#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o5u s VAL 3 N 0.00 1.15 -0.14 6.31 1.01 -1.26 -4.49 120.40 122.98 1o5u s VAL 3 Ca 0.00 -1.31 -0.25 0.00 0.00 0.00 0.00 61.98 60.42 1o5u s VAL 3 Cb 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1o5u s VAL 3 CO 0.00 -0.43 0.83 -0.75 0.00 0.00 0.00 175.10 174.75 1o5u s LYS 4 N 1.52 4.34 -0.06 2.72 2.20 -0.85 -4.95 119.74 124.66 1o5u s LYS 4 Ca 0.04 1.04 0.02 0.00 -0.36 0.00 0.00 55.97 56.71 1o5u s LYS 4 Cb -0.18 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.60 1o5u s LYS 4 CO -0.15 -0.25 -0.12 0.42 -0.36 0.00 0.00 175.35 174.88 1o5u s ILE 5 N 1.88 1.13 0.05 5.43 1.01 -1.26 -0.41 121.20 129.03 1o5u s ILE 5 Ca 0.39 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.52 1o5u s ILE 5 Cb -0.17 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 1o5u s ILE 5 CO 0.14 0.35 0.05 -1.83 0.00 0.00 0.00 174.94 173.66 1o5u s GLU 6 N 0.58 0.63 -0.46 2.79 -1.05 -0.33 -4.99 118.70 115.87 1o5u s GLU 6 Ca -0.13 -0.99 -0.16 0.00 -0.15 0.00 0.00 54.97 53.54 1o5u s GLU 6 Cb -0.15 0.24 0.06 0.00 -0.44 0.00 0.00 34.13 33.83 1o5u s GLU 6 CO 0.03 -0.15 0.43 0.15 0.95 0.00 0.00 175.26 176.68 1o5u s LYS 7 N -3.35 3.02 0.47 -4.83 3.01 -1.26 -0.67 119.74 116.12 1o5u s LYS 7 Ca 0.01 -1.14 -0.21 0.00 -1.01 0.00 0.00 55.97 53.63 1o5u s LYS 7 Cb 0.03 -4.09 -0.09 0.00 -1.01 0.00 0.00 37.83 32.68 1o5u s LYS 7 CO -0.08 -1.01 1.02 -1.25 0.51 0.00 0.00 175.35 174.54 1o5u s PRO 8 N 1.91 3.93 0.74 -1.68 0.04 -1.26 -5.02 135.00 133.65 1o5u s PRO 8 Ca 0.07 1.31 -0.13 0.00 0.04 0.00 0.00 61.00 62.30 1o5u s PRO 8 Cb -0.22 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.22 1o5u s PRO 8 CO 0.09 -0.31 1.12 0.95 0.04 0.00 0.00 177.00 178.89 1o5u s THR 9 N -2.01 3.06 0.27 1.26 -4.23 -1.26 -4.86 115.64 107.86 1o5u s THR 9 Ca 0.65 0.42 -0.01 0.00 -1.18 0.00 0.00 61.69 61.57 1o5u s THR 9 Cb -0.15 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 71.06 1o5u s THR 9 CO 0.19 -0.37 1.79 -0.65 -0.54 0.00 0.00 174.62 175.03 1o5u h PRO 10 N -0.65 0.72 -0.48 3.99 0.11 -1.99 -1.97 132.00 131.72 1o5u h PRO 10 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1o5u h PRO 10 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1o5u h PRO 10 CO 0.51 0.47 0.06 1.49 -0.21 0.00 0.00 178.00 180.32 1o5u h GLU 11 N 0.74 0.82 -0.39 1.05 4.57 -1.98 -0.24 114.58 119.15 1o5u h GLU 11 Ca 0.46 -0.23 0.04 0.00 -1.18 0.00 0.00 59.36 58.46 1o5u h GLU 11 Cb 0.58 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1o5u h GLU 11 CO -0.32 0.83 0.14 -0.22 -1.18 0.00 0.00 179.01 178.27 1o5u h LYS 12 N 0.68 0.30 -0.20 1.92 3.64 -1.80 0.15 116.57 121.27 1o5u h LYS 12 Ca 0.14 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1o5u h LYS 12 Cb 0.43 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1o5u h LYS 12 CO 0.01 0.20 0.05 -0.07 -2.27 0.00 0.00 179.45 177.37 1o5u h LEU 13 N 0.31 0.04 -0.26 5.20 3.38 -1.23 -1.54 115.31 121.21 1o5u h LEU 13 Ca 0.18 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1o5u h LEU 13 Cb 0.14 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1o5u h LEU 13 CO -0.17 0.05 0.00 0.50 0.09 0.00 0.00 178.44 178.92 1o5u h LYS 14 N 0.14 0.08 0.00 1.13 3.64 -0.50 -1.80 116.57 119.26 1o5u h LYS 14 Ca 0.09 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1o5u h LYS 14 Cb 0.07 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1o5u h LYS 14 CO -0.10 0.06 0.00 0.93 -2.27 0.00 0.00 179.45 178.06 1o5u h GLU 15 N 0.09 0.00 0.00 1.90 5.08 -0.51 -1.55 114.58 119.59 1o5u h GLU 15 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1o5u h GLU 15 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1o5u h GLU 15 CO -0.20 0.00 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.73 1o5u h LEU 16 N 0.00 0.00 -1.94 1.33 3.38 -0.42 -3.48 115.31 114.18 1o5u h LEU 16 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1o5u h LEU 16 Cb 0.55 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.32 1o5u h LEU 16 CO 0.00 0.01 -0.86 -1.20 0.09 0.00 0.00 178.44 176.48 1o5u n SER 17 N -3.10 -1.15 0.28 -0.43 7.64 -0.58 -4.85 113.62 111.42 1o5u n SER 17 Ca 0.03 -0.90 0.19 0.00 1.01 0.00 0.00 58.87 59.19 1o5u n SER 17 Cb 0.47 -3.64 0.87 0.00 -1.01 0.00 0.00 64.21 60.90 1o5u n SER 17 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1o5u h VAL 18 N -1.85 0.00 0.00 0.44 -1.51 -1.83 -1.13 116.25 110.37 1o5u h VAL 18 Ca -0.62 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 1o5u h VAL 18 Cb 1.36 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1o5u h VAL 18 CO 0.58 0.00 0.00 -1.84 -1.23 0.00 0.00 177.57 175.08 1o5u n GLU 19 N -2.98 0.04 0.00 5.19 0.00 -1.26 -1.34 120.64 120.28 1o5u n GLU 19 Ca -0.01 0.13 0.13 0.00 0.00 0.00 0.00 57.16 57.41 1o5u n GLU 19 Cb 0.20 -1.55 0.36 0.00 0.00 0.00 0.00 31.44 30.45 1o5u n GLU 19 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1o5u n LYS 20 N -1.62 0.47 -2.53 3.44 5.02 -0.43 -4.92 118.16 117.60 1o5u n LYS 20 Ca 0.05 -0.26 -0.33 0.00 -2.02 0.00 0.00 58.31 55.76 1o5u n LYS 20 Cb 0.28 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 1o5u n LYS 20 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1o5u s TRP 21 N -2.71 3.34 0.87 2.13 0.51 -0.45 -5.04 118.94 117.60 1o5u s TRP 21 Ca 0.19 1.53 -0.10 0.00 -2.12 0.00 0.00 56.10 55.60 1o5u s TRP 21 Cb 0.19 -2.85 0.12 0.00 -0.81 0.00 0.00 33.47 30.12 1o5u s TRP 21 CO 0.58 -0.36 1.12 -1.25 -0.51 0.00 0.00 176.95 176.54 1o5u s PRO 22 N -3.70 1.39 -0.04 4.98 0.04 -1.24 -4.66 135.00 131.77 1o5u s PRO 22 Ca 0.61 1.38 0.04 0.00 0.04 0.00 0.00 61.00 63.07 1o5u s PRO 22 Cb -0.10 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1o5u s PRO 22 CO 0.24 -2.32 -0.13 0.42 0.04 0.00 0.00 177.00 175.25 1o5u s ILE 23 N -2.74 3.17 -0.01 0.56 1.01 -1.26 -0.99 121.20 120.95 1o5u s ILE 23 Ca 0.65 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.58 1o5u s ILE 23 Cb -0.21 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1o5u s ILE 23 CO 0.57 0.55 -0.09 0.86 0.00 0.00 0.00 174.94 176.83 1o5u s TRP 24 N -0.79 0.83 0.09 3.97 -0.00 -0.06 -4.99 118.94 117.99 1o5u s TRP 24 Ca 0.13 -0.16 0.05 0.00 -0.00 0.00 0.00 56.10 56.12 1o5u s TRP 24 Cb -0.11 -0.53 -0.03 0.00 -0.00 0.00 0.00 33.47 32.80 1o5u s TRP 24 CO 0.02 -0.01 -0.14 -1.21 -0.00 0.00 0.00 176.95 175.60 1o5u s GLU 25 N -0.22 0.89 -0.20 5.86 2.02 -1.26 -1.08 118.70 124.70 1o5u s GLU 25 Ca 0.04 -1.06 -0.15 0.00 0.02 0.00 0.00 54.97 53.82 1o5u s GLU 25 Cb -0.04 -0.84 0.06 0.00 0.10 0.00 0.00 34.13 33.41 1o5u s GLU 25 CO -0.00 0.18 0.51 0.21 0.02 0.00 0.00 175.26 176.17 1o5u s LYS 26 N -2.11 0.55 1.00 1.61 2.47 -0.49 -5.00 119.74 117.78 1o5u s LYS 26 Ca 0.02 0.83 -0.14 0.00 -1.56 0.00 0.00 55.97 55.13 1o5u s LYS 26 Cb -0.08 0.16 0.19 0.00 -1.46 0.00 0.00 37.83 36.64 1o5u s LYS 26 CO 0.02 -0.12 1.13 -1.83 0.16 0.00 0.00 175.35 174.71 1o5u s GLU 27 N 0.90 0.44 0.14 4.03 1.03 -1.26 -0.86 118.70 123.11 1o5u s GLU 27 Ca -0.05 0.27 -0.33 0.00 0.03 0.00 0.00 54.97 54.89 1o5u s GLU 27 Cb -0.05 -1.76 -0.13 0.00 -0.80 0.00 0.00 34.13 31.38 1o5u s GLU 27 CO -0.07 -2.67 1.65 0.28 -1.33 0.00 0.00 175.26 173.11 1o5u n VAL 28 N -4.09 0.08 0.00 1.83 0.31 -1.26 -4.80 118.33 110.40 1o5u n VAL 28 Ca 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1o5u n VAL 28 Cb 0.59 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1o5u n VAL 28 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1o5u n SER 29 N 3.97 0.00 -3.80 4.52 3.41 -1.14 -5.00 113.62 115.57 1o5u n SER 29 Ca 0.17 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.65 1o5u n SER 29 Cb 0.30 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.10 1o5u n SER 29 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1o5u s GLU 30 N -2.00 0.00 -0.11 4.33 2.12 -1.26 -0.73 118.70 121.06 1o5u s GLU 30 Ca 0.00 0.16 -0.30 0.00 0.36 0.00 0.00 54.97 55.19 1o5u s GLU 30 Cb 0.00 -0.14 0.10 0.00 0.26 0.00 0.00 34.13 34.34 1o5u s GLU 30 CO 0.00 -0.11 0.82 -0.59 -0.54 0.00 0.00 175.26 174.84 1o5u s PHE 31 N 0.70 -0.54 0.39 5.30 -0.12 -0.29 -4.99 117.98 118.42 1o5u s PHE 31 Ca -0.06 0.94 -0.23 0.00 -0.05 0.00 0.00 56.93 57.53 1o5u s PHE 31 Cb -0.08 0.42 -0.10 0.00 -0.63 0.00 0.00 43.02 42.63 1o5u s PHE 31 CO -0.02 -0.48 0.97 -0.51 -0.05 0.00 0.00 175.22 175.13 1o5u s ASP 32 N -1.09 7.02 0.01 1.98 1.01 -1.26 -0.64 116.67 123.70 1o5u s ASP 32 Ca -0.07 1.83 0.00 0.00 0.71 0.00 0.00 52.55 55.02 1o5u s ASP 32 Cb -0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1o5u s ASP 32 CO 0.06 -0.30 -0.01 0.86 0.21 0.00 0.00 175.17 175.98 1o5u s TRP 33 N -1.85 0.12 -0.08 4.23 -0.11 0.05 -4.92 118.94 116.38 1o5u s TRP 33 Ca 0.57 -0.25 0.03 0.00 1.22 0.00 0.00 56.10 57.67 1o5u s TRP 33 Cb -0.16 -0.09 0.01 0.00 -1.50 0.00 0.00 33.47 31.73 1o5u s TRP 33 CO 0.20 -0.09 -0.16 -0.47 -4.62 0.00 0.00 176.95 171.81 1o5u s TYR 34 N -0.69 1.86 -0.56 5.86 5.04 -1.26 -1.12 117.35 126.48 1o5u s TYR 34 Ca -0.08 -0.75 -0.22 0.00 -2.44 0.00 0.00 57.07 53.59 1o5u s TYR 34 Cb -0.05 -1.31 0.06 0.00 0.35 0.00 0.00 41.96 41.01 1o5u s TYR 34 CO -0.00 -0.35 0.82 0.71 -1.34 0.00 0.00 175.55 175.38 1o5u s TYR 35 N 0.64 2.87 -2.21 4.97 1.51 -0.01 -4.87 117.35 120.25 1o5u s TYR 35 Ca -0.14 -0.40 0.24 0.00 -1.01 0.00 0.00 57.07 55.76 1o5u s TYR 35 Cb -0.16 -3.94 1.15 0.00 -0.11 0.00 0.00 41.96 38.90 1o5u s TYR 35 CO 0.04 -1.31 1.78 -0.40 -1.11 0.00 0.00 175.55 174.55 1o5u n ASP 36 N 6.97 0.87 -4.03 2.29 5.68 -1.26 -0.69 116.55 126.38 1o5u n ASP 36 Ca -0.03 -1.44 -0.11 0.00 -0.50 0.00 0.00 54.79 52.70 1o5u n ASP 36 Cb 0.46 -0.03 -0.08 0.00 -1.14 0.00 0.00 41.12 40.33 1o5u n ASP 36 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1o5u s THR 37 N -1.94 0.00 0.66 2.12 -4.23 -1.26 -4.85 115.64 106.15 1o5u s THR 37 Ca 0.36 -1.76 -0.16 0.00 -1.18 0.00 0.00 61.69 58.96 1o5u s THR 37 Cb 0.18 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.62 1o5u s THR 37 CO 0.29 0.00 1.14 0.20 -0.54 0.00 0.00 174.62 175.71 1o5u s ASN 38 N -3.12 4.95 -0.09 3.99 0.01 -1.26 -3.61 114.94 115.80 1o5u s ASN 38 Ca 0.32 2.12 -0.06 0.00 -0.71 0.00 0.00 52.86 54.54 1o5u s ASN 38 Cb 0.04 -2.56 0.04 0.00 0.41 0.00 0.00 41.25 39.17 1o5u s ASN 38 CO 0.12 -1.74 0.22 -0.70 -1.51 0.00 0.00 177.10 173.49 1o5u s GLU 39 N -3.94 0.21 -0.10 -0.60 2.12 -0.13 -1.82 118.70 114.43 1o5u s GLU 39 Ca 0.70 0.44 -0.01 0.00 0.36 0.00 0.00 54.97 56.46 1o5u s GLU 39 Cb -0.23 -0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.07 1o5u s GLU 39 CO 0.41 -0.12 -0.07 0.99 -0.54 0.00 0.00 175.26 175.93 1o5u s THR 40 N 0.91 3.69 -0.03 -1.70 2.01 -0.41 -0.55 115.64 119.57 1o5u s THR 40 Ca -0.07 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.52 1o5u s THR 40 Cb -0.08 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 1o5u s THR 40 CO -0.06 0.56 -0.17 0.00 -0.69 0.00 0.00 174.62 174.26 1o5u s TYR 42 N -0.19 2.96 -0.28 0.00 6.14 -0.05 -0.30 117.35 125.63 1o5u s TYR 42 Ca 0.02 -0.80 -0.20 0.00 0.64 0.00 0.00 57.07 56.72 1o5u s TYR 42 Cb -0.09 -2.07 -0.01 0.00 0.42 0.00 0.00 41.96 40.20 1o5u s TYR 42 CO 0.01 -0.45 0.64 0.42 0.64 0.00 0.00 175.55 176.81 1o5u s ILE 43 N 1.26 4.95 0.00 3.14 -1.09 -0.40 -1.38 121.20 127.69 1o5u s ILE 43 Ca 0.03 0.99 -0.00 0.00 -2.23 0.00 0.00 60.65 59.44 1o5u s ILE 43 Cb -0.14 -3.98 -0.26 0.00 -1.58 0.00 0.00 42.46 36.49 1o5u s ILE 43 CO -0.01 -0.07 0.86 -0.07 -1.23 0.00 0.00 174.94 174.41 1o5u h LEU 44 N 9.07 0.30 -7.16 2.97 3.38 -1.03 0.11 115.31 122.95 1o5u h LEU 44 Ca -0.27 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.19 1o5u h LEU 44 Cb 1.12 -0.10 -0.20 0.00 0.09 0.00 0.00 40.66 41.57 1o5u h LEU 44 CO 0.79 1.37 0.03 -1.61 0.09 0.00 0.00 178.44 179.11 1o5u s GLU 45 N -2.62 0.90 0.00 1.13 0.41 -0.88 -4.74 118.70 112.90 1o5u s GLU 45 Ca -0.08 0.21 0.00 0.00 -0.41 0.00 0.00 54.97 54.69 1o5u s GLU 45 Cb 0.07 0.42 0.00 0.00 -1.78 0.00 0.00 34.13 32.84 1o5u s GLU 45 CO 0.84 -0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.77 1o5u n GLY 46 N 1.26 -1.54 3.54 -1.39 0.00 -1.21 -1.42 105.19 104.44 1o5u n GLY 46 Ca -0.19 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.65 1o5u n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o5u s LYS 47 N 0.00 0.68 -0.00 1.61 2.20 -0.86 -1.96 119.74 121.41 1o5u s LYS 47 Ca 0.00 1.02 -0.00 0.00 -0.36 0.00 0.00 55.97 56.62 1o5u s LYS 47 Cb 0.00 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1o5u s LYS 47 CO 0.00 -0.13 0.00 0.08 -0.36 0.00 0.00 175.35 174.95 1o5u s VAL 48 N 1.05 0.01 -0.24 4.02 1.01 -0.32 -0.57 120.40 125.35 1o5u s VAL 48 Ca -0.06 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 1o5u s VAL 48 Cb -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 36.38 36.25 1o5u s VAL 48 CO -0.10 -0.04 0.12 -0.70 0.00 0.00 0.00 175.10 174.39 1o5u s GLU 49 N -0.10 3.92 -0.20 2.72 2.12 -0.06 -0.86 118.70 126.24 1o5u s GLU 49 Ca -0.01 -0.35 -0.05 0.00 0.36 0.00 0.00 54.97 54.92 1o5u s GLU 49 Cb -0.01 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1o5u s GLU 49 CO -0.00 -0.01 -0.01 0.08 -0.54 0.00 0.00 175.26 174.78 1o5u s VAL 50 N 1.20 3.89 -0.18 3.70 1.01 -0.04 -0.62 120.40 129.35 1o5u s VAL 50 Ca 0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1o5u s VAL 50 Cb -0.14 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1o5u s VAL 50 CO 0.05 0.43 -0.06 -0.89 0.00 0.00 0.00 175.10 174.63 1o5u s THR 51 N 1.03 3.43 0.69 3.92 2.01 -0.53 -1.10 115.64 125.08 1o5u s THR 51 Ca 0.02 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.43 1o5u s THR 51 Cb -0.14 -2.52 0.03 0.00 0.01 0.00 0.00 72.50 69.88 1o5u s THR 51 CO 0.01 0.46 1.05 0.42 -0.69 0.00 0.00 174.62 175.87 1o5u s THR 52 N 0.94 3.10 0.32 -0.82 -4.23 -0.11 -0.26 115.64 114.57 1o5u s THR 52 Ca -0.01 0.16 0.04 0.00 -1.18 0.00 0.00 61.69 60.70 1o5u s THR 52 Cb -0.15 -3.32 0.30 0.00 1.34 0.00 0.00 72.50 70.67 1o5u s THR 52 CO 0.01 -0.39 1.87 -0.08 -0.54 0.00 0.00 174.62 175.49 1o5u h GLU 53 N -0.59 0.86 -0.16 3.99 4.81 -1.58 -0.73 114.58 121.17 1o5u h GLU 53 Ca -0.45 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1o5u h GLU 53 Cb 1.28 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1o5u h GLU 53 CO 0.63 0.57 0.00 -0.40 -0.73 0.00 0.00 179.01 179.08 1o5u n ASP 54 N -4.56 1.19 0.00 1.04 5.68 -1.26 -4.91 116.55 113.73 1o5u n ASP 54 Ca 0.17 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1o5u n ASP 54 Cb 0.34 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1o5u n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1o5u n GLY 55 N 0.97 0.63 3.74 6.12 0.00 -0.28 -5.07 105.19 111.30 1o5u n GLY 55 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1o5u n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o5u s LYS 56 N -0.74 4.57 -0.06 1.61 1.02 -1.26 -4.72 119.74 120.16 1o5u s LYS 56 Ca 0.00 1.80 0.06 0.00 0.02 0.00 0.00 55.97 57.84 1o5u s LYS 56 Cb 0.00 -3.24 -0.01 0.00 -0.52 0.00 0.00 37.83 34.06 1o5u s LYS 56 CO 0.00 0.06 -0.25 0.15 -0.92 0.00 0.00 175.35 174.40 1o5u s LYS 57 N -0.66 2.61 0.02 1.68 1.02 -1.26 -0.93 119.74 122.22 1o5u s LYS 57 Ca 0.49 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1o5u s LYS 57 Cb -0.31 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1o5u s LYS 57 CO 0.37 0.34 -0.03 0.71 -0.92 0.00 0.00 175.35 175.83 1o5u s TYR 58 N -0.07 0.24 -0.14 3.18 2.02 -0.26 -4.99 117.35 117.33 1o5u s TYR 58 Ca -0.06 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.17 1o5u s TYR 58 Cb -0.14 -0.17 -0.02 0.00 -0.40 0.00 0.00 41.96 41.23 1o5u s TYR 58 CO 0.05 -0.16 -0.11 0.08 -1.57 0.00 0.00 175.55 173.84 1o5u s VAL 59 N -1.25 3.20 0.06 0.71 1.01 -1.26 -0.86 120.40 122.01 1o5u s VAL 59 Ca -0.13 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.33 1o5u s VAL 59 Cb -0.09 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1o5u s VAL 59 CO -0.01 0.51 -0.24 0.27 0.00 0.00 0.00 175.10 175.64 1o5u s ILE 60 N 0.44 2.37 0.36 2.22 -4.36 -0.04 -4.99 121.20 117.18 1o5u s ILE 60 Ca -0.08 -1.39 -0.08 0.00 -0.26 0.00 0.00 60.65 58.84 1o5u s ILE 60 Cb -0.15 -1.97 0.02 0.00 1.25 0.00 0.00 42.46 41.61 1o5u s ILE 60 CO 0.04 0.31 0.59 -1.83 0.24 0.00 0.00 174.94 174.29 1o5u s GLU 61 N -1.44 2.02 0.08 0.37 -1.05 -1.26 -1.18 118.70 116.24 1o5u s GLU 61 Ca 0.13 -1.62 -0.37 0.00 -0.15 0.00 0.00 54.97 52.96 1o5u s GLU 61 Cb -0.10 0.51 -0.18 0.00 -0.44 0.00 0.00 34.13 33.92 1o5u s GLU 61 CO 0.04 -0.88 1.20 1.17 0.95 0.00 0.00 175.26 177.74 1o5u n LYS 62 N -0.55 0.76 -0.00 -4.83 4.81 -0.83 -1.65 118.16 115.87 1o5u n LYS 62 Ca -0.02 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1o5u n LYS 62 Cb 0.61 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.83 1o5u n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1o5u n GLY 63 N 2.11 0.72 3.74 3.14 0.00 0.38 -5.02 105.19 110.26 1o5u n GLY 63 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1o5u n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1o5u s ASP 64 N -2.48 7.57 -0.27 1.61 -0.00 -0.66 -4.32 116.67 118.12 1o5u s ASP 64 Ca 0.00 1.86 -0.09 0.00 -0.00 0.00 0.00 52.55 54.32 1o5u s ASP 64 Cb 0.00 -2.59 -0.03 0.00 -0.00 0.00 0.00 42.92 40.30 1o5u s ASP 64 CO 0.00 0.07 0.12 -0.22 -0.00 0.00 0.00 175.17 175.14 1o5u s LEU 65 N -0.71 3.71 -0.08 1.23 2.96 0.15 -1.28 118.68 124.67 1o5u s LEU 65 Ca 0.43 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.18 1o5u s LEU 65 Cb -0.25 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.45 1o5u s LEU 65 CO 0.31 -0.07 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.35 1o5u s VAL 66 N 1.65 1.96 -0.15 1.68 1.01 0.59 -1.18 120.40 125.96 1o5u s VAL 66 Ca 0.06 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1o5u s VAL 66 Cb -0.16 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1o5u s VAL 66 CO 0.06 0.54 -0.18 -0.89 0.00 0.00 0.00 175.10 174.63 1o5u s THR 67 N 0.20 2.39 -0.15 3.92 2.01 0.45 -0.43 115.64 124.02 1o5u s THR 67 Ca -0.13 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 1o5u s THR 67 Cb -0.16 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 1o5u s THR 67 CO 0.07 0.53 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.15 1o5u s PHE 68 N 0.85 3.08 0.25 4.92 0.40 0.29 -2.00 117.98 125.76 1o5u s PHE 68 Ca -0.05 -0.19 -0.25 0.00 -0.60 0.00 0.00 56.93 55.84 1o5u s PHE 68 Cb -0.15 -1.97 -0.09 0.00 0.51 0.00 0.00 43.02 41.32 1o5u s PHE 68 CO -0.02 0.04 0.85 -1.25 0.70 0.00 0.00 175.22 175.54 1o5u s PRO 69 N 0.26 4.54 0.21 0.24 0.04 -1.26 -0.95 135.00 138.07 1o5u s PRO 69 Ca -0.01 1.19 -0.32 0.00 0.04 0.00 0.00 61.00 61.90 1o5u s PRO 69 Cb -0.14 -3.00 -0.15 0.00 0.04 0.00 0.00 34.50 31.26 1o5u s PRO 69 CO 0.02 0.42 1.25 1.17 0.04 0.00 0.00 177.00 179.90 1o5u n LYS 70 N 0.99 1.54 -0.01 4.56 4.81 -1.24 -2.08 118.16 126.74 1o5u n LYS 70 Ca -0.02 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1o5u n LYS 70 Cb 0.50 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.45 1o5u n LYS 70 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1o5u n GLY 71 N 1.97 0.68 3.72 3.14 0.00 0.13 -4.94 105.19 109.89 1o5u n GLY 71 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1o5u n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1o5u s LEU 72 N 0.00 4.38 -0.08 0.99 2.96 -0.88 -4.84 118.68 121.20 1o5u s LEU 72 Ca 0.00 2.11 0.01 0.00 -0.22 0.00 0.00 54.13 56.03 1o5u s LEU 72 Cb 0.00 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 1o5u s LEU 72 CO 0.00 -0.49 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.30 1o5u s ARG 73 N 0.87 2.90 0.37 1.98 0.52 -1.26 -0.83 118.95 123.52 1o5u s ARG 73 Ca 0.59 -0.63 -0.15 0.00 -0.52 0.00 0.00 55.73 55.02 1o5u s ARG 73 Cb -0.31 -2.56 0.05 0.00 0.52 0.00 0.00 34.95 32.65 1o5u s ARG 73 CO 0.30 0.50 0.76 0.00 0.02 0.00 0.00 175.30 176.88 1o5u s ARG 75 N -2.50 2.19 -0.13 0.00 3.52 0.64 -0.77 118.95 121.89 1o5u s ARG 75 Ca 0.16 -0.57 -0.16 0.00 -0.13 0.00 0.00 55.73 55.03 1o5u s ARG 75 Cb -0.05 -1.76 -0.04 0.00 -1.56 0.00 0.00 34.95 31.54 1o5u s ARG 75 CO 0.12 0.05 0.39 -1.58 -0.81 0.00 0.00 175.30 173.47 1o5u s TRP 76 N 0.64 3.50 -0.36 5.12 0.52 0.19 -1.46 118.94 127.09 1o5u s TRP 76 Ca -0.14 0.76 0.02 0.00 0.02 0.00 0.00 56.10 56.76 1o5u s TRP 76 Cb -0.16 -2.44 0.10 0.00 -1.15 0.00 0.00 33.47 29.82 1o5u s TRP 76 CO 0.04 0.22 0.10 0.21 0.02 0.00 0.00 176.95 177.54 1o5u s LYS 77 N 0.47 1.64 -0.32 4.98 2.20 0.21 -1.14 119.74 127.77 1o5u s LYS 77 Ca 0.22 -1.87 -0.29 0.00 -0.36 0.00 0.00 55.97 53.66 1o5u s LYS 77 Cb -0.14 -3.32 -0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1o5u s LYS 77 CO 0.08 -0.98 1.41 0.08 -0.36 0.00 0.00 175.35 175.57 1o5u s VAL 78 N 0.95 3.96 -0.15 4.02 1.01 0.09 -0.88 120.40 129.41 1o5u s VAL 78 Ca 0.10 1.05 0.06 0.00 0.00 0.00 0.00 61.98 63.20 1o5u s VAL 78 Cb -0.20 -4.08 -0.23 0.00 0.00 0.00 0.00 36.38 31.87 1o5u s VAL 78 CO -0.07 -0.54 0.25 0.18 0.00 0.00 0.00 175.10 174.93 1o5u n LEU 79 N 8.25 1.61 -4.02 3.92 4.77 0.26 -2.89 117.00 128.91 1o5u n LEU 79 Ca 0.16 0.14 -0.21 0.00 -0.03 0.00 0.00 56.01 56.08 1o5u n LEU 79 Cb 0.47 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 1o5u n LEU 79 CO 0.66 0.66 -0.44 -1.61 -1.33 0.00 0.00 177.39 175.33 1o5u s GLU 80 N -2.55 0.99 0.00 3.23 2.02 -0.84 -4.93 118.70 116.63 1o5u s GLU 80 Ca -0.17 -0.35 -0.39 0.00 0.02 0.00 0.00 54.97 54.09 1o5u s GLU 80 Cb 0.07 -0.93 -0.18 0.00 0.10 0.00 0.00 34.13 33.19 1o5u s GLU 80 CO 0.76 0.15 1.27 -2.30 0.02 0.00 0.00 175.26 175.16 1o5u n PRO 81 N 3.16 0.64 -4.33 0.39 -0.02 -1.26 -2.03 135.00 131.54 1o5u n PRO 81 Ca -0.17 0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 61.21 1o5u n PRO 81 Cb 0.55 -1.81 -0.09 0.00 -0.02 0.00 0.00 33.50 32.12 1o5u n PRO 81 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1o5u s VAL 82 N 0.60 4.20 -0.02 -1.45 0.11 -0.04 -3.32 120.40 120.47 1o5u s VAL 82 Ca 0.89 -0.46 0.03 0.00 -2.93 0.00 0.00 61.98 59.51 1o5u s VAL 82 Cb -1.11 -2.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.91 1o5u s VAL 82 CO 0.54 0.47 -0.10 -0.60 -3.33 0.00 0.00 175.10 172.08 1o5u s ARG 83 N -1.28 1.02 0.04 1.54 3.52 -0.51 -1.39 118.95 121.90 1o5u s ARG 83 Ca 0.17 -0.34 -0.10 0.00 -0.13 0.00 0.00 55.73 55.32 1o5u s ARG 83 Cb -0.11 -0.95 0.01 0.00 -1.56 0.00 0.00 34.95 32.33 1o5u s ARG 83 CO 0.07 0.14 0.22 -1.59 -0.81 0.00 0.00 175.30 173.33 1o5u s LYS 84 N 0.12 0.71 0.06 5.12 -2.85 -0.24 -0.35 119.74 122.31 1o5u s LYS 84 Ca -0.02 -0.57 -0.12 0.00 -1.00 0.00 0.00 55.97 54.25 1o5u s LYS 84 Cb -0.08 0.30 -0.06 0.00 -2.06 0.00 0.00 37.83 35.93 1o5u s LYS 84 CO 0.00 -0.21 0.43 -1.01 0.10 0.00 0.00 175.35 174.67 1o5u s HIS 85 N -2.45 3.64 0.01 1.78 3.76 -0.48 -0.88 115.29 120.68 1o5u s HIS 85 Ca -0.06 0.92 -0.01 0.00 -0.15 0.00 0.00 55.06 55.76 1o5u s HIS 85 Cb -0.02 -2.25 -0.01 0.00 1.11 0.00 0.00 32.58 31.41 1o5u s HIS 85 CO -0.03 0.55 -0.00 1.52 -0.85 0.00 0.00 174.74 175.92 1o5u s TYR 86 N -1.30 0.18 -0.13 1.40 -0.85 -0.16 -0.87 117.35 115.63 1o5u s TYR 86 Ca 0.31 -0.38 -0.01 0.00 -0.52 0.00 0.00 57.07 56.46 1o5u s TYR 86 Cb -0.15 -0.14 0.04 0.00 0.38 0.00 0.00 41.96 42.09 1o5u s TYR 86 CO 0.17 -0.17 -0.01 1.21 -1.52 0.00 0.00 175.55 175.22 1o5u s ASN 87 N -1.20 2.24 0.09 -0.18 2.47 0.36 -3.73 114.94 115.00 1o5u s ASN 87 Ca -0.13 -0.41 -0.25 0.00 0.42 0.00 0.00 52.86 52.49 1o5u s ASN 87 Cb -0.08 -0.63 -0.06 0.00 -1.45 0.00 0.00 41.25 39.02 1o5u s ASN 87 CO -0.01 -0.21 0.76 -0.76 -3.72 0.00 0.00 177.10 173.17 1o5u s LEU 88 N 1.84 4.51 0.00 3.21 1.43 -1.26 -1.28 118.68 127.12 1o5u s LEU 88 Ca 0.03 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1o5u s LEU 88 Cb -0.14 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1o5u s LEU 88 CO -0.07 0.10 0.00 2.22 0.23 0.00 0.00 176.35 178.83