#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpu s LEU 3 N 0.00 4.44 -0.20 -4.42 1.43 -1.26 -1.32 118.68 117.35 1wpu s LEU 3 Ca 0.00 2.33 -0.26 0.00 -1.03 0.00 0.00 54.13 55.17 1wpu s LEU 3 Cb 0.00 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 1wpu s LEU 3 CO 0.00 -0.44 0.86 -2.28 0.23 0.00 0.00 176.35 174.72 1wpu s HIS 4 N -0.05 3.37 0.38 0.29 5.65 0.35 -4.77 115.29 120.52 1wpu s HIS 4 Ca 0.54 1.25 0.19 0.00 0.25 0.00 0.00 55.06 57.29 1wpu s HIS 4 Cb -0.35 -3.06 1.13 0.00 -1.18 0.00 0.00 32.58 29.12 1wpu s HIS 4 CO 0.38 -0.33 1.71 1.57 -0.65 0.00 0.00 174.74 177.43 1wpu h LYS 5 N 7.46 0.34 -0.07 2.88 -0.00 -1.94 0.16 116.57 125.40 1wpu h LYS 5 Ca -0.26 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 1wpu h LYS 5 Cb 1.11 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 33.26 1wpu h LYS 5 CO 0.87 0.22 0.00 0.39 -0.00 0.00 0.00 179.45 180.93 1wpu n GLU 6 N -4.76 1.61 -1.78 0.07 1.02 -1.26 -4.13 120.64 111.42 1wpu n GLU 6 Ca 0.29 -0.90 -0.02 0.00 -0.02 0.00 0.00 57.16 56.51 1wpu n GLU 6 Cb 0.99 -1.44 0.07 0.00 -0.02 0.00 0.00 31.44 31.04 1wpu n GLU 6 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wpu n ARG 7 N 0.10 1.52 -2.28 3.49 1.74 0.56 -5.01 116.66 116.78 1wpu n ARG 7 Ca 0.18 -3.12 -0.35 0.00 -0.77 0.00 0.00 57.85 53.79 1wpu n ARG 7 Cb 0.31 -1.23 -0.04 0.00 -1.02 0.00 0.00 32.46 30.48 1wpu n ARG 7 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wpu s ARG 8 N -2.45 2.99 0.30 5.56 0.52 -1.18 -4.19 118.95 120.49 1wpu s ARG 8 Ca 0.36 -0.44 0.05 0.00 -0.52 0.00 0.00 55.73 55.18 1wpu s ARG 8 Cb 0.37 -4.96 0.73 0.00 0.52 0.00 0.00 34.95 31.60 1wpu s ARG 8 CO -0.07 -2.75 1.74 0.97 0.02 0.00 0.00 175.30 175.22 1wpu h ILE 9 N 6.91 0.62 0.41 1.52 2.10 -1.92 -0.27 117.51 126.88 1wpu h ILE 9 Ca 0.04 -0.21 -0.02 0.00 1.08 0.00 0.00 64.86 65.75 1wpu h ILE 9 Cb 1.03 -0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 1wpu h ILE 9 CO 1.29 0.11 -0.20 1.23 -1.08 0.00 0.00 178.15 179.51 1wpu h GLY 10 N 0.61 -0.58 0.77 8.18 0.00 -1.98 -1.34 103.07 108.73 1wpu h GLY 10 Ca 0.57 0.21 0.05 0.00 0.00 0.00 0.00 47.33 48.16 1wpu h GLY 10 CO -0.43 -0.21 0.55 -0.09 0.00 0.00 0.00 176.54 176.35 1wpu h ARG 11 N -0.82 0.99 -0.64 4.80 2.43 -1.89 -1.73 114.38 117.50 1wpu h ARG 11 Ca -0.06 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 1wpu h ARG 11 Cb 0.55 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1wpu h ARG 11 CO 0.09 0.65 0.10 -0.07 -1.51 0.00 0.00 179.97 179.23 1wpu h LEU 12 N 1.02 1.03 -0.70 3.80 3.38 -1.04 -1.30 115.31 121.49 1wpu h LEU 12 Ca 0.37 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1wpu h LEU 12 Cb 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1wpu h LEU 12 CO -0.16 1.03 -0.07 0.77 0.09 0.00 0.00 178.44 180.11 1wpu h SER 13 N 0.98 0.92 -0.36 -0.43 4.64 -0.74 -2.04 113.55 116.53 1wpu h SER 13 Ca 0.19 -0.27 -0.14 0.00 -0.47 0.00 0.00 61.79 61.10 1wpu h SER 13 Cb 0.45 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1wpu h SER 13 CO 0.01 1.02 -0.31 0.58 -0.87 0.00 0.00 176.83 177.26 1wpu h VAL 14 N 0.85 1.28 -0.59 0.95 2.07 -1.18 -1.99 116.25 117.64 1wpu h VAL 14 Ca 0.14 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 1wpu h VAL 14 Cb 0.59 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1wpu h VAL 14 CO 0.04 0.49 0.17 -0.07 0.02 0.00 0.00 177.57 178.22 1wpu h LEU 15 N 0.64 0.83 -0.51 2.57 3.38 -1.14 -0.87 115.31 120.21 1wpu h LEU 15 Ca 0.06 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1wpu h LEU 15 Cb 0.89 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1wpu h LEU 15 CO 0.08 0.79 -0.00 0.25 0.09 0.00 0.00 178.44 179.65 1wpu h LEU 16 N 0.87 0.89 -0.90 1.67 5.85 -1.26 -3.04 115.31 119.38 1wpu h LEU 16 Ca 0.19 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 1wpu h LEU 16 Cb 0.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1wpu h LEU 16 CO -0.01 0.98 -0.17 0.25 -0.34 0.00 0.00 178.44 179.16 1wpu h LEU 17 N 0.77 0.62 -0.78 2.25 5.85 -0.85 -3.13 115.31 120.04 1wpu h LEU 17 Ca 0.15 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1wpu h LEU 17 Cb 0.53 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1wpu h LEU 17 CO 0.03 0.80 0.00 0.18 -0.34 0.00 0.00 178.44 179.11 1wpu n LEU 18 N -4.15 1.17 -4.79 2.25 4.77 -0.38 -4.86 117.00 111.01 1wpu n LEU 18 Ca 0.01 -0.48 -0.36 0.00 -0.03 0.00 0.00 56.01 55.15 1wpu n LEU 18 Cb 0.37 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1wpu n LEU 18 CO 0.42 0.24 -0.19 0.20 -1.33 0.00 0.00 177.39 176.73 1wpu s ASN 19 N -1.62 6.16 -0.08 -1.43 0.01 -1.16 -4.98 114.94 111.84 1wpu s ASN 19 Ca 0.32 0.32 0.12 0.00 -0.71 0.00 0.00 52.86 52.91 1wpu s ASN 19 Cb 0.17 -2.02 0.31 0.00 0.41 0.00 0.00 41.25 40.12 1wpu s ASN 19 CO 0.26 0.30 1.24 -0.62 -1.51 0.00 0.00 177.10 176.77 1wpu n GLU 20 N 2.70 2.60 -1.67 -0.60 1.02 -1.26 -5.02 120.64 118.42 1wpu n GLU 20 Ca -0.18 -2.29 -0.43 0.00 -0.02 0.00 0.00 57.16 54.24 1wpu n GLU 20 Cb 0.54 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 1wpu n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wpu n ALA 21 N -0.39 1.62 0.00 0.62 0.00 -1.26 -4.89 120.51 116.21 1wpu n ALA 21 Ca 0.13 0.23 -0.12 0.00 0.00 0.00 0.00 53.44 53.69 1wpu n ALA 21 Cb 0.58 -2.66 -0.05 0.00 0.00 0.00 0.00 19.45 17.32 1wpu n ALA 21 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wpu h GLU 22 N 10.16 -0.45 -2.41 0.00 5.08 -2.07 -3.23 114.58 121.66 1wpu h GLU 22 Ca -0.49 0.03 -0.63 0.00 -1.00 0.00 0.00 59.36 57.27 1wpu h GLU 22 Cb 1.24 0.10 -0.40 0.00 0.50 0.00 0.00 28.75 30.19 1wpu h GLU 22 CO 0.94 -0.30 -0.44 -0.85 -1.00 0.00 0.00 179.01 177.36 1wpu n GLU 23 N -5.43 2.64 -0.00 2.33 0.28 -1.26 -4.85 120.64 114.34 1wpu n GLU 23 Ca -0.04 -4.64 -0.21 0.00 -0.16 0.00 0.00 57.16 52.11 1wpu n GLU 23 Cb 0.35 -2.29 -0.14 0.00 1.43 0.00 0.00 31.44 30.79 1wpu n GLU 23 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1wpu h SER 24 N 4.51 0.35 -2.14 -1.84 0.87 -1.96 -3.48 113.55 109.85 1wpu h SER 24 Ca 0.19 -0.84 -0.25 0.00 -1.23 0.00 0.00 61.79 59.66 1wpu h SER 24 Cb 0.67 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1wpu h SER 24 CO 0.87 1.60 -0.34 0.41 -0.53 0.00 0.00 176.83 178.83 1wpu n THR 25 N -3.97 -0.79 0.10 2.23 -1.04 -1.26 -4.90 114.28 104.66 1wpu n THR 25 Ca -0.25 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.72 1wpu n THR 25 Cb 0.88 -2.17 0.03 0.00 -1.82 0.00 0.00 70.33 67.25 1wpu n THR 25 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1wpu h GLN 26 N -0.24 0.00 -0.03 -2.82 4.20 -1.98 -2.66 115.11 111.59 1wpu h GLN 26 Ca -0.31 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1wpu h GLN 26 Cb 1.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 1wpu h GLN 26 CO 0.36 0.79 0.01 0.28 -0.67 0.00 0.00 178.83 179.60 1wpu h VAL 27 N 0.00 1.14 -0.63 -0.54 2.07 -1.99 0.10 116.25 116.41 1wpu h VAL 27 Ca -0.01 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1wpu h VAL 27 Cb 1.42 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 1wpu h VAL 27 CO 0.10 0.12 0.25 -0.33 0.02 0.00 0.00 177.57 177.73 1wpu h GLU 28 N -0.13 0.92 -0.27 1.57 5.08 -1.96 0.06 114.58 119.85 1wpu h GLU 28 Ca 0.01 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1wpu h GLU 28 Cb 0.18 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1wpu h GLU 28 CO -0.00 0.75 0.06 1.49 -1.00 0.00 0.00 179.01 180.32 1wpu h GLU 29 N 0.91 0.44 -0.62 2.33 4.81 -1.21 0.13 114.58 121.37 1wpu h GLU 29 Ca 0.22 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1wpu h GLU 29 Cb 0.17 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1wpu h GLU 29 CO -0.02 0.53 0.20 -0.07 -0.73 0.00 0.00 179.01 178.92 1wpu h LEU 30 N 0.27 0.91 -1.28 1.64 3.38 -0.45 -1.76 115.31 118.02 1wpu h LEU 30 Ca 0.09 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1wpu h LEU 30 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1wpu h LEU 30 CO 0.00 0.87 -0.19 -0.33 0.09 0.00 0.00 178.44 178.88 1wpu h GLU 31 N 0.89 0.26 -0.29 1.13 5.08 -0.80 -1.34 114.58 119.51 1wpu h GLU 31 Ca 0.20 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1wpu h GLU 31 Cb 0.28 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1wpu h GLU 31 CO -0.01 0.45 -0.24 0.00 -1.00 0.00 0.00 179.01 178.21 1wpu h ARG 32 N 0.24 0.56 0.00 2.33 2.47 -0.21 -1.89 114.38 117.89 1wpu h ARG 32 Ca 0.04 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1wpu h ARG 32 Cb 0.48 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1wpu h ARG 32 CO 0.03 0.76 0.00 -0.25 0.56 0.00 0.00 179.97 181.07 1wpu n ASP 33 N -4.12 0.00 0.00 7.04 9.92 -0.71 -4.87 116.55 123.81 1wpu n ASP 33 Ca -0.00 -0.39 0.00 0.00 -0.53 0.00 0.00 54.79 53.86 1wpu n ASP 33 Cb 0.41 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 1wpu n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wpu n GLY 34 N 0.65 0.68 3.85 0.44 0.00 -0.71 -5.09 105.19 105.01 1wpu n GLY 34 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1wpu n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wpu s TRP 35 N -2.00 3.38 -0.20 1.61 0.52 -0.58 -4.89 118.94 116.78 1wpu s TRP 35 Ca 0.00 1.31 -0.08 0.00 0.02 0.00 0.00 56.10 57.35 1wpu s TRP 35 Cb 0.00 -2.62 -0.04 0.00 -1.15 0.00 0.00 33.47 29.66 1wpu s TRP 35 CO 0.00 -0.04 0.08 0.15 0.02 0.00 0.00 176.95 177.16 1wpu s LYS 36 N -3.32 3.95 0.05 4.98 -0.14 -0.64 -4.03 119.74 120.60 1wpu s LYS 36 Ca 0.56 -0.35 0.06 0.00 -1.36 0.00 0.00 55.97 54.88 1wpu s LYS 36 Cb -0.10 -3.29 -0.02 0.00 -1.68 0.00 0.00 37.83 32.73 1wpu s LYS 36 CO 0.21 0.17 -0.16 0.08 -0.76 0.00 0.00 175.35 174.88 1wpu s VAL 37 N 0.68 1.26 -0.04 3.17 1.01 -1.26 -1.06 120.40 124.16 1wpu s VAL 37 Ca 0.04 -1.14 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 1wpu s VAL 37 Cb -0.13 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1wpu s VAL 37 CO 0.02 -0.02 0.10 0.00 0.00 0.00 0.00 175.10 175.20 1wpu s LEU 39 N 0.66 2.06 0.00 0.00 1.43 -1.26 -0.86 118.68 120.71 1wpu s LEU 39 Ca -0.05 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.64 1wpu s LEU 39 Cb -0.07 -0.71 0.04 0.00 0.03 0.00 0.00 46.19 45.48 1wpu s LEU 39 CO -0.03 0.14 0.54 0.61 0.23 0.00 0.00 176.35 177.85 1wpu n GLY 40 N 2.53 1.27 3.15 -3.19 0.00 -0.44 -5.01 105.19 103.51 1wpu n GLY 40 Ca -0.15 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 1wpu n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wpu s LYS 41 N -2.06 0.52 -0.25 1.61 1.02 -1.26 -0.78 119.74 118.54 1wpu s LYS 41 Ca 0.11 -0.25 -0.26 0.00 0.02 0.00 0.00 55.97 55.59 1wpu s LYS 41 Cb -0.03 0.23 0.09 0.00 -0.52 0.00 0.00 37.83 37.60 1wpu s LYS 41 CO 0.07 -0.13 0.84 0.54 -0.92 0.00 0.00 175.35 175.76 1wpu s VAL 42 N -1.20 0.00 0.00 3.17 0.11 -0.16 -4.99 120.40 117.34 1wpu s VAL 42 Ca -0.13 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 1wpu s VAL 42 Cb -0.06 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1wpu s VAL 42 CO 0.02 0.00 -0.09 -0.83 -3.33 0.00 0.00 175.10 170.87 1wpu s GLY 43 N 0.15 0.46 -0.05 6.54 0.00 -1.26 -0.38 107.32 112.77 1wpu s GLY 43 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 44.72 43.97 1wpu s GLY 43 CO -0.01 -0.39 1.26 -0.45 0.00 0.00 0.00 173.10 173.50 1wpu s SER 44 N -0.40 -0.08 0.00 1.64 0.15 -0.15 -4.97 113.70 109.88 1wpu s SER 44 Ca 0.02 -0.11 0.12 0.00 0.70 0.00 0.00 55.95 56.68 1wpu s SER 44 Cb -0.04 0.17 0.20 0.00 -1.71 0.00 0.00 66.02 64.64 1wpu s SER 44 CO -0.00 -0.31 1.06 0.23 1.20 0.00 0.00 173.24 175.42 1wpu n MET 45 N -0.39 1.65 -4.08 5.44 2.81 -1.26 -1.63 117.12 119.66 1wpu n MET 45 Ca -0.06 -1.62 -0.33 0.00 -1.81 0.00 0.00 57.70 53.88 1wpu n MET 45 Cb 0.62 -1.26 -0.15 0.00 -0.71 0.00 0.00 33.22 31.71 1wpu n MET 45 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wpu s ASP 46 N -1.01 3.83 0.34 7.83 1.11 -1.26 0.18 116.67 127.70 1wpu s ASP 46 Ca 0.19 -0.99 0.06 0.00 0.18 0.00 0.00 52.55 51.99 1wpu s ASP 46 Cb 0.12 -1.53 0.72 0.00 1.07 0.00 0.00 42.92 43.29 1wpu s ASP 46 CO 0.16 -0.10 1.91 0.00 1.18 0.00 0.00 175.17 178.33 1wpu h ALA 47 N 7.88 1.71 0.00 5.23 0.00 -1.93 -1.55 119.26 130.60 1wpu h ALA 47 Ca -0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1wpu h ALA 47 Cb 1.09 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1wpu h ALA 47 CO 0.56 0.13 -0.03 1.12 0.00 0.00 0.00 179.25 181.03 1wpu h HIS 48 N 0.80 0.00 -0.01 0.00 2.07 -1.98 -0.64 115.15 115.39 1wpu h HIS 48 Ca 0.38 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.76 1wpu h HIS 48 Cb 0.41 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.38 1wpu h HIS 48 CO -0.00 0.03 -0.68 0.87 -3.07 0.00 0.00 177.93 175.08 1wpu h LYS 49 N 0.00 0.05 -0.10 5.12 1.57 -1.71 -1.03 116.57 120.47 1wpu h LYS 49 Ca -0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1wpu h LYS 49 Cb 0.05 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1wpu h LYS 49 CO 0.00 0.70 -0.10 0.28 -0.57 0.00 0.00 179.45 179.77 1wpu h VAL 50 N 0.03 1.36 -0.42 0.50 2.07 -1.14 -1.62 116.25 117.03 1wpu h VAL 50 Ca -0.01 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.28 1wpu h VAL 50 Cb 1.20 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.92 1wpu h VAL 50 CO 0.09 0.36 0.24 0.40 0.02 0.00 0.00 177.57 178.67 1wpu h ILE 51 N -0.18 1.02 -0.65 4.57 2.04 -1.27 -2.35 117.51 120.70 1wpu h ILE 51 Ca 0.01 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1wpu h ILE 51 Cb 0.62 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1wpu h ILE 51 CO 0.02 0.09 0.26 0.00 0.00 0.00 0.00 178.15 178.52 1wpu h ALA 52 N 1.20 0.84 -0.58 1.87 0.00 -1.18 -1.55 119.26 119.87 1wpu h ALA 52 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wpu h ALA 52 Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1wpu h ALA 52 CO -0.09 0.46 0.37 0.00 0.00 0.00 0.00 179.25 179.99 1wpu h ALA 53 N 1.11 0.73 -0.49 0.00 0.00 -1.04 0.02 119.26 119.59 1wpu h ALA 53 Ca 0.22 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1wpu h ALA 53 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1wpu h ALA 53 CO -0.02 0.18 0.07 0.82 0.00 0.00 0.00 179.25 180.31 1wpu h ILE 54 N 0.78 1.25 -0.07 0.00 2.04 -1.23 -1.52 117.51 118.76 1wpu h ILE 54 Ca 0.21 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 1wpu h ILE 54 Cb -0.07 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1wpu h ILE 54 CO -0.04 0.33 0.01 -0.08 0.00 0.00 0.00 178.15 178.37 1wpu h GLU 55 N 0.68 0.12 -0.61 2.37 4.81 -1.01 -1.54 114.58 119.40 1wpu h GLU 55 Ca 0.15 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1wpu h GLU 55 Cb 0.40 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1wpu h GLU 55 CO 0.01 0.36 0.38 1.15 -0.73 0.00 0.00 179.01 180.18 1wpu h THR 56 N -0.13 1.17 -0.62 0.32 2.02 -0.98 -1.02 112.91 113.67 1wpu h THR 56 Ca 0.02 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 1wpu h THR 56 Cb 0.30 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1wpu h THR 56 CO 0.00 0.18 0.06 0.00 0.37 0.00 0.00 175.52 176.13 1wpu h ALA 57 N 1.20 0.94 -0.45 6.16 0.00 -1.26 -0.95 119.26 124.89 1wpu h ALA 57 Ca 0.22 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1wpu h ALA 57 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1wpu h ALA 57 CO -0.04 0.65 -0.10 0.77 0.00 0.00 0.00 179.25 180.53 1wpu h SER 58 N 0.97 0.80 0.28 0.00 0.02 -0.85 -1.54 113.55 113.22 1wpu h SER 58 Ca 0.19 -0.24 -0.25 0.00 -0.84 0.00 0.00 61.79 60.65 1wpu h SER 58 Cb 0.47 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.81 1wpu h SER 58 CO 0.02 0.92 -1.04 0.11 -1.14 0.00 0.00 176.83 175.70 1wpu h LYS 59 N 0.73 0.47 -0.38 3.45 1.57 -1.04 0.59 116.57 121.98 1wpu h LYS 59 Ca 0.13 -0.55 -0.13 0.00 -1.87 0.00 0.00 60.65 58.22 1wpu h LYS 59 Cb 0.58 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1wpu h LYS 59 CO 0.04 1.20 -0.30 0.87 -0.57 0.00 0.00 179.45 180.69 1wpu h LYS 60 N 0.25 0.83 -0.00 3.15 1.79 -1.09 -2.87 116.57 118.62 1wpu h LYS 60 Ca -0.11 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1wpu h LYS 60 Cb 1.69 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.33 1wpu h LYS 60 CO 0.19 1.01 -0.03 -1.13 -1.08 0.00 0.00 179.45 178.41 1wpu n SER 61 N -4.08 0.19 -0.23 0.86 3.41 -0.59 -4.92 113.62 108.26 1wpu n SER 61 Ca -0.01 -0.61 -0.03 0.00 -0.26 0.00 0.00 58.87 57.97 1wpu n SER 61 Cb 0.48 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 1wpu n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wpu n GLY 62 N 1.18 0.61 0.16 5.00 0.00 -1.08 -4.91 105.19 106.15 1wpu n GLY 62 Ca 0.18 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 1wpu n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wpu h VAL 63 N 0.00 1.41 -3.80 1.61 2.07 -1.15 -3.45 116.25 112.95 1wpu h VAL 63 Ca -0.06 -2.19 -0.30 0.00 0.82 0.00 0.00 66.70 64.97 1wpu h VAL 63 Cb 0.20 2.15 -0.18 0.00 -1.52 0.00 0.00 31.29 31.94 1wpu h VAL 63 CO 0.09 0.65 -0.73 0.27 0.02 0.00 0.00 177.57 177.87 1wpu s ILE 64 N -3.58 0.82 0.34 4.57 -4.36 -1.15 -4.92 121.20 112.94 1wpu s ILE 64 Ca -0.04 -1.57 -0.29 0.00 -0.26 0.00 0.00 60.65 58.50 1wpu s ILE 64 Cb 0.11 -1.25 -0.11 0.00 1.25 0.00 0.00 42.46 42.46 1wpu s ILE 64 CO 0.82 -0.57 1.42 -1.10 0.24 0.00 0.00 174.94 175.75 1wpu s GLN 65 N -2.69 4.22 0.29 0.37 -0.21 -1.26 -4.47 119.66 115.91 1wpu s GLN 65 Ca 0.03 2.41 0.16 0.00 0.02 0.00 0.00 55.36 57.99 1wpu s GLN 65 Cb -0.03 -3.02 0.09 0.00 1.00 0.00 0.00 33.01 31.05 1wpu s GLN 65 CO -0.01 -0.40 1.44 0.77 -2.12 0.00 0.00 175.29 174.98 1wpu h SER 66 N 3.44 0.00 -2.42 5.90 0.02 -1.96 -3.44 113.55 115.09 1wpu h SER 66 Ca -0.49 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 59.94 1wpu h SER 66 Cb 1.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1wpu h SER 66 CO 0.67 0.44 -0.46 -1.83 -1.14 0.00 0.00 176.83 174.51 1wpu s GLU 67 N -2.99 3.42 0.00 3.45 4.04 -1.26 -5.01 118.70 120.34 1wpu s GLU 67 Ca 0.04 -0.67 0.00 0.00 0.04 0.00 0.00 54.97 54.38 1wpu s GLU 67 Cb 0.07 -2.92 0.00 0.00 0.02 0.00 0.00 34.13 31.30 1wpu s GLU 67 CO 0.74 0.48 0.00 0.41 -1.84 0.00 0.00 175.26 175.05 1wpu n GLY 68 N -0.87 -1.34 0.09 -3.83 0.00 -1.26 -4.88 105.19 93.10 1wpu n GLY 68 Ca -0.08 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 1wpu n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wpu n TYR 69 N -1.54 0.00 -0.34 1.61 9.36 -1.26 -4.64 117.16 120.34 1wpu n TYR 69 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 1wpu n TYR 69 Cb 0.00 -0.68 -0.08 0.00 -0.63 0.00 0.00 39.34 37.95 1wpu n TYR 69 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1wpu n ARG 70 N -3.01 -0.36 0.13 2.98 0.63 -1.26 -0.05 116.66 115.73 1wpu n ARG 70 Ca -0.31 1.24 -0.01 0.00 -0.92 0.00 0.00 57.85 57.85 1wpu n ARG 70 Cb 0.84 -1.83 0.23 0.00 0.45 0.00 0.00 32.46 32.15 1wpu n ARG 70 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wpu h GLU 71 N 0.00 0.11 -0.25 -0.14 5.08 -1.89 -1.79 114.58 115.69 1wpu h GLU 71 Ca 0.14 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 1wpu h GLU 71 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1wpu h GLU 71 CO -0.77 0.58 -0.40 0.77 -1.00 0.00 0.00 179.01 178.18 1wpu h SER 72 N 0.09 0.62 -0.38 1.42 0.02 -1.32 -1.64 113.55 112.35 1wpu h SER 72 Ca 0.00 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.65 1wpu h SER 72 Cb 0.90 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1wpu h SER 72 CO 0.07 0.95 0.14 -0.74 -1.14 0.00 0.00 176.83 176.11 1wpu h HIS 73 N 0.48 0.60 -0.52 3.45 -0.00 -0.06 0.10 115.15 119.20 1wpu h HIS 73 Ca 0.04 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1wpu h HIS 73 Cb 0.91 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 28.12 1wpu h HIS 73 CO 0.04 0.55 0.24 0.00 -0.00 0.00 0.00 177.93 178.76 1wpu h ALA 74 N 0.98 0.67 -0.62 5.26 0.00 -1.16 -2.53 119.26 121.87 1wpu h ALA 74 Ca 0.13 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1wpu h ALA 74 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1wpu h ALA 74 CO -0.01 0.24 -0.00 1.25 0.00 0.00 0.00 179.25 180.74 1wpu h LEU 75 N 0.69 1.07 -0.25 0.00 5.85 -1.12 -2.04 115.31 119.51 1wpu h LEU 75 Ca 0.18 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1wpu h LEU 75 Cb 0.14 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1wpu h LEU 75 CO -0.02 1.11 0.16 0.22 -0.34 0.00 0.00 178.44 179.58 1wpu h TYR 76 N 0.99 0.31 -0.15 1.25 5.03 -0.77 -0.04 116.97 123.59 1wpu h TYR 76 Ca 0.17 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.39 1wpu h TYR 76 Cb 0.57 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 1wpu h TYR 76 CO 0.04 0.20 -0.36 0.45 -1.32 0.00 0.00 178.16 177.17 1wpu h HIS 77 N 0.33 0.35 -0.50 -3.82 3.86 -1.39 -0.42 115.15 113.57 1wpu h HIS 77 Ca 0.09 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 1wpu h HIS 77 Cb -0.04 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1wpu h HIS 77 CO -0.06 0.63 -0.10 0.00 0.86 0.00 0.00 177.93 179.26 1wpu h ALA 78 N 1.36 0.88 -0.58 2.45 0.00 -1.07 -1.43 119.26 120.87 1wpu h ALA 78 Ca 0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1wpu h ALA 78 Cb 0.76 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1wpu h ALA 78 CO 0.06 0.64 0.01 1.15 0.00 0.00 0.00 179.25 181.11 1wpu h THR 79 N 0.83 1.26 -0.58 0.00 2.02 -0.52 -1.53 112.91 114.39 1wpu h THR 79 Ca 0.13 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1wpu h THR 79 Cb 0.63 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1wpu h THR 79 CO 0.04 0.41 0.38 0.24 0.37 0.00 0.00 175.52 176.96 1wpu h MET 80 N 0.91 0.77 -0.65 6.66 2.86 -0.80 -0.10 114.93 124.58 1wpu h MET 80 Ca 0.17 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1wpu h MET 80 Cb 0.54 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1wpu h MET 80 CO 0.03 0.51 0.15 0.93 1.06 0.00 0.00 176.91 179.59 1wpu h GLU 81 N 0.79 1.03 -0.50 1.72 5.08 -1.03 -2.23 114.58 119.43 1wpu h GLU 81 Ca 0.21 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1wpu h GLU 81 Cb -0.08 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1wpu h GLU 81 CO -0.05 0.92 -0.00 0.00 -1.00 0.00 0.00 179.01 178.88 1wpu h ALA 82 N 1.18 1.05 0.00 3.43 0.00 -0.79 -2.52 119.26 121.61 1wpu h ALA 82 Ca 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1wpu h ALA 82 Cb 0.36 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wpu h ALA 82 CO 0.00 0.59 -0.11 -0.07 0.00 0.00 0.00 179.25 179.66 1wpu h LEU 83 N 0.78 0.00 -0.81 0.00 3.38 -0.45 -2.58 115.31 115.64 1wpu h LEU 83 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1wpu h LEU 83 Cb 0.47 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1wpu h LEU 83 CO 0.02 0.11 0.37 0.45 0.09 0.00 0.00 178.44 179.49 1wpu h HIS 84 N 0.00 1.18 -0.12 1.13 3.86 -0.98 0.11 115.15 120.32 1wpu h HIS 84 Ca -0.00 -0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.04 1wpu h HIS 84 Cb 0.37 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1wpu h HIS 84 CO 0.00 0.86 -0.37 0.78 0.86 0.00 0.00 177.93 180.07 1wpu h GLY 85 N 1.15 0.27 0.88 2.45 0.00 -1.54 0.19 103.07 106.47 1wpu h GLY 85 Ca 0.28 -0.25 -0.18 0.00 0.00 0.00 0.00 47.33 47.18 1wpu h GLY 85 CO -0.03 0.22 -0.68 -2.08 0.00 0.00 0.00 176.54 173.97 1wpu h VAL 86 N 0.22 1.39 0.00 4.60 2.07 -1.10 -3.37 116.25 120.06 1wpu h VAL 86 Ca 0.02 -2.09 -0.09 0.00 0.82 0.00 0.00 66.70 65.37 1wpu h VAL 86 Cb 0.75 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1wpu h VAL 86 CO 0.06 0.62 -1.27 0.35 0.02 0.00 0.00 177.57 177.35 1wpu n THR 87 N -4.14 0.87 -3.81 2.57 -2.24 0.32 -4.86 114.28 102.99 1wpu n THR 87 Ca -0.10 -0.62 -0.35 0.00 -2.27 0.00 0.00 64.05 60.71 1wpu n THR 87 Cb 0.71 -0.51 0.03 0.00 -2.10 0.00 0.00 70.33 68.46 1wpu n THR 87 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wpu n ARG 88 N -2.76 -1.20 0.00 -0.78 1.74 0.66 -3.95 116.66 110.37 1wpu n ARG 88 Ca -0.05 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1wpu n ARG 88 Cb 0.70 -3.78 0.00 0.00 -1.02 0.00 0.00 32.46 28.36 1wpu n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wpu n GLY 89 N -1.82 3.33 3.00 -0.13 0.00 -1.26 -5.05 105.19 103.26 1wpu n GLY 89 Ca -0.12 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 1wpu n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wpu s GLU 90 N 0.00 2.17 -1.58 1.61 0.41 -1.25 -5.02 118.70 115.04 1wpu s GLU 90 Ca 0.00 -0.58 -0.11 0.00 -0.41 0.00 0.00 54.97 53.87 1wpu s GLU 90 Cb 0.00 -2.11 -0.05 0.00 -1.78 0.00 0.00 34.13 30.19 1wpu s GLU 90 CO 0.00 -0.27 2.75 -0.12 -0.49 0.00 0.00 175.26 177.12 1wpu n MET 91 N 4.77 3.46 -4.03 1.61 1.56 -1.26 -4.78 117.12 118.45 1wpu n MET 91 Ca -0.16 -2.32 -0.13 0.00 -0.27 0.00 0.00 57.70 54.81 1wpu n MET 91 Cb 0.49 -2.95 -0.13 0.00 2.15 0.00 0.00 33.22 32.79 1wpu n MET 91 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wpu s LEU 92 N 0.77 2.08 0.00 -0.89 1.43 -1.26 -4.96 118.68 115.85 1wpu s LEU 92 Ca 0.63 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1wpu s LEU 92 Cb 0.17 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 46.27 1wpu s LEU 92 CO -0.07 -0.06 0.00 0.18 0.23 0.00 0.00 176.35 176.64 1wpu n LEU 93 N 2.54 0.00 -0.31 1.79 4.77 -1.26 -4.70 117.00 119.83 1wpu n LEU 93 Ca -0.16 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 55.96 1wpu n LEU 93 Cb 0.58 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 42.04 1wpu n LEU 93 CO 0.24 0.00 1.21 1.23 -1.33 0.00 0.00 177.39 178.74 1wpu h GLY 94 N 0.00 1.39 2.00 -0.72 0.00 0.27 0.75 103.07 106.75 1wpu h GLY 94 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1wpu h GLY 94 CO 0.00 0.01 -0.02 1.48 0.00 0.00 0.00 176.54 178.01 1wpu h SER 95 N 0.68 0.00 -0.37 0.19 4.64 -1.87 -0.46 113.55 116.36 1wpu h SER 95 Ca 0.51 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.70 1wpu h SER 95 Cb 0.89 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.90 1wpu h SER 95 CO -0.27 0.02 0.01 0.18 -0.87 0.00 0.00 176.83 175.90 1wpu n LEU 96 N -3.30 4.24 -3.75 5.97 4.77 0.18 -4.96 117.00 120.14 1wpu n LEU 96 Ca -0.02 -3.46 -0.25 0.00 -0.03 0.00 0.00 56.01 52.24 1wpu n LEU 96 Cb 0.14 -0.62 0.04 0.00 -2.33 0.00 0.00 43.42 40.66 1wpu n LEU 96 CO 0.24 1.01 0.09 -0.11 -1.33 0.00 0.00 177.39 177.29 1wpu n LEU 97 N -0.88 -2.99 -4.07 2.23 7.94 -0.18 -5.00 117.00 114.05 1wpu n LEU 97 Ca 0.31 -0.73 -0.08 0.00 -1.11 0.00 0.00 56.01 54.40 1wpu n LEU 97 Cb 1.03 -2.73 -0.10 0.00 0.53 0.00 0.00 43.42 42.15 1wpu n LEU 97 CO 0.21 0.48 -0.36 0.00 -1.11 0.00 0.00 177.39 176.61 1wpu s ARG 98 N -6.28 0.54 0.09 1.96 1.70 -0.75 -4.34 118.95 111.88 1wpu s ARG 98 Ca 0.41 -1.07 0.04 0.00 -0.47 0.00 0.00 55.73 54.64 1wpu s ARG 98 Cb -0.20 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.31 1wpu s ARG 98 CO 0.80 -0.09 -0.10 -0.08 -1.08 0.00 0.00 175.30 174.75 1wpu s THR 99 N -3.26 0.89 0.07 4.99 -1.32 -0.08 -2.14 115.64 114.79 1wpu s THR 99 Ca 0.01 -1.55 0.07 0.00 -1.21 0.00 0.00 61.69 59.01 1wpu s THR 99 Cb 0.03 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.74 1wpu s THR 99 CO -0.07 -0.52 -0.18 0.68 -2.21 0.00 0.00 174.62 172.31 1wpu s VAL 100 N -2.26 1.46 -0.19 5.08 -7.23 -0.65 -1.64 120.40 114.98 1wpu s VAL 100 Ca 0.03 -1.32 -0.00 0.00 -1.81 0.00 0.00 61.98 58.88 1wpu s VAL 100 Cb -0.04 -1.33 0.05 0.00 0.56 0.00 0.00 36.38 35.62 1wpu s VAL 100 CO 0.00 -0.03 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.87 1wpu s GLY 101 N -1.58 1.10 0.15 2.32 0.00 -0.41 -0.98 107.32 107.91 1wpu s GLY 101 Ca 0.04 -1.04 0.06 0.00 0.00 0.00 0.00 44.72 43.78 1wpu s GLY 101 CO 0.03 0.91 -0.13 1.08 0.00 0.00 0.00 173.10 174.98 1wpu s LEU 102 N 1.53 2.49 0.05 0.66 1.43 0.49 -1.23 118.68 124.09 1wpu s LEU 102 Ca -0.01 -0.93 0.09 0.00 -1.03 0.00 0.00 54.13 52.25 1wpu s LEU 102 Cb -0.16 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 1wpu s LEU 102 CO -0.07 -0.21 -0.26 -0.13 0.23 0.00 0.00 176.35 175.91 1wpu s ARG 103 N -3.27 1.78 0.05 1.70 0.52 0.22 -0.99 118.95 118.95 1wpu s ARG 103 Ca 0.15 -1.12 -0.00 0.00 -0.52 0.00 0.00 55.73 54.24 1wpu s ARG 103 Cb -0.01 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 1wpu s ARG 103 CO 0.03 0.51 -0.04 -0.59 0.02 0.00 0.00 175.30 175.23 1wpu s PHE 104 N -0.82 0.54 -0.00 -0.53 -0.12 0.04 -1.55 117.98 115.53 1wpu s PHE 104 Ca 0.12 -0.90 -0.00 0.00 -0.05 0.00 0.00 56.93 56.10 1wpu s PHE 104 Cb -0.10 -0.37 0.00 0.00 -0.63 0.00 0.00 43.02 41.92 1wpu s PHE 104 CO 0.02 -0.29 0.01 0.00 -0.05 0.00 0.00 175.22 174.92 1wpu s ALA 105 N -3.21 -0.01 -0.11 1.99 0.00 -0.46 -1.32 121.76 118.64 1wpu s ALA 105 Ca 0.02 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.04 1wpu s ALA 105 Cb 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1wpu s ALA 105 CO -0.07 -0.01 -0.13 0.08 0.00 0.00 0.00 175.76 175.63 1wpu s VAL 106 N 0.11 1.34 -0.03 0.00 1.01 -0.04 -0.86 120.40 121.94 1wpu s VAL 106 Ca -0.01 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1wpu s VAL 106 Cb -0.01 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1wpu s VAL 106 CO -0.00 0.41 -0.24 -0.22 0.00 0.00 0.00 175.10 175.05 1wpu s LEU 107 N 1.23 2.04 -0.06 3.92 2.96 -0.33 -1.40 118.68 127.04 1wpu s LEU 107 Ca -0.02 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1wpu s LEU 107 Cb -0.14 -1.24 0.02 0.00 0.50 0.00 0.00 46.19 45.33 1wpu s LEU 107 CO -0.04 0.28 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.60 1wpu s ARG 108 N -0.46 1.06 0.00 1.98 3.52 -0.22 -0.93 118.95 123.90 1wpu s ARG 108 Ca 0.06 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 1wpu s ARG 108 Cb -0.10 -1.04 0.00 0.00 -1.56 0.00 0.00 34.95 32.25 1wpu s ARG 108 CO 0.00 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 1wpu n GLY 109 N 4.18 -1.73 3.49 8.12 0.00 -0.58 -1.61 105.19 117.05 1wpu n GLY 109 Ca -0.22 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1wpu n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wpu s ASN 110 N -1.49 6.10 0.00 1.61 3.84 -1.26 -0.38 114.94 123.36 1wpu s ASN 110 Ca 0.00 -0.70 0.29 0.00 0.21 0.00 0.00 52.86 52.65 1wpu s ASN 110 Cb 0.00 -2.16 1.17 0.00 -0.55 0.00 0.00 41.25 39.71 1wpu s ASN 110 CO 0.00 -0.39 1.81 -0.81 -2.79 0.00 0.00 177.10 174.93 1wpu n PRO 111 N 5.18 1.32 -3.36 0.43 -0.04 -1.26 -4.93 135.00 132.33 1wpu n PRO 111 Ca -0.11 -0.65 -0.21 0.00 -0.04 0.00 0.00 63.50 62.49 1wpu n PRO 111 Cb 0.48 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1wpu n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wpu s TYR 112 N -2.13 3.24 0.18 0.54 1.51 -1.26 -0.50 117.35 118.93 1wpu s TYR 112 Ca 0.37 0.02 -0.05 0.00 -1.01 0.00 0.00 57.07 56.39 1wpu s TYR 112 Cb 0.21 -2.04 0.08 0.00 -0.11 0.00 0.00 41.96 40.11 1wpu s TYR 112 CO 0.38 -0.06 1.51 0.93 -1.11 0.00 0.00 175.55 177.21 1wpu h GLU 113 N 0.75 0.66 -6.14 -0.62 5.08 -1.50 -3.43 114.58 109.39 1wpu h GLU 113 Ca -0.47 -0.39 -0.56 0.00 -1.00 0.00 0.00 59.36 56.94 1wpu h GLU 113 Cb 1.25 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 1wpu h GLU 113 CO 0.56 1.00 0.36 0.45 -1.00 0.00 0.00 179.01 180.39 1wpu s SER 114 N -6.90 7.12 0.46 1.42 0.15 -1.26 -4.93 113.70 109.76 1wpu s SER 114 Ca -0.08 1.36 0.31 0.00 0.70 0.00 0.00 55.95 58.24 1wpu s SER 114 Cb 0.11 -2.49 1.29 0.00 -1.71 0.00 0.00 66.02 63.22 1wpu s SER 114 CO 0.85 -0.32 1.91 -0.08 1.20 0.00 0.00 173.24 176.80 1wpu h GLU 115 N 7.04 0.00 0.00 5.44 4.81 -1.97 -2.68 114.58 127.21 1wpu h GLU 115 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1wpu h GLU 115 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1wpu h GLU 115 CO 0.80 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 179.08 1wpu n ALA 116 N -1.98 1.67 0.52 2.92 0.00 -1.26 -2.41 120.51 119.96 1wpu n ALA 116 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1wpu n ALA 116 Cb 0.27 -1.30 0.45 0.00 0.00 0.00 0.00 19.45 18.88 1wpu n ALA 116 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wpu n GLU 117 N -1.79 0.18 0.00 0.00 -0.58 -1.01 -5.00 120.64 112.44 1wpu n GLU 117 Ca 0.03 0.31 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 1wpu n GLU 117 Cb 0.19 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 1wpu n GLU 117 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wpu n GLY 118 N 0.51 -0.53 3.82 0.62 0.00 -1.01 -4.81 105.19 103.78 1wpu n GLY 118 Ca 0.04 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 1wpu n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wpu s ASP 119 N -4.00 7.02 0.24 1.61 1.01 -1.26 -4.14 116.67 117.15 1wpu s ASP 119 Ca 0.00 1.50 0.05 0.00 0.71 0.00 0.00 52.55 54.80 1wpu s ASP 119 Cb 0.00 -2.45 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 1wpu s ASP 119 CO 0.00 -0.10 -0.03 0.26 0.21 0.00 0.00 175.17 175.51 1wpu s TRP 120 N -1.75 1.66 0.00 4.23 0.52 0.49 -0.99 118.94 123.10 1wpu s TRP 120 Ca 0.50 -0.83 0.02 0.00 0.02 0.00 0.00 56.10 55.81 1wpu s TRP 120 Cb -0.14 -0.95 -0.01 0.00 -1.15 0.00 0.00 33.47 31.22 1wpu s TRP 120 CO 0.19 0.08 -0.07 -1.50 0.02 0.00 0.00 176.95 175.68 1wpu s ILE 121 N -3.27 0.51 -0.06 2.03 2.07 0.82 -1.53 121.20 121.78 1wpu s ILE 121 Ca 0.28 -0.35 0.04 0.00 -1.41 0.00 0.00 60.65 59.20 1wpu s ILE 121 Cb 0.05 -0.45 -0.00 0.00 0.13 0.00 0.00 42.46 42.19 1wpu s ILE 121 CO 0.09 0.09 -0.18 0.00 -1.91 0.00 0.00 174.94 173.03 1wpu s ALA 122 N -0.27 1.66 -0.19 1.50 0.00 -0.10 -1.26 121.76 123.10 1wpu s ALA 122 Ca 0.01 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1wpu s ALA 122 Cb -0.03 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.52 1wpu s ALA 122 CO -0.00 0.27 -0.15 0.08 0.00 0.00 0.00 175.76 175.96 1wpu s VAL 123 N 0.15 2.49 -0.03 0.00 1.01 0.03 -1.18 120.40 122.86 1wpu s VAL 123 Ca -0.07 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1wpu s VAL 123 Cb -0.13 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1wpu s VAL 123 CO 0.04 0.50 -0.24 -0.44 0.00 0.00 0.00 175.10 174.96 1wpu s SER 124 N 1.33 2.85 -0.01 3.32 0.01 -0.04 -0.86 113.70 120.31 1wpu s SER 124 Ca 0.05 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.90 1wpu s SER 124 Cb -0.13 -0.43 -0.01 0.00 0.21 0.00 0.00 66.02 65.65 1wpu s SER 124 CO -0.09 0.28 -0.15 -0.76 0.41 0.00 0.00 173.24 172.93 1wpu s LEU 125 N -0.46 2.02 -0.15 2.44 1.43 0.83 -1.35 118.68 123.43 1wpu s LEU 125 Ca 0.06 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 1wpu s LEU 125 Cb -0.10 -0.76 0.05 0.00 0.03 0.00 0.00 46.19 45.40 1wpu s LEU 125 CO 0.00 0.18 0.38 -0.47 0.23 0.00 0.00 176.35 176.67 1wpu s TYR 126 N -0.31 -0.49 -0.12 0.29 5.04 -0.60 -1.59 117.35 119.57 1wpu s TYR 126 Ca 0.05 1.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 1wpu s TYR 126 Cb -0.06 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.44 1wpu s TYR 126 CO -0.00 -0.26 0.00 0.41 -1.34 0.00 0.00 175.55 174.35 1wpu n GLY 127 N 3.59 -0.91 3.17 8.97 0.00 -0.79 -0.61 105.19 118.61 1wpu n GLY 127 Ca -0.19 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 1wpu n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wpu s THR 128 N -4.00 1.02 0.01 2.61 -4.23 -0.37 -1.06 115.64 109.62 1wpu s THR 128 Ca 0.00 -1.47 0.02 0.00 -1.18 0.00 0.00 61.69 59.06 1wpu s THR 128 Cb 0.00 -1.20 -0.01 0.00 1.34 0.00 0.00 72.50 72.63 1wpu s THR 128 CO 0.00 -0.40 -0.08 -0.51 -0.54 0.00 0.00 174.62 173.09 1wpu s ILE 129 N -1.86 0.61 -0.09 2.99 2.07 0.21 -1.29 121.20 123.85 1wpu s ILE 129 Ca 0.02 -0.56 0.00 0.00 -1.41 0.00 0.00 60.65 58.69 1wpu s ILE 129 Cb -0.07 -0.56 0.00 0.00 0.13 0.00 0.00 42.46 41.97 1wpu s ILE 129 CO 0.01 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1wpu n GLY 130 N 2.45 -1.14 3.79 1.50 0.00 -0.65 -1.51 105.19 109.63 1wpu n GLY 130 Ca -0.16 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 1wpu n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpu s ALA 131 N -1.00 2.46 -0.05 4.61 0.00 -0.36 -0.91 121.76 126.51 1wpu s ALA 131 Ca 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 1wpu s ALA 131 Cb 0.00 -3.24 -0.16 0.00 0.00 0.00 0.00 23.12 19.71 1wpu s ALA 131 CO 0.00 -1.44 2.43 -2.30 0.00 0.00 0.00 175.76 174.45 1wpu n PRO 132 N -3.12 1.29 -3.66 0.00 -0.02 -1.26 -4.63 135.00 123.60 1wpu n PRO 132 Ca 0.09 -0.66 -0.14 0.00 -2.02 0.00 0.00 63.50 60.76 1wpu n PRO 132 Cb 0.53 -1.84 -0.14 0.00 -0.02 0.00 0.00 33.50 32.03 1wpu n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wpu s ILE 133 N 1.83 -0.39 0.08 4.25 1.01 -1.26 -5.12 121.20 121.60 1wpu s ILE 133 Ca 0.42 0.29 -0.37 0.00 0.00 0.00 0.00 60.65 60.98 1wpu s ILE 133 Cb 0.19 -0.42 -0.17 0.00 0.01 0.00 0.00 42.46 42.07 1wpu s ILE 133 CO -0.00 0.12 1.32 1.17 0.00 0.00 0.00 174.94 177.55 1wpu n LYS 134 N 5.35 1.07 0.00 2.79 4.81 -1.26 -1.58 118.16 129.34 1wpu n LYS 134 Ca -0.06 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1wpu n LYS 134 Cb 0.50 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1wpu n LYS 134 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wpu n GLY 135 N 2.45 3.00 2.96 3.14 0.00 -1.26 -4.94 105.19 110.53 1wpu n GLY 135 Ca 0.18 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1wpu n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wpu n LEU 136 N 0.00 6.41 -3.65 0.99 4.77 -0.61 -4.87 117.00 120.03 1wpu n LEU 136 Ca 0.00 -4.52 -0.10 0.00 -0.03 0.00 0.00 56.01 51.36 1wpu n LEU 136 Cb 0.00 -1.53 -0.02 0.00 -2.33 0.00 0.00 43.42 39.53 1wpu n LEU 136 CO 0.00 1.20 0.39 -1.83 -1.33 0.00 0.00 177.39 175.82 1wpu s GLU 137 N 1.09 1.48 0.21 3.23 -1.05 -1.26 -1.23 118.70 121.17 1wpu s GLU 137 Ca 0.42 -0.75 -0.02 0.00 -0.15 0.00 0.00 54.97 54.47 1wpu s GLU 137 Cb 0.08 0.58 -0.04 0.00 -0.44 0.00 0.00 34.13 34.31 1wpu s GLU 137 CO -0.01 -0.65 0.17 -3.38 0.95 0.00 0.00 175.26 172.34 1wpu s HIS 138 N -3.84 1.12 0.78 4.83 -3.43 -0.57 -4.95 115.29 109.23 1wpu s HIS 138 Ca 0.07 -1.34 -0.11 0.00 -0.80 0.00 0.00 55.06 52.88 1wpu s HIS 138 Cb -0.03 -0.50 0.06 0.00 -1.43 0.00 0.00 32.58 30.69 1wpu s HIS 138 CO -0.04 -0.69 1.10 -1.21 -2.00 0.00 0.00 174.74 171.91 1wpu s GLU 139 N -4.11 2.14 -0.04 -0.38 2.02 -1.26 -0.62 118.70 116.46 1wpu s GLU 139 Ca 0.38 1.23 -0.13 0.00 0.02 0.00 0.00 54.97 56.46 1wpu s GLU 139 Cb 0.06 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.44 1wpu s GLU 139 CO 0.13 -1.74 0.31 -0.08 0.02 0.00 0.00 175.26 173.89 1wpu s THR 140 N -2.84 0.04 0.03 3.63 -1.32 -0.22 -4.65 115.64 110.31 1wpu s THR 140 Ca 0.62 -0.36 -0.01 0.00 -1.21 0.00 0.00 61.69 60.73 1wpu s THR 140 Cb -0.18 -0.56 -0.03 0.00 -1.51 0.00 0.00 72.50 70.22 1wpu s THR 140 CO 0.55 -0.20 -0.01 -0.36 -2.21 0.00 0.00 174.62 172.40 1wpu s PHE 141 N -0.92 0.35 -0.28 9.09 0.40 -1.26 -1.89 117.98 123.47 1wpu s PHE 141 Ca -0.10 -0.74 -0.21 0.00 -0.60 0.00 0.00 56.93 55.28 1wpu s PHE 141 Cb -0.05 -0.26 0.09 0.00 0.51 0.00 0.00 43.02 43.32 1wpu s PHE 141 CO 0.03 -0.29 0.80 0.20 0.70 0.00 0.00 175.22 176.65 1wpu s GLY 142 N -2.14 -0.44 -0.04 4.36 0.00 -0.62 -2.46 107.32 105.97 1wpu s GLY 142 Ca -0.05 2.42 0.01 0.00 0.00 0.00 0.00 44.72 47.10 1wpu s GLY 142 CO -0.05 2.10 -0.03 0.14 0.00 0.00 0.00 173.10 175.26 1wpu s VAL 143 N 0.91 0.43 -0.03 1.40 1.01 -1.26 -0.12 120.40 122.75 1wpu s VAL 143 Ca -0.04 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1wpu s VAL 143 Cb -0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 1wpu s VAL 143 CO -0.09 0.21 -0.20 -0.83 0.00 0.00 0.00 175.10 174.18 1wpu s GLY 144 N 1.04 1.02 -0.02 4.51 0.00 -0.04 -4.13 107.32 109.71 1wpu s GLY 144 Ca -0.09 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 43.80 1wpu s GLY 144 CO -0.01 -0.64 -0.14 -0.42 0.00 0.00 0.00 173.10 171.89 1wpu s ILE 145 N -0.33 1.13 0.10 0.90 1.01 -1.26 -0.79 121.20 121.95 1wpu s ILE 145 Ca 0.04 -0.58 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 1wpu s ILE 145 Cb -0.09 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.43 1wpu s ILE 145 CO 0.00 0.33 0.31 0.21 0.00 0.00 0.00 174.94 175.79 1wpu s ASN 146 N -0.08 -0.09 0.34 3.58 2.47 -0.39 -4.86 114.94 115.91 1wpu s ASN 146 Ca 0.00 -0.42 -0.15 0.00 0.42 0.00 0.00 52.86 52.71 1wpu s ASN 146 Cb -0.08 0.41 -0.09 0.00 -1.45 0.00 0.00 41.25 40.04 1wpu s ASN 146 CO 0.01 -0.77 0.75 -1.38 -3.72 0.00 0.00 177.10 171.98 1wpu s HIS 147 N -3.65 3.38 0.00 0.43 -3.43 -1.26 -0.13 115.29 110.63 1wpu s HIS 147 Ca 0.03 1.22 0.00 0.00 -0.80 0.00 0.00 55.06 55.51 1wpu s HIS 147 Cb 0.03 -2.54 0.00 0.00 -1.43 0.00 0.00 32.58 28.63 1wpu s HIS 147 CO -0.10 0.06 0.00 1.51 -2.00 0.00 0.00 174.74 174.20