 116.25 113.23 2w4t h VAL 36 Ca 0.85 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 66.32 2w4t h VAL 36 Cb 3.30 0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 32.46 2w4t h VAL 36 CO -0.08 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 176.24 2w4t h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -1.00 -1.99 114.38 114.47 2w4t h ARG 38 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 2w4t h ARG 38 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 2w4t h ARG 38 CO 0.00 0.00 -1.15 0.00 -1.07 0.00 0.00 179.97 177.75 2w4t n LEU 40 N -3.18 3.16 0.00 0.00 4.77 -0.75 -4.90 117.00 116.10 2w4t n LEU 40 Ca -0.05 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.31 2w4t n LEU 40 Cb 0.92 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2w4t n LEU 40 CO 0.45 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2w4t n GLY 41 N 0.11 1.89 2.07 -0.72 0.00 -1.24 -5.05 105.19 102.24 2w4t n GLY 41 Ca 0.12 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 2w4t n GLY 41 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2w4t n ILE 42 N 0.00 0.00 -3.40 -0.61 -6.64 -1.23 -4.84 119.36 102.64 2w4t n ILE 42 Ca 0.00 -0.33 -0.27 0.00 -1.77 0.00 0.00 62.75 60.38 2w4t n ILE 42 Cb 0.00 0.00 -0.10 0.00 -1.44 0.00 0.00 39.64 38.10 2w4t n ILE 42 CO 0.00 0.00 0.00 0.20 -1.77 0.00 0.00 176.55 174.98 2w4t s ASN 43 N -0.66 1.61 0.95 7.28 0.01 -1.26 -3.85 114.94 119.01 2w4t s ASN 43 Ca 0.32 -2.95 -0.14 0.00 -0.71 0.00 0.00 52.86 49.38 2w4t s ASN 43 Cb -0.23 -0.43 0.16 0.00 0.41 0.00 0.00 41.25 41.16 2w4t s ASN 43 CO 0.49 -0.19 1.17 -2.84 -1.51 0.00 0.00 177.10 174.22 2w4t s PRO 44 N 0.19 0.83 0.07 -0.60 0.01 -1.26 -5.00 135.00 129.25 2w4t s PRO 44 Ca 0.31 0.10 -0.02 0.00 0.01 0.00 0.00 61.00 61.40 2w4t s PRO 44 Cb 0.00 -1.82 -0.05 0.00 0.01 0.00 0.00 34.50 32.65 2w4t s PRO 44 CO -0.17 -2.37 0.26 0.50 0.01 0.00 0.00 177.00 175.23 2w4t s ARG 45 N -5.44 3.50 0.24 5.54 3.52 -1.26 -4.92 118.95 120.13 2w4t s ARG 45 Ca 0.66 -0.30 -0.06 0.00 -0.13 0.00 0.00 55.73 55.91 2w4t s ARG 45 Cb -0.12 -3.00 0.42 0.00 -1.56 0.00 0.00 34.95 30.70 2w4t s ARG 45 CO 0.53 0.58 1.69 -2.95 -0.81 0.00 0.00 175.30 174.34 2w4t h ASN 46 N 3.16 0.01 -0.84 -2.12 -0.00 -1.98 1.21 115.58 115.03 2w4t h ASN 46 Ca -0.46 0.14 0.16 0.00 -0.00 0.00 0.00 56.30 56.14 2w4t h ASN 46 Cb 1.17 0.19 -0.10 0.00 -0.00 0.00 0.00 38.32 39.57 2w4t h ASN 46 CO 0.73 -0.02 0.39 -0.33 -0.00 0.00 0.00 177.43 178.20 2w4t h GLU 47 N 0.27 0.51 0.71 4.14 4.39 -2.01 -2.23 114.58 120.37 2w4t h GLU 47 Ca 0.39 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.03 2w4t h GLU 47 Cb 0.65 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2w4t h GLU 47 CO -0.49 0.34 -0.46 0.22 -1.16 0.00 0.00 179.01 177.46 2w4t h ASP 48 N 0.53 -1.18 -0.18 1.42 1.82 0.10 -3.01 116.42 115.92 2w4t h ASP 48 Ca 0.47 0.07 0.05 0.00 -0.39 0.00 0.00 57.03 57.23 2w4t h ASP 48 Cb 0.75 0.35 -0.05 0.00 0.68 0.00 0.00 39.33 41.05 2w4t h ASP 48 CO -0.41 -0.70 -0.17 -0.37 -1.61 0.00 0.00 179.24 175.98 2w4t h VAL 49 N -1.11 0.54 -0.86 2.25 -1.51 -0.38 -1.99 116.25 113.19 2w4t h VAL 49 Ca -0.09 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.49 2w4t h VAL 49 Cb 0.90 0.54 -0.06 0.00 -2.13 0.00 0.00 31.29 30.54 2w4t h VAL 49 CO 0.08 0.00 0.56 0.15 -1.23 0.00 0.00 177.57 177.12 2w4t h PHE 50 N -0.19 0.84 -0.84 5.19 3.57 -1.52 -0.43 116.94 123.57 2w4t h PHE 50 Ca 0.11 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.81 2w4t h PHE 50 Cb 0.36 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 2w4t h PHE 50 CO -0.31 0.36 0.56 0.00 -2.23 0.00 0.00 178.31 176.69 2w4t h ALA 51 N 1.59 2.12 0.00 2.41 0.00 -1.21 -2.43 119.26 121.74 2w4t h ALA 51 Ca 0.41 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.23 2w4t h ALA 51 Cb 0.55 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2w4t h ALA 51 CO -0.18 -0.37 -1.46 1.33 0.00 0.00 0.00 179.25 178.58 2w4t n VAL 52 N -4.50 0.86 0.00 0.00 0.24 -0.21 -4.95 118.33 109.76 2w4t n VAL 52 Ca 0.17 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2w4t n VAL 52 Cb 0.60 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 2w4t n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2w4t n GLY 53 N 1.34 0.08 3.32 7.63 0.00 -0.91 -4.89 105.19 111.76 2w4t n GLY 53 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2w4t n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w4t n GLY 54 N 0.00 -2.41 3.19 -0.02 0.00 -1.00 -4.91 105.19 100.04 2w4t n GLY 54 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 2w4t n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2w4t s THR 55 N -2.30 0.91 0.25 2.61 -4.23 -1.12 -4.62 115.64 107.15 2w4t s THR 55 Ca 0.55 -1.79 0.10 0.00 -1.18 0.00 0.00 61.69 59.37 2w4t s THR 55 Cb -0.16 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 2w4t s THR 55 CO 0.68 -0.68 1.58 -0.74 -0.54 0.00 0.00 174.62 174.93 2w4t h HIS 56 N 3.26 0.00 -3.42 3.99 2.76 -1.94 -3.40 115.15 116.41 2w4t h HIS 56 Ca -0.36 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 57.46 2w4t h HIS 56 Cb 1.18 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 30.00 2w4t h HIS 56 CO 0.63 0.65 -0.68 0.21 -1.30 0.00 0.00 177.93 177.43 2w4t s LYS 57 N -3.53 1.20 0.80 5.26 2.20 -1.26 -5.06 119.74 119.35 2w4t s LYS 57 Ca -0.01 -1.57 -0.13 0.00 -0.36 0.00 0.00 55.97 53.89 2w4t s LYS 57 Cb 0.12 -0.56 0.20 0.00 -1.51 0.00 0.00 37.83 36.08 2w4t s LYS 57 CO 0.77 -0.04 0.72 -0.12 -0.36 0.00 0.00 175.35 176.31 2w4t n MET 58 N -0.31 -2.39 0.00 4.03 0.00 -1.26 -3.65 117.12 113.53 2w4t n MET 58 Ca -0.07 -1.15 0.00 0.00 -0.00 0.00 0.00 57.70 56.48 2w4t n MET 58 Cb 0.63 -1.07 0.00 0.00 0.00 0.00 0.00 33.22 32.78 2w4t n MET 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2w4t n GLY 59 N -2.25 0.00 0.24 -5.12 0.00 -1.26 -4.56 105.19 92.25 2w4t n GLY 59 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2w4t n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2w4t n GLU 60 N 0.00 -0.05 -3.65 1.61 -0.58 -1.24 -4.68 120.64 112.05 2w4t n GLU 60 Ca 0.00 1.05 -0.01 0.00 -0.42 0.00 0.00 57.16 57.77 2w4t n GLU 60 Cb 0.00 -1.69 -0.03 0.00 -0.57 0.00 0.00 31.44 29.14 2w4t n GLU 60 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2w4t s LYS 61 N -5.54 0.01 0.25 3.49 2.20 -1.26 -5.08 119.74 113.81 2w4t s LYS 61 Ca -0.09 0.00 0.10 0.00 -0.36 0.00 0.00 55.97 55.62 2w4t s LYS 61 Cb 0.21 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.49 2w4t s LYS 61 CO 0.55 -0.00 -0.10 0.45 -0.36 0.00 0.00 175.35 175.89 2w4t s SER 62 N -1.28 4.14 0.03 1.43 0.15 -1.26 -0.47 113.70 116.43 2w4t s SER 62 Ca 0.10 -0.75 0.01 0.00 0.70 0.00 0.00 55.95 56.02 2w4t s SER 62 Cb -0.01 -0.63 -0.02 0.00 -1.71 0.00 0.00 66.02 63.66 2w4t s SER 62 CO -0.07 0.04 -0.06 -0.76 1.20 0.00 0.00 173.24 173.60 2w4t s LEU 63 N -3.36 2.19 0.00 3.45 1.43 0.44 -4.78 118.68 118.04 2w4t s LEU 63 Ca 0.29 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 2w4t s LEU 63 Cb -0.07 -0.12 0.06 0.00 0.03 0.00 0.00 46.19 46.10 2w4t s LEU 63 CO 0.17 -0.16 0.38 -2.65 0.23 0.00 0.00 176.35 174.32 2w4t n PRO 64 N 1.87 -0.28 0.12 1.29 -0.01 -1.26 -0.01 135.00 136.72 2w4t n PRO 64 Ca -0.21 -0.64 0.12 0.00 -0.01 0.00 0.00 63.50 62.76 2w4t n PRO 64 Cb 0.56 -0.38 0.03 0.00 -0.01 0.00 0.00 33.50 33.69 2w4t n PRO 64 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 175.50 175.84 2w4t h PHE 65 N -1.12 0.00 -0.41 6.00 3.57 -1.99 -3.12 116.94 119.87 2w4t h PHE 65 Ca -0.12 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.33 2w4t h PHE 65 Cb 0.36 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2w4t h PHE 65 CO 0.00 0.00 0.06 0.93 -2.23 0.00 0.00 178.31 177.07 2w4t h GLU 66 N 0.00 0.68 0.00 1.11 4.39 -1.97 -2.87 114.58 115.92 2w4t h GLU 66 Ca 0.00 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 2w4t h GLU 66 Cb 1.00 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2w4t h GLU 66 CO 0.00 0.73 -0.38 0.93 -1.16 0.00 0.00 179.01 179.13 2w4t h GLU 67 N 0.53 0.00 -0.50 2.33 4.39 -1.96 -3.33 114.58 116.04 2w4t h GLU 67 Ca 0.12 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 2w4t h GLU 67 Cb 0.38 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2w4t h GLU 67 CO 0.01 0.19 -0.10 0.35 -1.16 0.00 0.00 179.01 178.30 2w4t h PHE 68 N 0.00 1.00 -0.67 4.33 3.57 -1.45 -3.30 116.94 120.43 2w4t h PHE 68 Ca -0.01 -0.19 0.14 0.00 3.53 0.00 0.00 57.97 61.44 2w4t h PHE 68 Cb 1.17 -0.25 -0.11 0.00 2.79 0.00 0.00 35.95 39.54 2w4t h PHE 68 CO 0.00 0.95 0.02 -0.07 -2.23 0.00 0.00 178.31 176.98 2w4t h LEU 69 N 0.82 -0.27 -0.83 0.59 3.38 -1.62 -1.71 115.31 115.66 2w4t h LEU 69 Ca 0.13 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2w4t h LEU 69 Cb 0.62 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2w4t h LEU 69 CO 0.04 -0.13 -0.14 -0.65 0.09 0.00 0.00 178.44 177.65 2w4t h PRO 70 N 0.13 0.00 -0.30 1.13 0.10 -1.81 -1.56 132.00 129.68 2w4t h PRO 70 Ca 0.36 0.00 -0.12 0.00 0.10 0.00 0.00 66.00 66.34 2w4t h PRO 70 Cb 0.60 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 31.69 2w4t h PRO 70 CO -0.57 0.14 -0.31 0.00 0.10 0.00 0.00 178.00 177.36 2w4t h ALA 71 N 1.86 0.90 0.00 -0.75 0.00 -1.41 0.38 119.26 120.23 2w4t h ALA 71 Ca -0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 2w4t h ALA 71 Cb 0.81 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2w4t h ALA 71 CO 0.02 0.62 -0.58 -0.92 0.00 0.00 0.00 179.25 178.39 2w4t h TYR 72 N 0.54 0.00 -0.30 0.00 3.20 -1.32 0.21 116.97 119.30 2w4t h TYR 72 Ca 0.06 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.76 2w4t h TYR 72 Cb 0.80 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 2w4t h TYR 72 CO 0.03 0.49 -0.50 0.93 -1.64 0.00 0.00 178.16 177.48 2w4t h GLU 73 N 0.00 0.86 0.28 1.82 4.39 -0.80 -3.17 114.58 117.97 2w4t h GLU 73 Ca -0.02 -0.53 -0.01 0.00 0.34 0.00 0.00 59.36 59.14 2w4t h GLU 73 Cb 1.39 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 2w4t h GLU 73 CO 0.06 1.17 -0.14 0.78 -1.16 0.00 0.00 179.01 179.72 2w4t h GLY 74 N 0.65 -0.40 -0.33 -3.84 0.00 -0.09 -3.12 103.07 95.94 2w4t h GLY 74 Ca 0.02 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2w4t h GLY 74 CO 0.11 -0.14 0.00 -0.10 0.00 0.00 0.00 176.54 176.41 2w4t n LEU 75 N -3.15 0.00 -0.13 3.11 0.00 0.05 -1.68 117.00 115.19 2w4t n LEU 75 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 56.01 55.69 2w4t n LEU 75 Cb 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.47 2w4t n LEU 75 CO 0.11 0.00 -1.40 0.80 0.00 0.00 0.00 177.39 176.90 2w4t n MET 76 N -0.15 0.57 0.00 1.96 1.56 -1.18 -4.36 117.12 115.51 2w4t n MET 76 Ca 0.00 0.24 0.06 0.00 -0.27 0.00 0.00 57.70 57.72 2w4t n MET 76 Cb 0.00 -1.45 0.33 0.00 2.15 0.00 0.00 33.22 34.25 2w4t n MET 76 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2w4t n ASP 77 N -4.09 0.00 -4.80 6.12 8.00 -0.68 -4.76 116.55 116.35 2w4t n ASP 77 Ca -0.52 -0.20 -0.39 0.00 0.71 0.00 0.00 54.79 54.39 2w4t n ASP 77 Cb 0.88 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.82 2w4t n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w4t n GLU 79 N 1.75 1.60 -4.66 0.00 0.00 -1.26 -5.03 120.64 113.04 2w4t n GLU 79 Ca -0.09 0.57 -0.32 0.00 0.00 0.00 0.00 57.16 57.32 2w4t n GLU 79 Cb 0.50 -2.16 -0.12 0.00 0.00 0.00 0.00 31.44 29.67 2w4t n GLU 79 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 2w4t s GLN 80 N -0.28 2.46 -0.14 3.44 -0.44 -1.26 -4.97 119.66 118.48 2w4t s GLN 80 Ca 0.72 -0.75 -0.29 0.00 -2.50 0.00 0.00 55.36 52.54 2w4t s GLN 80 Cb -0.76 -2.40 -0.01 0.00 -1.64 0.00 0.00 33.01 28.20 2w4t s GLN 80 CO 0.50 0.60 0.99 0.20 0.50 0.00 0.00 175.29 178.08 2w4t s GLY 81 N -1.13 2.20 1.03 2.59 0.00 -1.26 -5.05 107.32 105.70 2w4t s GLY 81 Ca 0.14 0.29 -0.17 0.00 0.00 0.00 0.00 44.72 44.99 2w4t s GLY 81 CO 0.04 1.93 1.27 -0.51 0.00 0.00 0.00 173.10 175.83 2w4t s THR 82 N 2.24 1.89 0.19 0.90 -4.23 -1.26 -4.90 115.64 110.47 2w4t s THR 82 Ca 0.46 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.93 2w4t s THR 82 Cb -0.17 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.75 2w4t s THR 82 CO 0.15 0.00 1.50 0.15 -0.54 0.00 0.00 174.62 175.88 2w4t h PHE 83 N -1.90 0.73 0.24 3.99 3.57 -1.99 -2.78 116.94 118.81 2w4t h PHE 83 Ca -0.44 -0.26 0.01 0.00 3.53 0.00 0.00 57.97 60.81 2w4t h PHE 83 Cb 1.25 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 2w4t h PHE 83 CO -1.43 0.99 -0.44 0.00 -2.23 0.00 0.00 178.31 175.21 2w4t h ALA 84 N 0.96 -0.86 -0.38 2.41 0.00 -1.99 0.26 119.26 119.66 2w4t h ALA 84 Ca 0.01 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2w4t h ALA 84 Cb 1.09 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 2w4t h ALA 84 CO 0.10 -1.04 0.02 -0.44 0.00 0.00 0.00 179.25 177.89 2w4t h ASP 85 N -0.75 -0.12 0.33 0.00 3.32 -1.92 0.30 116.42 117.56 2w4t h ASP 85 Ca -0.01 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 2w4t h ASP 85 Cb 0.73 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2w4t h ASP 85 CO -0.18 -0.03 -0.30 1.88 -1.72 0.00 0.00 179.24 178.89 2w4t h TYR 86 N 0.12 0.00 -0.11 4.55 -1.99 -1.22 -2.34 116.97 115.99 2w4t h TYR 86 Ca 0.19 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.78 2w4t h TYR 86 Cb 0.25 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.99 2w4t h TYR 86 CO -0.25 0.30 -0.48 0.52 -0.00 0.00 0.00 178.16 178.26 2w4t h MET 87 N 0.00 0.52 0.16 4.88 2.86 0.16 -2.95 114.93 120.56 2w4t h MET 87 Ca -0.00 -0.41 -0.00 0.00 -2.06 0.00 0.00 59.70 57.22 2w4t h MET 87 Cb 0.55 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2w4t h MET 87 CO 0.04 1.04 -0.21 0.93 1.06 0.00 0.00 176.91 179.77 2w4t h GLU 88 N 0.12 -0.37 -0.88 1.72 4.39 -0.16 -1.85 114.58 117.55 2w4t h GLU 88 Ca -0.03 0.02 0.20 0.00 0.34 0.00 0.00 59.36 59.89 2w4t h GLU 88 Cb 1.12 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 29.74 2w4t h GLU 88 CO 0.10 -0.24 0.41 0.00 -1.16 0.00 0.00 179.01 178.12 2w4t h ALA 89 N -1.34 1.39 0.00 3.43 0.00 -1.56 0.11 119.26 121.28 2w4t h ALA 89 Ca -0.02 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2w4t h ALA 89 Cb 0.34 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2w4t h ALA 89 CO -0.05 -0.26 -0.20 0.35 0.00 0.00 0.00 179.25 179.09 2w4t h PHE 90 N 0.48 0.00 -0.46 0.00 3.57 -1.37 -2.84 116.94 116.31 2w4t h PHE 90 Ca 0.53 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.94 2w4t h PHE 90 Cb 0.93 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2w4t h PHE 90 CO -0.12 0.20 -0.08 -0.22 -2.23 0.00 0.00 178.31 175.87 2w4t h LYS 91 N 0.00 0.82 0.00 1.11 3.64 0.09 -2.91 116.57 119.32 2w4t h LYS 91 Ca -0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2w4t h LYS 91 Cb 0.61 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2w4t h LYS 91 CO 0.03 0.87 0.00 0.25 -2.27 0.00 0.00 179.45 178.33 2w4t n THR 92 N -4.17 0.00 0.14 1.00 -2.24 -1.07 -0.40 114.28 107.54 2w4t n THR 92 Ca 0.02 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.81 2w4t n THR 92 Cb 0.35 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 2w4t n THR 92 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2w4t n PHE 93 N -0.93 0.00 -3.28 4.78 7.35 -1.10 -4.93 117.46 119.35 2w4t n PHE 93 Ca 0.01 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.25 2w4t n PHE 93 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 2w4t n PHE 93 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2w4t s ASP 94 N -0.60 6.18 0.12 -2.13 1.01 0.46 -4.91 116.67 116.80 2w4t s ASP 94 Ca 0.03 -1.43 -0.08 0.00 0.71 0.00 0.00 52.55 51.78 2w4t s ASP 94 Cb 0.03 -2.23 -0.12 0.00 1.01 0.00 0.00 42.92 41.60 2w4t s ASP 94 CO 0.07 -0.84 1.29 -0.09 0.21 0.00 0.00 175.17 175.81 2w4t h ARG 95 N 8.92 0.53 -0.57 8.23 2.43 -1.92 -3.23 114.38 128.77 2w4t h ARG 95 Ca -0.29 -0.54 -0.09 0.00 -0.81 0.00 0.00 59.98 58.25 2w4t h ARG 95 Cb 1.10 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2w4t h ARG 95 CO 0.99 1.17 0.01 1.05 -1.51 0.00 0.00 179.97 181.67 2w4t h GLU 96 N 0.32 0.99 0.00 0.20 9.09 -1.95 -3.47 114.58 119.75 2w4t h GLU 96 Ca -0.09 -0.30 0.00 0.00 0.05 0.00 0.00 59.36 59.03 2w4t h GLU 96 Cb 1.56 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.56 2w4t h GLU 96 CO 0.17 0.97 0.00 0.41 0.05 0.00 0.00 179.01 180.61 2w4t n GLY 97 N -0.50 1.05 2.14 1.06 0.00 -1.22 -4.96 105.19 102.76 2w4t n GLY 97 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2w4t n GLY 97 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2w4t n GLN 98 N -2.00 2.31 -2.43 1.61 0.00 -1.26 -4.89 117.38 110.72 2w4t n GLN 98 Ca 0.00 -2.58 -0.21 0.00 -0.00 0.00 0.00 57.00 54.22 2w4t n GLN 98 Cb 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 30.24 28.22 2w4t n GLN 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2w4t n GLY 99 N -0.42 -0.50 3.65 1.69 0.00 -1.26 -5.00 105.19 103.35 2w4t n GLY 99 Ca 0.49 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 2w4t n GLY 99 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2w4t n PHE 100 N -4.00 0.39 0.00 1.61 -1.74 -1.26 -2.82 117.46 109.65 2w4t n PHE 100 Ca -0.24 -2.39 0.00 0.00 -0.56 0.00 0.00 57.45 54.26 2w4t n PHE 100 Cb 0.68 -0.38 0.00 0.00 1.52 0.00 0.00 39.48 41.30 2w4t n PHE 100 CO 0.00 0.00 0.00 1.51 -0.56 0.00 0.00 176.76 177.71 2w4t n ILE 101 N -1.47 0.00 -3.75 1.97 3.06 -1.05 -4.67 119.36 113.45 2w4t n ILE 101 Ca -0.13 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 59.92 2w4t n ILE 101 Cb 0.63 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.78 2w4t n ILE 101 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2w4t s SER 102 N 0.00 5.73 0.04 9.51 1.04 -1.26 -0.12 113.70 128.64 2w4t s SER 102 Ca 0.00 -0.27 -0.28 0.00 0.48 0.00 0.00 55.95 55.88 2w4t s SER 102 Cb 0.00 -1.26 -0.16 0.00 0.10 0.00 0.00 66.02 64.71 2w4t s SER 102 CO 0.00 -0.30 1.42 1.23 0.98 0.00 0.00 173.24 176.57 2w4t h GLY 103 N 1.13 -1.07 -0.90 7.32 0.00 -1.78 -1.81 103.07 105.97 2w4t h GLY 103 Ca -0.47 0.40 0.25 0.00 0.00 0.00 0.00 47.33 47.51 2w4t h GLY 103 CO 0.57 -0.39 0.02 0.00 0.00 0.00 0.00 176.54 176.74 2w4t n ALA 104 N -2.52 0.46 -0.04 3.60 0.00 -1.26 -0.65 120.51 120.10 2w4t n ALA 104 Ca -0.13 0.97 -0.13 0.00 0.00 0.00 0.00 53.44 54.14 2w4t n ALA 104 Cb 0.40 -0.71 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 2w4t n ALA 104 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2w4t h GLU 105 N 0.00 0.19 -0.66 0.00 4.39 -1.94 -2.16 114.58 114.40 2w4t h GLU 105 Ca 0.55 -0.12 0.13 0.00 0.34 0.00 0.00 59.36 60.25 2w4t h GLU 105 Cb 1.13 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.70 2w4t h GLU 105 CO -0.85 0.70 0.19 -0.07 -1.16 0.00 0.00 179.01 177.81 2w4t h LEU 106 N -0.29 0.09 -0.37 1.33 3.38 0.01 0.29 115.31 119.75 2w4t h LEU 106 Ca 0.00 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2w4t h LEU 106 Cb 0.68 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2w4t h LEU 106 CO 0.03 0.03 0.02 -0.09 0.09 0.00 0.00 178.44 178.52 2w4t h ARG 107 N 0.32 0.12 -0.70 1.13 2.43 -0.86 -1.86 114.38 114.96 2w4t h ARG 107 Ca 0.36 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.59 2w4t h ARG 107 Cb 0.54 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 2w4t h ARG 107 CO -0.42 0.08 0.37 1.25 -1.51 0.00 0.00 179.97 179.75 2w4t h HIS 108 N 0.12 0.68 -0.51 2.20 2.76 0.16 0.20 115.15 120.77 2w4t h HIS 108 Ca 0.18 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2w4t h HIS 108 Cb 0.25 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 2w4t h HIS 108 CO -0.24 0.30 0.31 -0.39 -1.30 0.00 0.00 177.93 176.60 2w4t h VAL 109 N 0.67 1.16 0.21 5.26 -1.51 -0.24 0.50 116.25 122.29 2w4t h VAL 109 Ca 0.33 -0.35 -0.01 0.00 -1.23 0.00 0.00 66.70 65.43 2w4t h VAL 109 Cb 0.26 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 2w4t h VAL 109 CO -0.22 0.16 -0.10 -0.07 -1.23 0.00 0.00 177.57 176.11 2w4t h LEU 110 N 0.68 -0.23 -0.13 4.19 3.38 -1.04 -2.67 115.31 119.49 2w4t h LEU 110 Ca 0.18 -0.30 -0.23 0.00 0.09 0.00 0.00 57.88 57.62 2w4t h LEU 110 Cb -0.01 0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.81 2w4t h LEU 110 CO -0.03 0.25 -0.84 0.71 0.09 0.00 0.00 178.44 178.62 2w4t h THR 111 N -0.81 1.28 0.12 0.22 1.35 -0.99 -2.75 112.91 111.33 2w4t h THR 111 Ca -0.03 -2.03 -0.36 0.00 -0.55 0.00 0.00 66.41 63.44 2w4t h THR 111 Cb 0.51 2.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 2w4t h THR 111 CO 0.05 0.64 -1.98 0.00 -0.25 0.00 0.00 175.52 173.97 2w4t n ALA 112 N -2.62 0.90 -2.71 6.62 0.00 0.17 -4.01 120.51 118.87 2w4t n ALA 112 Ca -0.08 -0.59 -0.22 0.00 0.00 0.00 0.00 53.44 52.55 2w4t n ALA 112 Cb 0.78 -0.69 -0.01 0.00 0.00 0.00 0.00 19.45 19.52 2w4t n ALA 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2w4t s LEU 113 N -7.01 4.07 0.00 0.00 1.43 -1.01 -4.81 118.68 111.35 2w4t s LEU 113 Ca -0.22 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2w4t s LEU 113 Cb 0.07 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.19 2w4t s LEU 113 CO 0.77 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.69 2w4t n GLY 114 N -1.68 -0.73 3.52 -3.19 0.00 -1.26 -3.87 105.19 97.98 2w4t n GLY 114 Ca -0.05 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 2w4t n GLY 114 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2w4t n GLU 115 N -1.61 0.35 -0.76 1.61 0.00 -1.26 -4.83 120.64 114.14 2w4t n GLU 115 Ca 0.00 -0.78 -0.28 0.00 0.00 0.00 0.00 57.16 56.10 2w4t n GLU 115 Cb 0.03 -3.08 0.03 0.00 0.00 0.00 0.00 31.44 28.42 2w4t n GLU 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2w4t n ARG 116 N 7.84 0.00 -4.00 5.31 1.74 -1.25 -5.00 116.66 121.30 2w4t n ARG 116 Ca 0.48 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.32 2w4t n ARG 116 Cb 0.38 -0.76 -0.17 0.00 -1.02 0.00 0.00 32.46 30.90 2w4t n ARG 116 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2w4t s LEU 117 N 6.06 1.10 0.94 0.55 -0.00 -1.04 -5.00 118.68 121.28 2w4t s LEU 117 Ca 0.29 -0.21 -0.16 0.00 -0.00 0.00 0.00 54.13 54.06 2w4t s LEU 117 Cb -0.08 -0.65 -0.09 0.00 -0.00 0.00 0.00 46.19 45.37 2w4t s LEU 117 CO 0.59 -0.11 -0.34 -1.54 -0.00 0.00 0.00 176.35 174.95 2w4t n SER 118 N 4.69 -4.50 0.28 1.48 3.41 -1.26 -4.20 113.62 113.52 2w4t n SER 118 Ca -0.14 0.28 0.18 0.00 -0.26 0.00 0.00 58.87 58.92 2w4t n SER 118 Cb 0.50 -0.92 0.72 0.00 -0.26 0.00 0.00 64.21 64.26 2w4t n SER 118 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2w4t h ASP 119 N -1.05 0.00 0.03 4.04 2.03 -1.99 -3.13 116.42 116.34 2w4t h ASP 119 Ca -0.44 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.77 2w4t h ASP 119 Cb 1.31 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.82 2w4t h ASP 119 CO 0.29 0.00 -0.39 -0.33 -1.03 0.00 0.00 179.24 177.78 2w4t h GLU 120 N 0.00 0.21 -0.11 4.15 4.39 -2.00 -2.93 114.58 118.29 2w4t h GLU 120 Ca 0.00 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.47 2w4t h GLU 120 Cb 0.47 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2w4t h GLU 120 CO 0.00 1.03 0.08 -0.44 -1.16 0.00 0.00 179.01 178.52 2w4t h ASP 121 N -0.49 0.00 0.37 1.42 3.32 -1.89 -0.12 116.42 119.02 2w4t h ASP 121 Ca -0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 2w4t h ASP 121 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2w4t h ASP 121 CO 0.07 0.00 -0.18 1.62 -1.72 0.00 0.00 179.24 179.04 2w4t h VAL 122 N 0.00 0.00 -0.36 -1.35 3.04 -1.58 -1.52 116.25 114.48 2w4t h VAL 122 Ca 0.05 -0.48 0.10 0.00 -1.01 0.00 0.00 66.70 65.36 2w4t h VAL 122 Cb 0.21 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.48 2w4t h VAL 122 CO -0.00 0.00 0.37 -2.24 -1.01 0.00 0.00 177.57 174.68 2w4t h ASP 123 N -0.97 0.00 0.00 3.17 2.03 -1.31 -0.94 116.42 118.40 2w4t h ASP 123 Ca -0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 2w4t h ASP 123 Cb 0.38 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 2w4t h ASP 123 CO 0.08 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.67 2w4t n GLU 124 N -3.82 0.00 -0.12 4.15 -0.58 -0.08 -2.07 120.64 118.12 2w4t n GLU 124 Ca 0.06 0.00 0.27 0.00 -0.42 0.00 0.00 57.16 57.07 2w4t n GLU 124 Cb 0.53 -0.83 0.65 0.00 -0.57 0.00 0.00 31.44 31.22 2w4t n GLU 124 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2w4t h ILE 125 N 0.00 0.24 0.72 -3.67 -2.65 -1.01 0.30 117.51 111.44 2w4t h ILE 125 Ca 0.00 0.00 -0.04 0.00 1.03 0.00 0.00 64.86 65.85 2w4t h ILE 125 Cb 0.00 0.37 0.01 0.00 -2.05 0.00 0.00 36.82 35.14 2w4t h ILE 125 CO 0.00 0.00 -0.34 0.16 0.03 0.00 0.00 178.15 178.00 2w4t h ILE 126 N 0.00 0.00 -0.90 0.16 3.07 -1.21 -1.74 117.51 116.90 2w4t h ILE 126 Ca 0.39 -0.17 0.09 0.00 1.55 0.00 0.00 64.86 66.71 2w4t h ILE 126 Cb 2.01 0.00 -0.07 0.00 -0.27 0.00 0.00 36.82 38.49 2w4t h ILE 126 CO -0.00 0.00 0.55 0.50 -1.05 0.00 0.00 178.15 178.14 2w4t h LYS 127 N -1.14 0.91 0.00 0.16 3.64 0.06 0.15 116.57 120.35 2w4t h LYS 127 Ca -0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2w4t h LYS 127 Cb 0.74 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2w4t h LYS 127 CO 0.16 0.60 0.00 1.28 -2.27 0.00 0.00 179.45 179.22 2w4t n LEU 128 N -4.65 0.00 0.00 5.20 4.77 0.14 -1.93 117.00 120.53 2w4t n LEU 128 Ca 0.15 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 2w4t n LEU 128 Cb 0.26 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2w4t n LEU 128 CO 0.29 -0.26 0.37 0.35 -1.33 0.00 0.00 177.39 176.80 2w4t n THR 129 N -1.40 0.89 -3.90 -5.08 -2.24 -0.66 -4.80 114.28 97.10 2w4t n THR 129 Ca 0.00 0.28 -0.25 0.00 -2.27 0.00 0.00 64.05 61.80 2w4t n THR 129 Cb 0.00 -1.28 -0.00 0.00 -2.10 0.00 0.00 70.33 66.95 2w4t n THR 129 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2w4t n ASP 130 N -1.18 -1.12 -4.74 3.42 8.00 0.45 -4.91 116.55 116.48 2w4t n ASP 130 Ca 0.00 -0.94 -0.41 0.00 0.71 0.00 0.00 54.79 54.15 2w4t n ASP 130 Cb 0.05 -3.38 -0.03 0.00 -0.02 0.00 0.00 41.12 37.75 2w4t n ASP 130 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2w4t s LEU 131 N -6.93 4.45 0.03 0.64 1.43 -0.70 -5.02 118.68 112.57 2w4t s LEU 131 Ca 0.11 2.27 0.05 0.00 -1.03 0.00 0.00 54.13 55.53 2w4t s LEU 131 Cb -0.06 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 2w4t s LEU 131 CO 0.87 -0.40 -0.15 -1.58 0.23 0.00 0.00 176.35 175.32 2w4t s GLN 132 N -0.28 1.05 0.29 1.70 -0.44 -1.26 -4.88 119.66 115.84 2w4t s GLN 132 Ca 0.53 -0.71 0.03 0.00 -2.50 0.00 0.00 55.36 52.71 2w4t s GLN 132 Cb -0.33 -1.06 -0.03 0.00 -1.64 0.00 0.00 33.01 29.94 2w4t s GLN 132 CO 0.37 0.27 0.45 -1.83 0.50 0.00 0.00 175.29 175.05 2w4t s GLU 133 N -0.92 3.46 0.00 1.67 1.03 -1.26 -4.72 118.70 117.96 2w4t s GLU 133 Ca 0.03 -0.54 0.00 0.00 0.03 0.00 0.00 54.97 54.49 2w4t s GLU 133 Cb -0.07 -2.78 0.00 0.00 -0.80 0.00 0.00 34.13 30.47 2w4t s GLU 133 CO 0.01 0.30 0.00 -0.40 -1.33 0.00 0.00 175.26 173.84 2w4t n ASP 134 N -1.55 0.00 -0.06 0.83 5.75 -0.90 -4.87 116.55 115.76 2w4t n ASP 134 Ca -0.07 -0.18 -0.02 0.00 -0.01 0.00 0.00 54.79 54.51 2w4t n ASP 134 Cb 0.56 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.89 2w4t n ASP 134 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2w4t h LEU 135 N 0.00 0.63 -0.04 -2.12 3.38 -2.00 -2.13 115.31 113.04 2w4t h LEU 135 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2w4t h LEU 135 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2w4t h LEU 135 CO 0.00 0.68 -0.04 -0.62 0.09 0.00 0.00 178.44 178.55 2w4t n GLU 136 N -4.26 0.36 -2.25 1.13 -0.58 -1.26 -4.92 120.64 108.86 2w4t n GLU 136 Ca 0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 57.16 56.72 2w4t n GLU 136 Cb 0.26 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 2w4t n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2w4t n GLY 137 N 1.34 0.60 3.62 0.62 0.00 -0.80 -5.01 105.19 105.56 2w4t n GLY 137 Ca 0.12 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 2w4t n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w4t s ASN 138 N -2.99 4.37 0.01 1.61 4.22 -1.26 -2.18 114.94 118.72 2w4t s ASN 138 Ca 0.01 -0.74 0.00 0.00 -2.14 0.00 0.00 52.86 49.99 2w4t s ASN 138 Cb -0.00 -0.73 -0.01 0.00 1.28 0.00 0.00 41.25 41.79 2w4t s ASN 138 CO 0.01 -0.02 -0.02 0.68 -2.04 0.00 0.00 177.10 175.71 2w4t s VAL 139 N -2.37 0.13 -0.62 3.54 -7.23 0.83 -2.11 120.40 112.57 2w4t s VAL 139 Ca 0.32 -0.44 -0.28 0.00 -1.81 0.00 0.00 61.98 59.77 2w4t s VAL 139 Cb -0.06 -0.19 0.02 0.00 0.56 0.00 0.00 36.38 36.71 2w4t s VAL 139 CO 0.19 -0.20 1.38 -0.54 -0.31 0.00 0.00 175.10 175.62 2w4t s LYS 140 N -0.67 3.25 0.30 4.82 -0.14 -1.26 -2.52 119.74 123.52 2w4t s LYS 140 Ca -0.06 0.24 0.22 0.00 -1.36 0.00 0.00 55.97 55.01 2w4t s LYS 140 Cb -0.05 -4.14 1.09 0.00 -1.68 0.00 0.00 37.83 33.05 2w4t s LYS 140 CO -0.00 -2.02 1.67 0.98 -0.76 0.00 0.00 175.35 175.21 2w4t n TYR 141 N 9.60 0.75 -0.08 3.18 9.36 -1.13 -2.10 117.16 136.75 2w4t n TYR 141 Ca 0.10 0.36 -0.13 0.00 3.32 0.00 0.00 57.90 61.55 2w4t n TYR 141 Cb 0.49 -1.07 -0.05 0.00 -0.63 0.00 0.00 39.34 38.08 2w4t n TYR 141 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2w4t h GLU 142 N 0.00 0.47 0.74 2.98 4.39 -1.88 -2.56 114.58 118.72 2w4t h GLU 142 Ca 0.00 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 2w4t h GLU 142 Cb 0.12 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2w4t h GLU 142 CO 0.00 0.77 -0.46 0.22 -1.16 0.00 0.00 179.01 178.39 2w4t h ASP 143 N 0.17 -1.15 -0.54 1.42 1.82 -1.80 -2.72 116.42 113.63 2w4t h ASP 143 Ca 0.04 0.06 0.06 0.00 -0.39 0.00 0.00 57.03 56.81 2w4t h ASP 143 Cb 0.65 0.33 -0.09 0.00 0.68 0.00 0.00 39.33 40.90 2w4t h ASP 143 CO 0.04 -0.71 -0.53 0.15 -1.61 0.00 0.00 179.24 176.58 2w4t h PHE 144 N -1.13 -1.64 -1.03 0.28 3.57 -1.59 0.78 116.94 116.17 2w4t h PHE 144 Ca -0.10 0.09 0.26 0.00 3.53 0.00 0.00 57.97 61.76 2w4t h PHE 144 Cb 0.91 0.79 -0.11 0.00 2.79 0.00 0.00 35.95 40.32 2w4t h PHE 144 CO -0.10 -0.42 0.63 -0.39 -2.23 0.00 0.00 178.31 175.80 2w4t h VAL 145 N -0.26 0.51 -0.60 1.41 -1.51 -1.43 -0.19 116.25 114.17 2w4t h VAL 145 Ca 0.09 -0.16 -0.08 0.00 -1.23 0.00 0.00 66.70 65.32 2w4t h VAL 145 Cb 0.50 -0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 29.63 2w4t h VAL 145 CO -0.65 0.09 0.07 0.50 -1.23 0.00 0.00 177.57 176.35 2w4t h LYS 146 N 0.48 1.00 0.57 5.19 3.64 -0.53 -1.76 116.57 125.15 2w4t h LYS 146 Ca 0.63 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 2w4t h LYS 146 Cb 1.41 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 33.12 2w4t h LYS 146 CO -0.40 0.94 -0.27 0.87 -2.27 0.00 0.00 179.45 178.31 2w4t h LYS 147 N 0.93 -0.73 -0.99 1.90 1.57 -0.41 0.17 116.57 119.01 2w4t h LYS 147 Ca 0.18 0.05 0.32 0.00 -1.87 0.00 0.00 60.65 59.33 2w4t h LYS 147 Cb 0.45 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 32.77 2w4t h LYS 147 CO 0.02 -0.49 0.53 -0.39 -0.57 0.00 0.00 179.45 178.54 2w4t h VAL 148 N -1.17 0.27 -0.23 0.50 -1.51 -1.43 1.49 116.25 114.17 2w4t h VAL 148 Ca -0.08 -0.10 -0.16 0.00 -1.23 0.00 0.00 66.70 65.13 2w4t h VAL 148 Cb 0.58 -0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.70 2w4t h VAL 148 CO 0.13 0.05 -0.52 0.24 -1.23 0.00 0.00 177.57 176.24 2w4t h MET 149 N 0.29 0.66 0.12 5.19 2.86 -1.23 -3.31 114.93 119.50 2w4t h MET 149 Ca 0.72 -0.40 0.01 0.00 -2.06 0.00 0.00 59.70 57.97 2w4t h MET 149 Cb 1.65 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 33.32 2w4t h MET 149 CO -0.63 1.02 -0.43 0.00 1.06 0.00 0.00 176.91 177.93 2w4t h ALA 150 N 0.91 -0.93 0.00 6.32 0.00 0.52 -3.50 119.26 122.58 2w4t h ALA 150 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2w4t h ALA 150 Cb 1.08 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2w4t h ALA 150 CO 0.10 -1.03 0.00 0.41 0.00 0.00 0.00 179.25 178.73 2w4t n GLY 151 N -1.40 2.54 0.15 0.00 0.00 -0.86 -4.80 105.19 100.83 2w4t n GLY 151 Ca -0.07 -1.96 0.02 0.00 0.00 0.00 0.00 46.02 44.01 2w4t n GLY 151 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2w4t h PRO 152 N 0.00 0.00 -4.09 1.61 0.10 -1.91 -3.39 132.00 124.32 2w4t h PRO 152 Ca 0.00 0.00 -0.61 0.00 0.10 0.00 0.00 66.00 65.49 2w4t h PRO 152 Cb 0.00 0.00 -0.39 0.00 0.10 0.00 0.00 31.00 30.71 2w4t h PRO 152 CO 0.00 0.52 -0.76 -0.47 0.10 0.00 0.00 178.00 177.40 2w4t s TYR 153 N -3.38 2.38 -2.93 0.65 5.04 -1.26 -5.13 117.35 112.73 2w4t s TYR 153 Ca 0.01 -1.98 0.25 0.00 -2.44 0.00 0.00 57.07 52.90 2w4t s TYR 153 Cb 0.11 -1.91 0.31 0.00 0.35 0.00 0.00 41.96 40.81 2w4t s TYR 153 CO 0.73 -0.84 1.33 -2.30 -1.34 0.00 0.00 175.55 173.12