#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x47 s SER 2 N 0.00 -0.36 -0.19 1.61 1.04 -1.26 -5.19 113.70 109.36 1x47 s SER 2 Ca 0.00 -0.10 -0.36 0.00 0.48 0.00 0.00 55.95 55.97 1x47 s SER 2 Cb 0.00 0.46 0.15 0.00 0.10 0.00 0.00 66.02 66.73 1x47 s SER 2 CO 0.00 -0.77 1.38 -0.94 0.98 0.00 0.00 173.24 173.89 1x47 s SER 3 N -2.64 -0.03 0.00 7.02 1.04 -1.26 -5.15 113.70 112.69 1x47 s SER 3 Ca 0.06 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1x47 s SER 3 Cb -0.01 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1x47 s SER 3 CO -0.07 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1x47 n GLY 4 N -0.23 0.64 3.74 7.32 0.00 -1.26 -5.12 105.19 110.28 1x47 n GLY 4 Ca -0.02 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1x47 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x47 s SER 5 N 1.69 6.95 0.05 1.61 1.04 -1.26 -5.03 113.70 118.76 1x47 s SER 5 Ca 0.00 2.37 0.02 0.00 0.48 0.00 0.00 55.95 58.82 1x47 s SER 5 Cb 0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 1x47 s SER 5 CO 0.00 -0.48 -0.08 -0.44 0.98 0.00 0.00 173.24 173.22 1x47 s SER 6 N 0.21 0.94 0.00 7.02 0.01 -1.26 -5.07 113.70 115.55 1x47 s SER 6 Ca 0.55 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1x47 s SER 6 Cb -0.35 0.04 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1x47 s SER 6 CO 0.39 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1x47 n GLY 7 N 1.18 1.45 2.97 3.44 0.00 -1.26 -5.13 105.19 107.84 1x47 n GLY 7 Ca -0.21 -0.99 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 1x47 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x47 s GLU 8 N -1.91 0.42 -0.07 1.61 2.02 -1.26 -5.14 118.70 114.37 1x47 s GLU 8 Ca 0.00 0.51 -0.04 0.00 0.02 0.00 0.00 54.97 55.46 1x47 s GLU 8 Cb 0.00 -0.19 0.04 0.00 0.10 0.00 0.00 34.13 34.07 1x47 s GLU 8 CO 0.00 -0.78 0.17 0.12 0.02 0.00 0.00 175.26 174.79 1x47 s PHE 9 N 2.62 -0.20 -0.28 1.61 5.36 -1.26 -5.14 117.98 120.70 1x47 s PHE 9 Ca 0.13 0.53 -0.26 0.00 -0.96 0.00 0.00 56.93 56.37 1x47 s PHE 9 Cb -0.14 -0.04 0.17 0.00 -0.34 0.00 0.00 43.02 42.67 1x47 s PHE 9 CO -0.22 -0.17 1.27 0.54 -1.46 0.00 0.00 175.22 175.19 1x47 s VAL 10 N 1.04 0.00 0.24 3.12 0.11 -1.26 -5.09 120.40 118.56 1x47 s VAL 10 Ca -0.08 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1x47 s VAL 10 Cb -0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1x47 s VAL 10 CO -0.06 0.00 0.00 -0.38 -3.33 0.00 0.00 175.10 171.33 1x47 n ILE 11 N 1.46 0.00 -2.91 7.04 2.08 -1.26 -5.12 119.36 120.66 1x47 n ILE 11 Ca -0.09 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.21 1x47 n ILE 11 Cb 0.57 -0.30 -0.01 0.00 -0.75 0.00 0.00 39.64 39.15 1x47 n ILE 11 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1x47 n ASN 12 N -3.22 -6.06 -4.59 4.38 5.15 -1.26 -4.79 115.26 104.88 1x47 n ASN 12 Ca 0.00 1.02 -0.42 0.00 -0.60 0.00 0.00 54.58 54.58 1x47 n ASN 12 Cb 0.00 -3.50 -0.02 0.00 -0.53 0.00 0.00 39.78 35.73 1x47 n ASN 12 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1x47 s PRO 13 N -0.97 3.44 -0.31 1.20 0.04 -1.26 -4.86 135.00 132.28 1x47 s PRO 13 Ca -0.06 0.79 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 1x47 s PRO 13 Cb 0.00 -4.08 0.19 0.00 0.04 0.00 0.00 34.50 30.65 1x47 s PRO 13 CO 0.41 -1.74 1.06 1.21 0.04 0.00 0.00 177.00 177.98 1x47 s ASN 14 N 4.32 -0.33 0.39 6.66 3.84 -1.26 -5.15 114.94 123.41 1x47 s ASN 14 Ca 0.59 -0.08 0.00 0.00 0.21 0.00 0.00 52.86 53.58 1x47 s ASN 14 Cb -0.13 0.75 0.00 0.00 -0.55 0.00 0.00 41.25 41.32 1x47 s ASN 14 CO 0.30 -0.05 0.00 0.61 -2.79 0.00 0.00 177.10 175.17 1x47 n GLY 15 N 4.27 0.05 3.16 1.21 0.00 -1.26 -4.60 105.19 108.02 1x47 n GLY 15 Ca 0.07 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1x47 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x47 s LYS 16 N 0.00 2.89 0.51 1.61 1.02 -1.26 -5.06 119.74 119.45 1x47 s LYS 16 Ca 0.00 -0.92 0.09 0.00 0.02 0.00 0.00 55.97 55.16 1x47 s LYS 16 Cb 0.00 -2.78 0.06 0.00 -0.52 0.00 0.00 37.83 34.59 1x47 s LYS 16 CO 0.00 -0.31 0.71 -1.12 -0.92 0.00 0.00 175.35 173.71 1x47 s SER 17 N 1.29 5.32 0.14 2.83 0.01 -1.26 -4.77 113.70 117.26 1x47 s SER 17 Ca 0.02 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.32 1x47 s SER 17 Cb -0.15 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 1x47 s SER 17 CO -0.08 -1.12 1.56 -0.08 0.41 0.00 0.00 173.24 173.93 1x47 h GLU 18 N 0.35 -0.35 -0.74 12.44 4.57 -1.97 1.50 114.58 130.38 1x47 h GLU 18 Ca -0.34 0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.03 1x47 h GLU 18 Cb 1.28 0.08 -0.13 0.00 -0.16 0.00 0.00 28.75 29.82 1x47 h GLU 18 CO 0.43 -0.24 -0.03 -0.39 -1.18 0.00 0.00 179.01 177.60 1x47 h VAL 19 N -0.37 0.34 0.80 0.32 -1.51 -1.87 0.72 116.25 114.67 1x47 h VAL 19 Ca 0.11 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.51 1x47 h VAL 19 Cb 0.60 0.25 0.01 0.00 -2.13 0.00 0.00 31.29 30.01 1x47 h VAL 19 CO -0.58 0.01 -0.38 0.00 -1.23 0.00 0.00 177.57 175.39 1x47 h ILE 21 N -1.28 0.00 -0.99 0.00 2.04 0.34 0.85 117.51 118.46 1x47 h ILE 21 Ca -0.11 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.04 1x47 h ILE 21 Cb 0.82 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.72 1x47 h ILE 21 CO 0.18 0.00 0.07 0.25 0.00 0.00 0.00 178.15 178.65 1x47 h LEU 22 N -0.05 -0.41 0.22 1.44 7.12 0.36 0.94 115.31 124.92 1x47 h LEU 22 Ca 0.08 0.28 -0.01 0.00 0.13 0.00 0.00 57.88 58.36 1x47 h LEU 22 Cb 0.25 0.47 0.00 0.00 -0.53 0.00 0.00 40.66 40.86 1x47 h LEU 22 CO -0.47 -0.37 -0.10 -0.74 -0.13 0.00 0.00 178.44 176.63 1x47 h HIS 23 N 0.01 -0.27 0.00 1.25 2.76 0.11 -0.26 115.15 118.74 1x47 h HIS 23 Ca 0.62 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.79 1x47 h HIS 23 Cb 1.33 0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.38 1x47 h HIS 23 CO -0.46 -0.12 0.00 0.39 -1.30 0.00 0.00 177.93 176.44 1x47 n GLU 24 N -5.19 0.00 -0.32 5.26 -0.58 0.31 0.51 120.64 120.63 1x47 n GLU 24 Ca -0.09 0.66 0.19 0.00 -0.42 0.00 0.00 57.16 57.50 1x47 n GLU 24 Cb 0.16 -1.43 0.38 0.00 -0.57 0.00 0.00 31.44 29.98 1x47 n GLU 24 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1x47 h TYR 25 N 0.00 0.49 0.99 -0.32 5.03 -0.97 1.28 116.97 123.45 1x47 h TYR 25 Ca 0.00 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 1x47 h TYR 25 Cb 0.00 -0.06 0.01 0.00 1.55 0.00 0.00 36.73 38.23 1x47 h TYR 25 CO -0.26 -0.29 -0.47 0.52 -1.32 0.00 0.00 178.16 176.34 1x47 h MET 26 N 0.16 -1.28 0.00 1.82 2.86 -0.33 0.40 114.93 118.56 1x47 h MET 26 Ca 0.65 0.09 0.00 0.00 -2.06 0.00 0.00 59.70 58.38 1x47 h MET 26 Cb 1.45 0.29 0.00 0.00 0.06 0.00 0.00 31.60 33.40 1x47 h MET 26 CO -0.71 -0.85 0.00 0.94 1.06 0.00 0.00 176.91 177.35 1x47 n GLN 27 N -5.59 0.15 -0.05 1.72 -0.06 0.18 0.21 117.38 113.93 1x47 n GLN 27 Ca -0.16 0.18 -0.21 0.00 -2.00 0.00 0.00 57.00 54.81 1x47 n GLN 27 Cb 0.52 -1.50 -0.13 0.00 -4.06 0.00 0.00 30.24 25.08 1x47 n GLN 27 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1x47 h ARG 28 N 0.00 0.12 0.00 3.69 2.43 0.23 -3.20 114.38 117.64 1x47 h ARG 28 Ca 0.00 -0.20 -0.33 0.00 -0.81 0.00 0.00 59.98 58.64 1x47 h ARG 28 Cb 0.16 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 1x47 h ARG 28 CO 0.00 1.10 -1.99 1.33 -1.51 0.00 0.00 179.97 178.90 1x47 n VAL 29 N -4.10 1.52 -0.03 0.20 0.24 0.13 -4.61 118.33 111.69 1x47 n VAL 29 Ca -0.30 -0.21 -0.14 0.00 -2.04 0.00 0.00 64.34 61.66 1x47 n VAL 29 Cb 0.81 -2.01 -0.10 0.00 -1.47 0.00 0.00 33.84 31.06 1x47 n VAL 29 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1x47 h LEU 30 N -1.00 0.08 -1.02 1.34 3.38 0.22 -3.48 115.31 114.83 1x47 h LEU 30 Ca -0.49 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 56.85 1x47 h LEU 30 Cb 1.41 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1x47 h LEU 30 CO -0.30 0.69 0.00 1.17 0.09 0.00 0.00 178.44 180.09 1x47 n LYS 31 N -4.72 0.00 -3.85 1.13 4.81 0.32 -4.92 118.16 110.93 1x47 n LYS 31 Ca -0.09 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.24 1x47 n LYS 31 Cb 0.35 -2.32 -0.11 0.00 0.02 0.00 0.00 35.03 32.96 1x47 n LYS 31 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1x47 s VAL 32 N -2.92 0.04 -0.27 3.15 -7.23 -1.25 -4.89 120.40 107.03 1x47 s VAL 32 Ca 0.00 -0.36 -0.25 0.00 -1.81 0.00 0.00 61.98 59.56 1x47 s VAL 32 Cb 0.00 -0.32 -0.00 0.00 0.56 0.00 0.00 36.38 36.62 1x47 s VAL 32 CO 0.00 -0.20 0.85 -0.13 -0.31 0.00 0.00 175.10 175.31 1x47 s ARG 33 N -0.67 4.11 0.17 4.82 0.52 -1.26 -3.67 118.95 122.96 1x47 s ARG 33 Ca -0.08 0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 55.69 1x47 s ARG 33 Cb -0.05 -3.68 -0.07 0.00 0.52 0.00 0.00 34.95 31.67 1x47 s ARG 33 CO 0.01 -0.61 1.12 -1.25 0.02 0.00 0.00 175.30 174.59 1x47 s PRO 34 N 2.96 4.56 -0.15 3.54 0.04 -1.26 -4.58 135.00 140.12 1x47 s PRO 34 Ca 0.35 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 62.99 1x47 s PRO 34 Cb -0.15 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1x47 s PRO 34 CO 0.10 0.02 0.33 0.08 0.04 0.00 0.00 177.00 177.57 1x47 s VAL 35 N -0.10 5.28 -0.39 -0.36 1.01 0.12 -4.93 120.40 121.03 1x47 s VAL 35 Ca 0.51 0.63 -0.17 0.00 0.00 0.00 0.00 61.98 62.95 1x47 s VAL 35 Cb -0.30 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1x47 s VAL 35 CO 0.35 0.38 0.43 -0.31 0.00 0.00 0.00 175.10 175.95 1x47 s TYR 36 N 0.45 3.18 -0.03 5.22 1.51 -1.26 0.13 117.35 126.54 1x47 s TYR 36 Ca 0.18 -0.20 -0.15 0.00 -1.01 0.00 0.00 57.07 55.89 1x47 s TYR 36 Cb -0.13 -2.84 -0.05 0.00 -0.11 0.00 0.00 41.96 38.82 1x47 s TYR 36 CO 0.05 -0.61 0.42 -0.80 -1.11 0.00 0.00 175.55 173.50 1x47 s ASN 37 N 1.79 6.77 0.03 2.29 0.01 0.65 -4.89 114.94 121.59 1x47 s ASN 37 Ca 0.13 0.92 0.07 0.00 -0.71 0.00 0.00 52.86 53.27 1x47 s ASN 37 Cb -0.17 -2.25 -0.02 0.00 0.41 0.00 0.00 41.25 39.22 1x47 s ASN 37 CO 0.13 0.26 -0.21 -0.36 -1.51 0.00 0.00 177.10 175.41 1x47 s PHE 38 N -0.69 1.85 0.34 2.20 0.08 -1.26 0.19 117.98 120.68 1x47 s PHE 38 Ca 0.24 -0.37 0.07 0.00 0.12 0.00 0.00 56.93 56.98 1x47 s PHE 38 Cb -0.16 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1x47 s PHE 38 CO 0.12 0.07 0.26 -0.59 -0.10 0.00 0.00 175.22 174.98 1x47 s PHE 39 N -0.73 1.75 -0.09 0.36 -0.71 -1.08 -5.01 117.98 112.47 1x47 s PHE 39 Ca 0.08 -1.61 -0.00 0.00 -1.04 0.00 0.00 56.93 54.35 1x47 s PHE 39 Cb -0.09 -0.77 -0.03 0.00 -1.21 0.00 0.00 43.02 40.92 1x47 s PHE 39 CO 0.01 -0.79 -0.06 -1.21 -1.34 0.00 0.00 175.22 171.83 1x47 s GLU 40 N -3.49 2.95 0.04 1.99 2.02 -1.26 -3.91 118.70 117.04 1x47 s GLU 40 Ca 0.38 -0.54 0.06 0.00 0.02 0.00 0.00 54.97 54.90 1x47 s GLU 40 Cb 0.02 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 1x47 s GLU 40 CO 0.26 0.58 -0.15 0.00 0.02 0.00 0.00 175.26 175.96 1x47 n GLU 42 N 1.45 2.94 -4.36 0.00 1.02 -1.26 -4.63 120.64 115.79 1x47 n GLU 42 Ca -0.16 -3.70 -0.23 0.00 -0.02 0.00 0.00 57.16 53.06 1x47 n GLU 42 Cb 0.52 -2.27 -0.13 0.00 -0.02 0.00 0.00 31.44 29.54 1x47 n GLU 42 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x47 s ASN 43 N -1.96 2.21 -0.05 1.62 0.01 -1.26 -5.06 114.94 110.45 1x47 s ASN 43 Ca 0.55 -0.59 -0.25 0.00 -0.71 0.00 0.00 52.86 51.86 1x47 s ASN 43 Cb 0.45 -0.13 -0.23 0.00 0.41 0.00 0.00 41.25 41.75 1x47 s ASN 43 CO -0.23 0.05 1.06 1.55 -1.51 0.00 0.00 177.10 178.02 1x47 h PRO 44 N 4.46 0.15 -0.27 -0.60 0.13 -1.98 -2.10 132.00 131.79 1x47 h PRO 44 Ca -0.43 -0.14 0.06 0.00 -0.87 0.00 0.00 66.00 64.62 1x47 h PRO 44 Cb 1.18 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1x47 h PRO 44 CO 0.41 0.86 -0.39 0.77 -0.23 0.00 0.00 178.00 179.42 1x47 h SER 45 N -0.51 -1.26 -2.78 1.44 0.02 -1.98 -3.35 113.55 105.11 1x47 h SER 45 Ca -0.02 0.19 -0.58 0.00 -0.84 0.00 0.00 61.79 60.54 1x47 h SER 45 Cb 0.91 0.54 -0.39 0.00 0.14 0.00 0.00 62.40 63.60 1x47 h SER 45 CO 0.04 -0.38 -0.82 -1.61 -1.14 0.00 0.00 176.83 172.92 1x47 s GLU 46 N -5.91 0.61 0.43 3.45 8.01 -1.25 -4.43 118.70 119.61 1x47 s GLU 46 Ca -0.15 -1.29 0.24 0.00 0.01 0.00 0.00 54.97 53.78 1x47 s GLU 46 Cb 0.11 -1.47 0.71 0.00 -4.31 0.00 0.00 34.13 29.18 1x47 s GLU 46 CO 0.65 -1.16 1.74 -1.00 0.01 0.00 0.00 175.26 175.50 1x47 h PRO 47 N 7.24 0.00 -7.14 0.39 0.13 -1.52 -3.39 132.00 127.71 1x47 h PRO 47 Ca -0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 1x47 h PRO 47 Cb 0.97 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.18 1x47 h PRO 47 CO 0.33 0.17 0.12 -0.06 -0.23 0.00 0.00 178.00 178.33 1x47 s PHE 48 N -3.42 2.09 0.00 1.56 0.40 -1.24 -0.93 117.98 116.44 1x47 s PHE 48 Ca 0.03 -0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 1x47 s PHE 48 Cb 0.08 -3.06 0.00 0.00 0.51 0.00 0.00 43.02 40.55 1x47 s PHE 48 CO 0.64 -1.55 0.00 0.41 0.70 0.00 0.00 175.22 175.43 1x47 n GLY 49 N -2.81 1.19 3.24 4.36 0.00 -1.25 -3.95 105.19 105.97 1x47 n GLY 49 Ca 0.12 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1x47 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x47 s ALA 50 N -1.59 -0.53 0.10 4.61 0.00 -0.44 -2.65 121.76 121.27 1x47 s ALA 50 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.67 1x47 s ALA 50 Cb 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1x47 s ALA 50 CO 0.00 -0.51 0.01 -1.54 0.00 0.00 0.00 175.76 173.72 1x47 s SER 51 N -2.59 0.54 -0.34 0.00 1.04 0.50 -1.48 113.70 111.37 1x47 s SER 51 Ca 0.01 -1.11 0.01 0.00 0.48 0.00 0.00 55.95 55.34 1x47 s SER 51 Cb 0.02 0.23 0.09 0.00 0.10 0.00 0.00 66.02 66.45 1x47 s SER 51 CO -0.09 -0.64 0.05 -0.69 0.98 0.00 0.00 173.24 172.85 1x47 s VAL 52 N -3.93 2.63 -0.25 5.02 1.01 0.32 -0.25 120.40 124.95 1x47 s VAL 52 Ca 0.17 -1.98 -0.13 0.00 0.00 0.00 0.00 61.98 60.04 1x47 s VAL 52 Cb 0.07 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1x47 s VAL 52 CO -0.03 -0.43 0.30 0.42 0.00 0.00 0.00 175.10 175.36 1x47 s THR 53 N 1.06 5.24 -0.50 3.92 -4.23 0.34 -1.29 115.64 120.18 1x47 s THR 53 Ca 0.04 0.44 -0.17 0.00 -1.18 0.00 0.00 61.69 60.82 1x47 s THR 53 Cb -0.20 -3.63 0.07 0.00 1.34 0.00 0.00 72.50 70.07 1x47 s THR 53 CO -0.05 0.23 0.53 -0.63 -0.54 0.00 0.00 174.62 174.15 1x47 s ILE 54 N 1.69 5.04 -1.30 2.99 1.01 0.50 0.15 121.20 131.29 1x47 s ILE 54 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1x47 s ILE 54 Cb -0.15 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.08 1x47 s ILE 54 CO 0.09 -0.73 0.00 -0.67 0.00 0.00 0.00 174.94 173.63 1x47 n ASP 55 N 5.73 -5.28 0.00 3.58 2.03 -1.26 -1.20 116.55 120.15 1x47 n ASP 55 Ca -0.10 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1x47 n ASP 55 Cb 0.44 -3.85 0.00 0.00 -0.72 0.00 0.00 41.12 36.99 1x47 n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x47 n GLY 56 N -0.41 2.04 3.68 0.27 0.00 -1.26 -5.06 105.19 104.44 1x47 n GLY 56 Ca -0.12 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1x47 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x47 s VAL 57 N -0.86 3.76 0.34 1.61 1.01 -0.34 -4.87 120.40 121.06 1x47 s VAL 57 Ca 0.00 1.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.79 1x47 s VAL 57 Cb 0.00 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 1x47 s VAL 57 CO 0.00 -0.03 1.06 -0.89 0.00 0.00 0.00 175.10 175.23 1x47 s THR 58 N 2.87 3.68 0.00 3.92 2.01 -1.26 0.19 115.64 127.05 1x47 s THR 58 Ca 0.64 1.45 0.00 0.00 0.31 0.00 0.00 61.69 64.10 1x47 s THR 58 Cb -0.30 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.37 1x47 s THR 58 CO 0.25 0.17 0.00 -1.22 -0.69 0.00 0.00 174.62 173.13 1x47 n TYR 59 N 0.50 0.00 -3.31 4.92 4.02 -0.41 -4.87 117.16 118.01 1x47 n TYR 59 Ca 0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.53 1x47 n TYR 59 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.74 1x47 n TYR 59 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x47 s GLY 60 N -1.42 2.44 -0.11 2.72 0.00 -1.24 -4.82 107.32 104.89 1x47 s GLY 60 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 44.72 44.43 1x47 s GLY 60 CO 0.00 0.73 0.37 -0.56 0.00 0.00 0.00 173.10 173.64 1x47 s SER 61 N 0.38 -0.35 0.09 1.64 0.01 -1.26 0.12 113.70 114.33 1x47 s SER 61 Ca 0.27 0.60 -0.26 0.00 1.31 0.00 0.00 55.95 57.86 1x47 s SER 61 Cb -0.16 0.65 0.09 0.00 0.21 0.00 0.00 66.02 66.82 1x47 s SER 61 CO 0.12 -0.22 1.13 -0.83 0.41 0.00 0.00 173.24 173.84 1x47 s GLY 62 N -0.21 -0.16 0.36 3.44 0.00 -0.55 -4.77 107.32 105.42 1x47 s GLY 62 Ca -0.04 0.13 0.04 0.00 0.00 0.00 0.00 44.72 44.86 1x47 s GLY 62 CO 0.02 1.65 0.05 -0.51 0.00 0.00 0.00 173.10 174.30 1x47 s THR 63 N -2.51 1.35 0.21 0.90 -4.23 -1.26 -1.32 115.64 108.78 1x47 s THR 63 Ca 0.18 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.48 1x47 s THR 63 Cb 0.00 -2.79 0.07 0.00 1.34 0.00 0.00 72.50 71.13 1x47 s THR 63 CO 0.01 0.00 1.00 0.00 -0.54 0.00 0.00 174.62 175.09 1x47 s ALA 64 N -3.12 -1.48 0.24 3.99 0.00 -1.25 -4.63 121.76 115.50 1x47 s ALA 64 Ca 0.34 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.93 1x47 s ALA 64 Cb 0.08 0.75 0.28 0.00 0.00 0.00 0.00 23.12 24.23 1x47 s ALA 64 CO 0.15 -1.05 1.60 0.77 0.00 0.00 0.00 175.76 177.23 1x47 h SER 65 N 2.00 0.42 -1.66 0.00 0.02 -1.93 -3.30 113.55 109.10 1x47 h SER 65 Ca -0.28 -0.20 -0.58 0.00 -0.84 0.00 0.00 61.79 59.89 1x47 h SER 65 Cb 1.22 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 63.55 1x47 h SER 65 CO 0.36 0.84 -0.53 -0.55 -1.14 0.00 0.00 176.83 175.81 1x47 s SER 66 N -6.88 4.32 -0.02 3.07 0.15 -1.26 -4.78 113.70 108.30 1x47 s SER 66 Ca -0.06 -1.10 -0.26 0.00 0.70 0.00 0.00 55.95 55.24 1x47 s SER 66 Cb 0.12 -0.49 -0.20 0.00 -1.71 0.00 0.00 66.02 63.75 1x47 s SER 66 CO 0.80 -0.48 1.29 0.50 1.20 0.00 0.00 173.24 176.56 1x47 h LYS 67 N 1.54 0.00 -0.06 5.44 3.64 -1.99 -2.85 116.57 122.29 1x47 h LYS 67 Ca -0.43 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.97 1x47 h LYS 67 Cb 1.25 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 1x47 h LYS 67 CO 0.71 0.47 -0.35 -0.22 -2.27 0.00 0.00 179.45 177.79 1x47 h LYS 68 N -0.47 -0.38 -0.99 1.90 3.64 -1.98 0.17 116.57 118.46 1x47 h LYS 68 Ca 0.00 0.03 0.24 0.00 -1.27 0.00 0.00 60.65 59.65 1x47 h LYS 68 Cb 0.47 0.09 -0.19 0.00 -0.41 0.00 0.00 32.23 32.19 1x47 h LYS 68 CO 0.00 -0.26 -0.10 -0.07 -2.27 0.00 0.00 179.45 176.75 1x47 h LEU 69 N -0.40 -0.69 0.15 5.20 -0.00 -1.97 1.68 115.31 119.28 1x47 h LEU 69 Ca 0.02 0.29 0.01 0.00 -0.00 0.00 0.00 57.88 58.20 1x47 h LEU 69 Cb 0.45 0.55 -0.03 0.00 -0.00 0.00 0.00 40.66 41.64 1x47 h LEU 69 CO -0.27 -0.35 -0.23 0.00 -0.00 0.00 0.00 178.44 177.60 1x47 h ALA 70 N 1.99 -0.41 -0.47 1.53 0.00 -0.79 0.43 119.26 121.55 1x47 h ALA 70 Ca 0.54 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.42 1x47 h ALA 70 Cb 1.00 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1x47 h ALA 70 CO -0.97 -0.77 0.29 -0.22 0.00 0.00 0.00 179.25 177.58 1x47 h LYS 71 N -0.44 0.57 -0.79 0.00 3.64 0.35 0.56 116.57 120.45 1x47 h LYS 71 Ca 0.02 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1x47 h LYS 71 Cb 0.44 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 1x47 h LYS 71 CO -0.10 0.38 0.44 -0.97 -2.27 0.00 0.00 179.45 176.92 1x47 h ASN 72 N 0.59 0.62 -0.03 4.20 -1.24 0.26 0.26 115.58 120.24 1x47 h ASN 72 Ca 0.18 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 1x47 h ASN 72 Cb -0.02 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 1x47 h ASN 72 CO -0.07 0.35 -0.02 0.11 -1.29 0.00 0.00 177.43 176.52 1x47 h LYS 73 N 0.74 0.06 -0.63 6.67 1.57 0.81 1.01 116.57 126.80 1x47 h LYS 73 Ca 0.38 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.27 1x47 h LYS 73 Cb 0.36 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.57 1x47 h LYS 73 CO -0.25 0.48 0.05 0.00 -0.57 0.00 0.00 179.45 179.16 1x47 h ALA 74 N 0.58 0.67 0.20 3.86 0.00 0.91 0.54 119.26 126.02 1x47 h ALA 74 Ca 0.01 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1x47 h ALA 74 Cb 0.47 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1x47 h ALA 74 CO 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 179.25 178.79 1x47 h ALA 75 N 1.56 -0.27 -1.02 0.00 0.00 -0.44 -2.50 119.26 116.60 1x47 h ALA 75 Ca 0.34 -0.20 0.38 0.00 0.00 0.00 0.00 54.91 55.42 1x47 h ALA 75 Cb 0.55 0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.27 1x47 h ALA 75 CO -0.51 -0.33 0.57 -0.09 0.00 0.00 0.00 179.25 178.89 1x47 h ARG 76 N -0.91 0.15 0.45 0.00 2.43 0.17 0.40 114.38 117.06 1x47 h ARG 76 Ca -0.03 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1x47 h ARG 76 Cb 0.49 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1x47 h ARG 76 CO 0.04 0.10 -0.22 0.00 -1.51 0.00 0.00 179.97 178.39 1x47 h ALA 77 N 1.91 -0.61 -0.91 2.80 0.00 0.06 -2.46 119.26 120.06 1x47 h ALA 77 Ca 0.80 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.77 1x47 h ALA 77 Cb 2.01 0.23 -0.14 0.00 0.00 0.00 0.00 17.79 19.89 1x47 h ALA 77 CO -0.68 -0.65 0.36 1.15 0.00 0.00 0.00 179.25 179.43 1x47 h THR 78 N -0.98 0.37 0.46 0.00 2.02 0.11 0.17 112.91 115.05 1x47 h THR 78 Ca -0.06 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1x47 h THR 78 Cb 0.57 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1x47 h THR 78 CO 0.10 0.05 -0.35 -0.07 0.37 0.00 0.00 175.52 175.63 1x47 h LEU 79 N 0.30 -0.90 -0.43 2.58 3.38 -0.63 -1.57 115.31 118.04 1x47 h LEU 79 Ca 0.60 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.72 1x47 h LEU 79 Cb 1.22 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 42.18 1x47 h LEU 79 CO -0.60 -0.51 -0.06 -0.33 0.09 0.00 0.00 178.44 177.02 1x47 h GLU 80 N -0.79 0.04 -0.47 1.13 5.08 -0.32 1.28 114.58 120.53 1x47 h GLU 80 Ca -0.05 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1x47 h GLU 80 Cb 0.67 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.82 1x47 h GLU 80 CO 0.00 0.03 -0.43 0.82 -1.00 0.00 0.00 179.01 178.44 1x47 h ILE 81 N 0.04 0.11 0.40 3.13 2.04 -0.45 -2.81 117.51 119.97 1x47 h ILE 81 Ca 0.21 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.05 1x47 h ILE 81 Cb 0.32 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1x47 h ILE 81 CO -0.41 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.48 1x47 h LEU 82 N -0.29 -0.45 -8.74 1.44 3.38 -0.34 -3.41 115.31 106.91 1x47 h LEU 82 Ca 0.15 0.02 -0.62 0.00 0.09 0.00 0.00 57.88 57.52 1x47 h LEU 82 Cb 0.57 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.31 1x47 h LEU 82 CO -0.61 -0.21 0.27 -0.63 0.09 0.00 0.00 178.44 177.35 1x47 s ILE 83 N -3.55 4.78 0.20 1.22 1.01 0.43 -4.91 121.20 120.38 1x47 s ILE 83 Ca -0.08 0.63 0.10 0.00 0.00 0.00 0.00 60.65 61.30 1x47 s ILE 83 Cb 0.01 -4.19 -0.07 0.00 0.01 0.00 0.00 42.46 38.22 1x47 s ILE 83 CO 0.23 -0.46 1.51 1.55 0.00 0.00 0.00 174.94 177.77 1x47 h PRO 84 N 8.61 0.00 -2.37 2.79 0.13 -1.78 -3.32 132.00 136.06 1x47 h PRO 84 Ca -0.25 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.28 1x47 h PRO 84 Cb 1.10 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.81 1x47 h PRO 84 CO 0.89 0.72 -0.63 -0.25 -0.23 0.00 0.00 178.00 178.51 1x47 n ASP 85 N -3.62 3.30 -0.11 1.44 8.00 -1.26 -4.85 116.55 119.44 1x47 n ASP 85 Ca -0.01 -3.33 -0.24 0.00 0.71 0.00 0.00 54.79 51.93 1x47 n ASP 85 Cb 0.72 -0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 41.02 1x47 n ASP 85 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1x47 n PHE 86 N 1.16 0.79 -2.27 1.24 7.35 -1.26 -4.97 117.46 119.50 1x47 n PHE 86 Ca 0.27 0.33 -0.25 0.00 -0.76 0.00 0.00 57.45 57.04 1x47 n PHE 86 Cb 0.41 -1.08 0.09 0.00 0.35 0.00 0.00 39.48 39.24 1x47 n PHE 86 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x47 s VAL 87 N -2.41 2.26 0.36 -2.13 -7.23 -1.26 -5.02 120.40 104.96 1x47 s VAL 87 Ca -0.31 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 1x47 s VAL 87 Cb 0.08 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1x47 s VAL 87 CO 0.58 0.00 0.00 1.17 -0.31 0.00 0.00 175.10 176.54 1x47 n LYS 88 N -2.95 0.00 -2.90 4.82 4.81 -1.26 -4.99 118.16 115.69 1x47 n LYS 88 Ca 0.10 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.10 1x47 n LYS 88 Cb 0.60 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.65 1x47 n LYS 88 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1x47 n GLN 89 N -3.45 3.47 -0.86 1.64 7.27 -1.26 -5.01 117.38 119.18 1x47 n GLN 89 Ca 0.00 -3.91 -0.31 0.00 0.07 0.00 0.00 57.00 52.85 1x47 n GLN 89 Cb 0.00 -2.94 0.15 0.00 2.41 0.00 0.00 30.24 29.86 1x47 n GLN 89 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1x47 s THR 90 N 0.83 2.24 0.15 1.69 -1.32 -1.26 -4.98 115.64 112.99 1x47 s THR 90 Ca 0.40 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.97 1x47 s THR 90 Cb -0.01 -2.24 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 1x47 s THR 90 CO -0.00 -0.10 0.00 -0.24 -2.21 0.00 0.00 174.62 172.07 1x47 n SER 91 N -3.94 0.36 -4.55 8.08 2.88 -1.26 -5.01 113.62 110.17 1x47 n SER 91 Ca 0.12 0.25 -0.43 0.00 -1.33 0.00 0.00 58.87 57.48 1x47 n SER 91 Cb 0.52 0.03 -0.04 0.00 -0.75 0.00 0.00 64.21 63.97 1x47 n SER 91 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1x47 s GLU 92 N -2.00 3.47 -0.22 -1.46 2.02 -1.26 -5.02 118.70 114.23 1x47 s GLU 92 Ca 0.00 0.03 -0.08 0.00 0.02 0.00 0.00 54.97 54.94 1x47 s GLU 92 Cb 0.00 -3.95 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 1x47 s GLU 92 CO 0.00 -1.24 0.09 0.45 0.02 0.00 0.00 175.26 174.59 1x47 s SER 93 N 2.32 5.58 0.00 -0.19 0.15 -1.26 -4.96 113.70 115.34 1x47 s SER 93 Ca 0.34 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1x47 s SER 93 Cb -0.11 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1x47 s SER 93 CO 0.24 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.36 1x47 n GLY 94 N 4.26 -1.41 3.82 9.45 0.00 -1.26 -5.00 105.19 115.05 1x47 n GLY 94 Ca -0.16 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1x47 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x47 s PRO 95 N -3.91 2.98 -0.06 1.61 0.04 -1.26 -5.01 135.00 129.39 1x47 s PRO 95 Ca 0.00 0.97 -0.18 0.00 0.04 0.00 0.00 61.00 61.84 1x47 s PRO 95 Cb 0.00 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 1x47 s PRO 95 CO 0.00 -1.07 0.71 0.77 0.04 0.00 0.00 177.00 177.45 1x47 h SER 96 N -0.61 -0.22 -3.24 6.66 0.02 -2.01 -3.44 113.55 110.70 1x47 h SER 96 Ca -0.44 -0.26 -0.44 0.00 -0.84 0.00 0.00 61.79 59.82 1x47 h SER 96 Cb 1.21 0.06 -0.39 0.00 0.14 0.00 0.00 62.40 63.42 1x47 h SER 96 CO 0.57 0.32 -0.76 -0.55 -1.14 0.00 0.00 176.83 175.27 1x47 s SER 97 N -5.39 1.80 0.00 3.07 0.15 -1.26 -5.29 113.70 106.78 1x47 s SER 97 Ca -0.10 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1x47 s SER 97 Cb 0.00 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 1x47 s SER 97 CO 0.37 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.18