#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h91 s ILE 3 N 0.00 0.45 0.60 0.58 -4.36 -1.26 -5.14 121.20 112.07 1h91 s ILE 3 Ca 0.00 -1.87 -0.19 0.00 -0.26 0.00 0.00 60.65 58.33 1h91 s ILE 3 Cb 0.00 -1.60 -0.03 0.00 1.25 0.00 0.00 42.46 42.08 1h91 s ILE 3 CO 0.00 -0.94 1.29 -2.84 0.24 0.00 0.00 174.94 172.69 1h91 s PRO 4 N -3.87 2.85 0.00 0.37 0.02 -1.26 -4.89 135.00 128.22 1h91 s PRO 4 Ca 0.09 2.06 0.15 0.00 0.02 0.00 0.00 61.00 63.32 1h91 s PRO 4 Cb 0.07 -2.00 0.78 0.00 0.02 0.00 0.00 34.50 33.36 1h91 s PRO 4 CO -0.07 -1.37 1.41 0.27 -0.33 0.00 0.00 177.00 176.90 1h91 n ASN 5 N -1.54 0.00 -1.16 2.53 0.23 -1.26 -1.98 115.26 112.08 1h91 n ASN 5 Ca 0.14 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.30 1h91 n ASN 5 Cb 0.47 -0.25 0.23 0.00 -2.08 0.00 0.00 39.78 38.16 1h91 n ASN 5 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1h91 n PHE 6 N -1.25 0.59 -3.60 -2.53 1.16 -1.26 -4.76 117.46 105.80 1h91 n PHE 6 Ca 0.08 -0.31 -0.40 0.00 -1.87 0.00 0.00 57.45 54.94 1h91 n PHE 6 Cb 0.11 -0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 37.87 1h91 n PHE 6 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1h91 s VAL 7 N -1.34 4.46 -0.07 1.97 1.01 -0.84 -3.40 120.40 122.20 1h91 s VAL 7 Ca 0.39 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1h91 s VAL 7 Cb 0.22 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 1h91 s VAL 7 CO 0.31 -0.30 -0.22 -0.69 0.00 0.00 0.00 175.10 174.20 1h91 s VAL 8 N 1.52 1.83 0.70 2.92 1.01 -0.08 -4.81 120.40 123.49 1h91 s VAL 8 Ca 0.02 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1h91 s VAL 8 Cb -0.20 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1h91 s VAL 8 CO 0.05 0.51 1.26 -2.84 0.00 0.00 0.00 175.10 174.09 1h91 s PRO 9 N 0.12 2.27 0.30 2.72 0.02 -1.26 -0.87 135.00 138.30 1h91 s PRO 9 Ca -0.10 1.96 0.00 0.00 0.02 0.00 0.00 61.00 62.88 1h91 s PRO 9 Cb -0.15 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1h91 s PRO 9 CO 0.05 -1.78 0.00 0.41 -0.33 0.00 0.00 177.00 175.35 1h91 n GLY 10 N 0.75 -2.41 3.93 0.52 0.00 -0.16 -4.71 105.19 103.12 1h91 n GLY 10 Ca 0.15 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 1h91 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h91 s LYS 11 N -0.34 3.50 0.40 1.61 -2.85 -1.26 -2.40 119.74 118.39 1h91 s LYS 11 Ca 0.00 -0.23 -0.27 0.00 -1.00 0.00 0.00 55.97 54.47 1h91 s LYS 11 Cb 0.00 -2.61 -0.10 0.00 -2.06 0.00 0.00 37.83 33.06 1h91 s LYS 11 CO 0.00 0.09 1.42 0.00 0.10 0.00 0.00 175.35 176.95 1h91 s ALA 13 N -1.15 2.86 0.06 0.00 0.00 -1.26 -5.02 121.76 117.25 1h91 s ALA 13 Ca 0.57 0.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 1h91 s ALA 13 Cb -0.49 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.40 1h91 s ALA 13 CO 0.61 -0.72 1.30 -1.12 0.00 0.00 0.00 175.76 175.84 1h91 s SER 14 N -3.19 6.95 -0.00 0.00 0.01 -1.26 -4.95 113.70 111.25 1h91 s SER 14 Ca 0.60 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.99 1h91 s SER 14 Cb -0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1h91 s SER 14 CO 0.40 -0.59 0.92 1.33 0.41 0.00 0.00 173.24 175.72 1h91 n VAL 15 N 4.13 0.85 -3.35 3.43 0.24 -1.26 -4.98 118.33 117.39 1h91 n VAL 15 Ca 0.11 -0.85 -0.25 0.00 -2.04 0.00 0.00 64.34 61.30 1h91 n VAL 15 Cb 0.44 0.57 0.02 0.00 -1.47 0.00 0.00 33.84 33.41 1h91 n VAL 15 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1h91 n ASP 16 N -0.43 -6.22 0.02 -1.34 4.64 -1.26 -4.98 116.55 106.98 1h91 n ASP 16 Ca 0.00 -0.12 -0.07 0.00 -1.38 0.00 0.00 54.79 53.23 1h91 n ASP 16 Cb 0.29 -2.95 0.12 0.00 -1.04 0.00 0.00 41.12 37.54 1h91 n ASP 16 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 1h91 h ARG 17 N 1.50 0.47 -0.40 -0.67 3.08 -1.96 -3.23 114.38 113.17 1h91 h ARG 17 Ca -0.38 -0.26 0.08 0.00 0.07 0.00 0.00 59.98 59.49 1h91 h ARG 17 Cb 1.27 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 31.25 1h91 h ARG 17 CO 0.25 0.84 -0.18 -0.97 -1.07 0.00 0.00 179.97 178.84 1h91 h ASN 18 N 0.38 -0.63 -0.37 7.04 -0.73 -1.95 0.12 115.58 119.44 1h91 h ASN 18 Ca 0.02 0.15 -0.04 0.00 1.87 0.00 0.00 56.30 58.31 1h91 h ASN 18 Cb 0.96 0.35 -0.01 0.00 0.27 0.00 0.00 38.32 39.88 1h91 h ASN 18 CO 0.08 -0.22 0.08 0.11 -0.37 0.00 0.00 177.43 177.12 1h91 h LYS 19 N -0.11 0.59 -0.32 6.67 1.57 -1.97 -2.54 116.57 120.46 1h91 h LYS 19 Ca 0.20 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 1h91 h LYS 19 Cb 0.41 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1h91 h LYS 19 CO -0.47 0.64 -0.38 -0.07 -0.57 0.00 0.00 179.45 178.60 1h91 h LEU 20 N 0.45 0.81 -0.36 2.94 3.38 -1.48 -2.12 115.31 118.93 1h91 h LEU 20 Ca 0.11 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1h91 h LEU 20 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1h91 h LEU 20 CO 0.00 1.10 0.17 -0.25 0.09 0.00 0.00 178.44 179.55 1h91 h TRP 21 N 0.63 0.52 -0.29 1.13 2.91 -0.67 -2.09 115.95 118.09 1h91 h TRP 21 Ca 0.06 -0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.95 1h91 h TRP 21 Cb 0.93 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.41 1h91 h TRP 21 CO 0.05 0.45 -0.25 0.00 -1.03 0.00 0.00 178.44 177.65 1h91 h ALA 22 N 1.02 1.03 -0.48 2.65 0.00 -1.35 -1.09 119.26 121.04 1h91 h ALA 22 Ca 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1h91 h ALA 22 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1h91 h ALA 22 CO -0.02 0.58 0.20 0.93 0.00 0.00 0.00 179.25 180.95 1h91 h GLU 23 N 0.49 0.68 0.00 0.00 5.08 -1.14 -3.34 114.58 116.35 1h91 h GLU 23 Ca 0.07 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1h91 h GLU 23 Cb 0.70 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1h91 h GLU 23 CO 0.05 0.55 -1.76 1.04 -1.00 0.00 0.00 179.01 177.90 1h91 n GLN 24 N -4.36 0.64 0.04 2.33 6.02 -0.81 -4.38 117.38 116.86 1h91 n GLN 24 Ca 0.04 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1h91 n GLN 24 Cb 0.14 -1.68 0.31 0.00 1.02 0.00 0.00 30.24 30.03 1h91 n GLN 24 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1h91 h THR 25 N 0.00 1.20 0.00 5.09 1.35 -1.33 -1.66 112.91 117.56 1h91 h THR 25 Ca -0.23 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1h91 h THR 25 Cb 1.64 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1h91 h THR 25 CO 0.03 0.28 0.00 -2.65 -0.25 0.00 0.00 175.52 172.93 1h91 n PRO 26 N -4.26 0.00 -0.29 4.72 -0.02 -1.26 -3.87 135.00 130.03 1h91 n PRO 26 Ca 0.01 0.20 0.07 0.00 -2.02 0.00 0.00 63.50 61.75 1h91 n PRO 26 Cb 0.27 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.45 1h91 n PRO 26 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1h91 n ASN 27 N -1.50 3.34 -0.34 2.55 3.02 -0.62 -4.75 115.26 116.96 1h91 n ASN 27 Ca 0.04 -2.40 0.08 0.00 -0.03 0.00 0.00 54.58 52.27 1h91 n ASN 27 Cb 0.20 -0.36 0.27 0.00 -0.61 0.00 0.00 39.78 39.29 1h91 n ASN 27 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1h91 h ARG 28 N 1.98 0.90 0.00 3.52 2.47 -1.66 -1.16 114.38 120.43 1h91 h ARG 28 Ca 0.00 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.57 1h91 h ARG 28 Cb 1.02 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 29.13 1h91 h ARG 28 CO 0.09 0.59 -0.47 -0.91 0.56 0.00 0.00 179.97 179.84 1h91 h ASN 29 N 0.93 0.00 0.87 7.04 4.21 -1.93 -1.83 115.58 124.88 1h91 h ASN 29 Ca 0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.99 1h91 h ASN 29 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1h91 h ASN 29 CO -0.25 0.47 0.00 -1.20 -1.29 0.00 0.00 177.43 175.16 1h91 n SER 30 N -3.91 0.68 0.02 5.81 7.64 -0.45 -2.64 113.62 120.77 1h91 n SER 30 Ca -0.01 0.64 0.12 0.00 1.01 0.00 0.00 58.87 60.63 1h91 n SER 30 Cb 0.50 -0.80 0.12 0.00 -1.01 0.00 0.00 64.21 63.02 1h91 n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h91 n TYR 31 N -2.23 0.22 -1.46 1.43 9.36 -0.70 -4.82 117.16 118.96 1h91 n TYR 31 Ca 0.03 0.06 -0.30 0.00 3.32 0.00 0.00 57.90 61.01 1h91 n TYR 31 Cb 0.27 -0.39 0.21 0.00 -0.63 0.00 0.00 39.34 38.80 1h91 n TYR 31 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1h91 s ALA 32 N -3.11 1.35 0.00 2.98 0.00 -1.08 -4.90 121.76 117.00 1h91 s ALA 32 Ca 0.07 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1h91 s ALA 32 Cb 0.15 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1h91 s ALA 32 CO 0.76 -3.04 0.00 0.41 0.00 0.00 0.00 175.76 173.89 1h91 n GLY 33 N -2.19 -1.20 3.73 0.00 0.00 -0.26 -4.91 105.19 100.37 1h91 n GLY 33 Ca 0.14 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 1h91 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h91 s VAL 34 N 0.00 5.25 -0.05 1.61 1.01 -1.26 -0.73 120.40 126.23 1h91 s VAL 34 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1h91 s VAL 34 Cb 0.00 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 1h91 s VAL 34 CO 0.00 0.48 -0.17 0.26 0.00 0.00 0.00 175.10 175.67 1h91 s TRP 35 N 0.09 1.74 -0.14 5.22 0.52 -0.24 -4.70 118.94 121.43 1h91 s TRP 35 Ca 0.08 -0.51 -0.06 0.00 0.02 0.00 0.00 56.10 55.62 1h91 s TRP 35 Cb -0.11 -1.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.99 1h91 s TRP 35 CO -0.00 -0.18 0.09 0.71 0.02 0.00 0.00 176.95 177.58 1h91 s TYR 36 N 0.07 3.39 -0.46 -1.98 1.51 0.01 -0.80 117.35 119.10 1h91 s TYR 36 Ca -0.05 0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 56.04 1h91 s TYR 36 Cb -0.12 -1.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.78 1h91 s TYR 36 CO 0.02 0.47 1.27 -1.14 -1.11 0.00 0.00 175.55 175.07 1h91 s GLN 37 N -0.46 3.63 0.04 -0.62 0.74 -0.89 -1.20 119.66 120.90 1h91 s GLN 37 Ca 0.11 0.71 -0.16 0.00 0.05 0.00 0.00 55.36 56.07 1h91 s GLN 37 Cb -0.12 -3.97 -0.29 0.00 1.10 0.00 0.00 33.01 29.73 1h91 s GLN 37 CO 0.02 -1.50 1.08 0.35 -0.55 0.00 0.00 175.29 174.69 1h91 h PHE 38 N 9.97 0.92 -2.71 1.67 3.57 -1.24 -3.42 116.94 125.70 1h91 h PHE 38 Ca -0.25 -0.58 -0.00 0.00 3.53 0.00 0.00 57.97 60.67 1h91 h PHE 38 Cb 1.08 -0.08 -0.14 0.00 2.79 0.00 0.00 35.95 39.61 1h91 h PHE 38 CO 0.98 1.42 0.26 0.00 -2.23 0.00 0.00 178.31 178.74 1h91 s ALA 39 N -2.96 -1.67 0.07 2.41 0.00 -1.12 -1.66 121.76 116.83 1h91 s ALA 39 Ca -0.10 0.71 -0.18 0.00 0.00 0.00 0.00 51.96 52.39 1h91 s ALA 39 Cb 0.05 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.86 1h91 s ALA 39 CO 0.91 -0.69 0.42 -0.48 0.00 0.00 0.00 175.76 175.92 1h91 s LEU 40 N -2.45 0.33 0.50 0.00 2.34 -0.67 -1.30 118.68 117.43 1h91 s LEU 40 Ca -0.00 -0.08 -0.16 0.00 0.06 0.00 0.00 54.13 53.95 1h91 s LEU 40 Cb -0.01 1.83 -0.08 0.00 -0.56 0.00 0.00 46.19 47.38 1h91 s LEU 40 CO -0.09 -0.74 0.95 0.42 -1.06 0.00 0.00 176.35 175.84 1h91 s THR 41 N -2.93 4.57 -0.45 5.48 -4.23 -0.73 -1.80 115.64 115.55 1h91 s THR 41 Ca -0.02 1.14 -0.45 0.00 -1.18 0.00 0.00 61.69 61.17 1h91 s THR 41 Cb 0.00 -3.72 -0.19 0.00 1.34 0.00 0.00 72.50 69.93 1h91 s THR 41 CO -0.06 -0.66 1.71 -3.20 -0.54 0.00 0.00 174.62 171.87 1h91 n ASN 42 N -1.52 1.43 -3.80 3.99 5.15 -1.26 -4.70 115.26 114.54 1h91 n ASN 42 Ca 0.06 1.09 -0.29 0.00 -0.60 0.00 0.00 54.58 54.84 1h91 n ASN 42 Cb 0.54 -0.95 -0.16 0.00 -0.53 0.00 0.00 39.78 38.68 1h91 n ASN 42 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1h91 s ASN 43 N 3.56 3.32 0.00 1.20 3.84 -1.26 -4.85 114.94 120.75 1h91 s ASN 43 Ca 1.05 -1.01 0.20 0.00 0.21 0.00 0.00 52.86 53.32 1h91 s ASN 43 Cb -1.39 -0.82 1.03 0.00 -0.55 0.00 0.00 41.25 39.52 1h91 s ASN 43 CO 0.76 -0.29 1.68 -0.81 -2.79 0.00 0.00 177.10 175.65 1h91 n PRO 44 N 4.90 1.25 -0.10 0.43 -0.04 -1.26 -3.90 135.00 136.28 1h91 n PRO 44 Ca -0.09 -0.37 -0.12 0.00 -0.04 0.00 0.00 63.50 62.88 1h91 n PRO 44 Cb 0.46 -1.34 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 1h91 n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1h91 n TYR 45 N -0.42 0.00 -1.87 0.54 4.02 -1.26 -4.96 117.16 113.21 1h91 n TYR 45 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.62 1h91 n TYR 45 Cb 0.16 -0.89 -0.03 0.00 -0.02 0.00 0.00 39.34 38.56 1h91 n TYR 45 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1h91 s GLN 46 N -2.45 4.02 0.09 -0.72 2.00 -1.25 -4.89 119.66 116.46 1h91 s GLN 46 Ca -0.19 2.25 0.25 0.00 -2.00 0.00 0.00 55.36 55.68 1h91 s GLN 46 Cb 0.07 -4.09 0.48 0.00 0.80 0.00 0.00 33.01 30.27 1h91 s GLN 46 CO 0.65 -1.06 1.42 1.28 -0.50 0.00 0.00 175.29 177.08 1h91 n LEU 47 N 7.87 0.61 -4.59 3.68 4.77 -1.26 -4.78 117.00 123.30 1h91 n LEU 47 Ca 0.20 0.23 -0.38 0.00 -0.03 0.00 0.00 56.01 56.02 1h91 n LEU 47 Cb 0.43 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 1h91 n LEU 47 CO 0.65 -0.02 -0.17 -0.63 -1.33 0.00 0.00 177.39 175.89 1h91 s ILE 48 N -3.11 5.31 -0.15 -0.08 1.01 -1.26 -3.88 121.20 119.03 1h91 s ILE 48 Ca 0.08 0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.71 1h91 s ILE 48 Cb 0.15 -3.53 -0.24 0.00 0.01 0.00 0.00 42.46 38.85 1h91 s ILE 48 CO 0.69 0.26 0.44 -0.08 0.00 0.00 0.00 174.94 176.24 1h91 h GLU 49 N 8.32 0.11 -6.09 2.79 4.81 -1.25 -3.47 114.58 119.80 1h91 h GLU 49 Ca -0.35 -0.19 -0.56 0.00 -0.13 0.00 0.00 59.36 58.13 1h91 h GLU 49 Cb 1.19 0.07 -0.17 0.00 0.63 0.00 0.00 28.75 30.47 1h91 h GLU 49 CO 0.56 1.09 -0.78 0.15 -0.73 0.00 0.00 179.01 179.30 1h91 s LYS 50 N -2.40 1.43 -1.27 1.92 1.02 -0.83 -4.64 119.74 114.98 1h91 s LYS 50 Ca -0.24 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.21 1h91 s LYS 50 Cb 0.04 -1.51 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 1h91 s LYS 50 CO 0.68 0.30 0.00 0.00 -0.92 0.00 0.00 175.35 175.41 1h91 s VAL 52 N -2.71 3.31 -0.15 0.00 1.01 -1.26 -4.33 120.40 116.27 1h91 s VAL 52 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1h91 s VAL 52 Cb 0.00 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1h91 s VAL 52 CO 0.00 -0.11 -0.10 -0.60 0.00 0.00 0.00 175.10 174.29 1h91 s ARG 53 N 4.95 1.90 -0.24 2.72 3.52 -0.44 -2.08 118.95 129.27 1h91 s ARG 53 Ca 0.84 -0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 55.88 1h91 s ARG 53 Cb -0.33 -2.02 0.01 0.00 -1.56 0.00 0.00 34.95 31.05 1h91 s ARG 53 CO 0.34 -0.32 -0.05 -0.80 -0.81 0.00 0.00 175.30 173.66 1h91 s ASN 54 N 1.55 4.30 -0.25 -2.12 0.01 0.02 -1.28 114.94 117.17 1h91 s ASN 54 Ca 0.03 -0.71 -0.08 0.00 -0.71 0.00 0.00 52.86 51.39 1h91 s ASN 54 Cb -0.14 -1.69 -0.03 0.00 0.41 0.00 0.00 41.25 39.80 1h91 s ASN 54 CO -0.09 -0.09 0.09 -0.70 -1.51 0.00 0.00 177.10 174.80 1h91 s GLU 55 N 1.38 3.74 -0.14 -0.60 2.12 -0.19 -1.08 118.70 123.93 1h91 s GLU 55 Ca 0.02 -0.44 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 1h91 s GLU 55 Cb -0.16 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 1h91 s GLU 55 CO -0.04 -0.14 0.01 0.71 -0.54 0.00 0.00 175.26 175.26 1h91 s TYR 56 N 1.52 3.15 -0.10 5.30 1.51 0.09 -1.24 117.35 127.58 1h91 s TYR 56 Ca 0.06 -0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.14 1h91 s TYR 56 Cb -0.15 -1.95 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 1h91 s TYR 56 CO 0.05 0.19 -0.21 -1.54 -1.11 0.00 0.00 175.55 172.92 1h91 s SER 57 N -0.02 3.32 -0.21 2.29 1.04 -0.52 -1.10 113.70 118.49 1h91 s SER 57 Ca 0.04 -0.49 -0.08 0.00 0.48 0.00 0.00 55.95 55.90 1h91 s SER 57 Cb -0.13 -1.37 -0.04 0.00 0.10 0.00 0.00 66.02 64.59 1h91 s SER 57 CO 0.02 0.18 0.07 0.12 0.98 0.00 0.00 173.24 174.61 1h91 s PHE 58 N 0.25 3.18 -2.63 5.02 5.36 -1.26 -0.80 117.98 127.09 1h91 s PHE 58 Ca -0.15 -0.11 0.24 0.00 -0.96 0.00 0.00 56.93 55.95 1h91 s PHE 58 Cb -0.17 -2.16 0.35 0.00 -0.34 0.00 0.00 43.02 40.71 1h91 s PHE 58 CO 0.07 -0.06 1.36 -0.40 -1.46 0.00 0.00 175.22 174.73 1h91 n ASP 59 N 4.16 3.35 0.00 6.13 3.85 -0.71 -4.94 116.55 128.38 1h91 n ASP 59 Ca -0.16 -2.00 0.00 0.00 -0.71 0.00 0.00 54.79 51.92 1h91 n ASP 59 Cb 0.52 -0.18 0.00 0.00 -1.35 0.00 0.00 41.12 40.11 1h91 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1h91 n GLY 60 N 1.46 2.80 0.00 6.12 0.00 -1.26 -4.83 105.19 109.49 1h91 n GLY 60 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1h91 n GLY 60 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1h91 n LYS 61 N -1.59 3.44 -4.01 1.61 2.85 -1.26 -5.12 118.16 114.08 1h91 n LYS 61 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1h91 n LYS 61 Cb 0.00 -0.67 -0.04 0.00 -0.65 0.00 0.00 35.03 33.67 1h91 n LYS 61 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1h91 s GLN 62 N -0.81 1.83 -0.13 -1.58 -2.07 -1.26 -4.61 119.66 111.02 1h91 s GLN 62 Ca 0.00 -1.52 -0.05 0.00 -1.82 0.00 0.00 55.36 51.97 1h91 s GLN 62 Cb 0.00 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.36 1h91 s GLN 62 CO 0.00 -0.78 0.06 -0.06 -1.32 0.00 0.00 175.29 173.20 1h91 s PHE 63 N -3.30 3.32 -0.12 9.60 0.08 -0.56 -1.74 117.98 125.26 1h91 s PHE 63 Ca 0.25 0.24 -0.14 0.00 0.12 0.00 0.00 56.93 57.41 1h91 s PHE 63 Cb -0.01 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 1h91 s PHE 63 CO 0.15 0.43 0.32 0.08 -0.10 0.00 0.00 175.22 176.10 1h91 s VAL 64 N -0.48 5.26 -0.04 -0.44 1.01 0.02 -1.34 120.40 124.39 1h91 s VAL 64 Ca 0.10 0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.76 1h91 s VAL 64 Cb -0.12 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1h91 s VAL 64 CO 0.02 0.43 -0.22 -0.63 0.00 0.00 0.00 175.10 174.70 1h91 s ILE 65 N 0.10 1.81 -0.24 2.22 1.01 -0.15 -1.43 121.20 124.52 1h91 s ILE 65 Ca 0.19 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1h91 s ILE 65 Cb -0.14 -1.53 0.05 0.00 0.01 0.00 0.00 42.46 40.85 1h91 s ILE 65 CO 0.06 0.51 -0.13 -0.54 0.00 0.00 0.00 174.94 174.84 1h91 s LYS 66 N -0.25 2.49 -0.19 2.79 1.02 -0.38 -1.17 119.74 124.06 1h91 s LYS 66 Ca 0.01 -1.18 -0.06 0.00 0.02 0.00 0.00 55.97 54.77 1h91 s LYS 66 Cb -0.11 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 1h91 s LYS 66 CO 0.02 -0.46 0.01 0.45 -0.92 0.00 0.00 175.35 174.45 1h91 s SER 67 N 1.17 5.06 0.12 2.83 0.15 -0.30 -1.02 113.70 121.71 1h91 s SER 67 Ca -0.04 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.50 1h91 s SER 67 Cb -0.18 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 1h91 s SER 67 CO -0.07 0.11 -0.02 0.42 1.20 0.00 0.00 173.24 174.88 1h91 s THR 68 N 0.73 0.48 -4.91 6.45 -4.23 -0.40 -0.35 115.64 113.41 1h91 s THR 68 Ca 0.01 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1h91 s THR 68 Cb -0.14 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1h91 s THR 68 CO 0.02 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 1h91 n GLY 69 N -0.08 -0.49 3.48 3.99 0.00 -0.97 -1.33 105.19 109.79 1h91 n GLY 69 Ca -0.10 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 1h91 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h91 s ILE 70 N -3.47 4.12 0.97 -0.61 -1.09 -0.41 -1.42 121.20 119.29 1h91 s ILE 70 Ca 0.00 -0.26 -0.15 0.00 -2.23 0.00 0.00 60.65 58.01 1h91 s ILE 70 Cb 0.00 -2.86 0.18 0.00 -1.58 0.00 0.00 42.46 38.20 1h91 s ILE 70 CO 0.00 0.43 1.19 0.00 -1.23 0.00 0.00 174.94 175.33 1h91 s ALA 71 N 0.89 1.80 0.07 9.38 0.00 0.13 -0.84 121.76 133.19 1h91 s ALA 71 Ca 0.01 -0.82 0.33 0.00 0.00 0.00 0.00 51.96 51.48 1h91 s ALA 71 Cb -0.14 -2.92 1.49 0.00 0.00 0.00 0.00 23.12 21.55 1h91 s ALA 71 CO 0.02 -2.50 1.98 1.88 0.00 0.00 0.00 175.76 177.14 1h91 h TYR 72 N -1.69 0.00 -0.36 0.00 -1.99 -1.89 -1.26 116.97 109.78 1h91 h TYR 72 Ca -0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1h91 h TYR 72 Cb 1.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.03 1h91 h TYR 72 CO -0.59 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 177.17 1h91 n ASP 73 N -2.84 2.72 0.00 3.88 5.68 -1.26 -4.94 116.55 119.79 1h91 n ASP 73 Ca -0.00 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1h91 n ASP 73 Cb 0.22 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1h91 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h91 n GLY 74 N 1.34 1.09 3.84 6.12 0.00 -0.48 -5.05 105.19 112.06 1h91 n GLY 74 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1h91 n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h91 s ASN 75 N -3.05 6.84 0.42 1.61 0.01 -1.26 -4.79 114.94 114.72 1h91 s ASN 75 Ca 0.00 1.20 -0.25 0.00 -0.71 0.00 0.00 52.86 53.10 1h91 s ASN 75 Cb 0.00 -2.34 -0.10 0.00 0.41 0.00 0.00 41.25 39.22 1h91 s ASN 75 CO 0.00 -0.04 1.23 0.18 -1.51 0.00 0.00 177.10 176.97 1h91 n LEU 76 N 0.27 3.81 -3.83 0.60 4.77 -1.26 -0.69 117.00 120.68 1h91 n LEU 76 Ca -0.01 1.10 -0.12 0.00 -0.03 0.00 0.00 56.01 56.95 1h91 n LEU 76 Cb 0.52 -1.48 -0.13 0.00 -2.33 0.00 0.00 43.42 40.00 1h91 n LEU 76 CO 0.43 -0.76 -0.23 -0.22 -1.33 0.00 0.00 177.39 175.27 1h91 s LEU 77 N -1.51 1.52 -0.06 2.23 2.96 -0.51 -4.81 118.68 118.51 1h91 s LEU 77 Ca 0.61 0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.82 1h91 s LEU 77 Cb -0.52 0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.58 1h91 s LEU 77 CO 0.58 -0.04 -0.24 -1.59 -1.32 0.00 0.00 176.35 173.73 1h91 s LYS 78 N 0.08 2.57 -0.05 1.98 -2.85 -1.26 -2.29 119.74 117.92 1h91 s LYS 78 Ca -0.00 -0.87 0.06 0.00 -1.00 0.00 0.00 55.97 54.15 1h91 s LYS 78 Cb -0.01 -2.13 -0.01 0.00 -2.06 0.00 0.00 37.83 33.62 1h91 s LYS 78 CO 0.00 0.33 -0.23 1.03 0.10 0.00 0.00 175.35 176.59 1h91 s ARG 79 N -0.06 2.28 -0.18 1.78 1.81 0.53 -5.00 118.95 120.10 1h91 s ARG 79 Ca -0.06 -0.82 -0.14 0.00 -1.72 0.00 0.00 55.73 52.99 1h91 s ARG 79 Cb -0.14 -1.96 -0.04 0.00 -0.45 0.00 0.00 34.95 32.35 1h91 s ARG 79 CO 0.04 0.35 0.31 -0.80 -0.68 0.00 0.00 175.30 174.53 1h91 s ASN 80 N -0.14 6.39 0.32 0.23 0.01 -1.26 -1.14 114.94 119.34 1h91 s ASN 80 Ca -0.02 0.46 0.03 0.00 -0.71 0.00 0.00 52.86 52.61 1h91 s ASN 80 Cb -0.13 -2.19 -0.05 0.00 0.41 0.00 0.00 41.25 39.30 1h91 s ASN 80 CO 0.03 0.03 0.10 -0.83 -1.51 0.00 0.00 177.10 174.92 1h91 s GLY 81 N 0.74 2.08 0.01 0.66 0.00 -0.32 -1.83 107.32 108.66 1h91 s GLY 81 Ca 0.16 -1.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.07 1h91 s GLY 81 CO 0.05 -1.72 0.01 0.54 0.00 0.00 0.00 173.10 171.98 1h91 s LYS 82 N -3.89 0.28 -0.14 2.90 1.02 -0.07 -0.98 119.74 118.85 1h91 s LYS 82 Ca 0.34 -0.43 -0.00 0.00 0.02 0.00 0.00 55.97 55.90 1h91 s LYS 82 Cb 0.07 0.10 0.03 0.00 -0.52 0.00 0.00 37.83 37.51 1h91 s LYS 82 CO 0.15 -0.05 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.93 1h91 s LEU 83 N -1.12 1.50 0.06 3.17 1.43 -0.45 -1.52 118.68 121.74 1h91 s LEU 83 Ca -0.12 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.44 1h91 s LEU 83 Cb -0.07 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 1h91 s LEU 83 CO -0.00 -0.12 0.10 -0.72 0.23 0.00 0.00 176.35 175.84 1h91 s TYR 84 N 1.61 0.26 0.48 0.29 -0.85 -0.73 -1.49 117.35 116.91 1h91 s TYR 84 Ca 0.03 -0.66 -0.24 0.00 -0.52 0.00 0.00 57.07 55.68 1h91 s TYR 84 Cb -0.14 -0.17 -0.07 0.00 0.38 0.00 0.00 41.96 41.97 1h91 s TYR 84 CO -0.09 -0.44 1.39 -2.14 -1.52 0.00 0.00 175.55 172.76 1h91 s PRO 85 N -3.38 3.51 0.17 -3.49 0.02 -1.26 -0.61 135.00 129.96 1h91 s PRO 85 Ca 0.02 2.33 -0.33 0.00 0.02 0.00 0.00 61.00 63.03 1h91 s PRO 85 Cb 0.03 -2.52 -0.15 0.00 0.02 0.00 0.00 34.50 31.89 1h91 s PRO 85 CO -0.08 -0.93 1.39 -1.71 -0.33 0.00 0.00 177.00 175.34 1h91 n ASN 86 N -0.48 2.36 0.18 2.53 2.85 -0.88 -4.64 115.26 117.18 1h91 n ASN 86 Ca 0.07 1.12 0.13 0.00 -0.11 0.00 0.00 54.58 55.79 1h91 n ASN 86 Cb 0.43 -1.34 0.64 0.00 1.24 0.00 0.00 39.78 40.75 1h91 n ASN 86 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1h91 h PRO 87 N 4.59 0.00 -0.02 1.20 0.11 -1.92 -2.34 132.00 133.63 1h91 h PRO 87 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1h91 h PRO 87 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1h91 h PRO 87 CO 0.79 0.00 -0.07 1.19 -0.21 0.00 0.00 178.00 179.69 1h91 n PHE 88 N -2.41 0.00 -0.74 0.65 3.01 -1.26 -4.95 117.46 111.76 1h91 n PHE 88 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1h91 n PHE 88 Cb 0.12 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1h91 n PHE 88 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h91 n GLY 89 N 1.24 0.57 3.77 1.37 0.00 -0.88 -5.05 105.19 106.21 1h91 n GLY 89 Ca 0.17 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1h91 n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h91 s GLU 90 N -1.03 4.13 -0.79 1.61 2.02 -1.26 -4.93 118.70 118.45 1h91 s GLU 90 Ca 0.00 2.20 -0.07 0.00 0.02 0.00 0.00 54.97 57.12 1h91 s GLU 90 Cb 0.00 -2.89 -0.14 0.00 0.10 0.00 0.00 34.13 31.20 1h91 s GLU 90 CO 0.00 -0.38 2.88 -0.35 0.02 0.00 0.00 175.26 177.43 1h91 n PRO 91 N 0.40 2.52 -3.91 0.39 -0.04 -1.26 -4.28 135.00 128.83 1h91 n PRO 91 Ca 0.02 -1.47 -0.09 0.00 -0.04 0.00 0.00 63.50 61.92 1h91 n PRO 91 Cb 0.43 -2.35 -0.04 0.00 -0.04 0.00 0.00 33.50 31.49 1h91 n PRO 91 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1h91 s HIS 92 N 2.05 0.10 0.38 0.54 -3.43 -1.26 -4.63 115.29 109.04 1h91 s HIS 92 Ca 0.58 -0.49 -0.01 0.00 -0.80 0.00 0.00 55.06 54.34 1h91 s HIS 92 Cb 0.20 0.39 -0.03 0.00 -1.43 0.00 0.00 32.58 31.71 1h91 s HIS 92 CO -0.03 -1.05 0.61 -0.51 -2.00 0.00 0.00 174.74 171.75 1h91 s LEU 93 N -2.96 3.91 -0.23 5.38 1.43 -1.14 -2.06 118.68 123.01 1h91 s LEU 93 Ca 0.16 0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 53.72 1h91 s LEU 93 Cb -0.02 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1h91 s LEU 93 CO 0.06 -0.38 0.11 -0.44 0.23 0.00 0.00 176.35 175.94 1h91 s SER 94 N -4.06 5.70 -0.21 2.29 0.01 0.22 -0.58 113.70 117.07 1h91 s SER 94 Ca 0.42 -0.01 -0.14 0.00 1.31 0.00 0.00 55.95 57.54 1h91 s SER 94 Cb -0.10 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 1h91 s SER 94 CO 0.38 0.05 0.30 -0.51 0.41 0.00 0.00 173.24 173.86 1h91 s ILE 95 N 1.14 5.28 -0.03 1.44 2.07 -0.26 -1.78 121.20 129.05 1h91 s ILE 95 Ca 0.06 0.50 0.03 0.00 -1.41 0.00 0.00 60.65 59.82 1h91 s ILE 95 Cb -0.14 -3.63 0.00 0.00 0.13 0.00 0.00 42.46 38.82 1h91 s ILE 95 CO 0.04 0.31 -0.11 -0.62 -1.91 0.00 0.00 174.94 172.66 1h91 s ASP 96 N 0.92 1.47 0.05 4.50 3.68 -0.58 -0.89 116.67 125.83 1h91 s ASP 96 Ca 0.15 -0.23 0.06 0.00 2.13 0.00 0.00 52.55 54.65 1h91 s ASP 96 Cb -0.14 -0.44 -0.02 0.00 -1.45 0.00 0.00 42.92 40.86 1h91 s ASP 96 CO 0.06 0.08 -0.18 -0.31 0.13 0.00 0.00 175.17 174.95 1h91 s TYR 97 N 0.24 1.54 0.29 -5.34 1.51 -1.25 -0.90 117.35 113.45 1h91 s TYR 97 Ca -0.05 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 1h91 s TYR 97 Cb -0.10 -0.90 -0.13 0.00 -0.11 0.00 0.00 41.96 40.71 1h91 s TYR 97 CO 0.01 0.08 1.25 -0.85 -1.11 0.00 0.00 175.55 174.93 1h91 n GLU 98 N 1.78 1.87 -2.16 -0.62 0.28 -0.76 -2.13 120.64 118.90 1h91 n GLU 98 Ca -0.18 0.66 -0.17 0.00 -0.16 0.00 0.00 57.16 57.31 1h91 n GLU 98 Cb 0.54 -2.21 -0.02 0.00 1.43 0.00 0.00 31.44 31.18 1h91 n GLU 98 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1h91 n ASN 99 N 1.33 -5.02 -0.91 -1.84 3.02 -1.26 -4.93 115.26 105.64 1h91 n ASN 99 Ca 0.08 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1h91 n ASN 99 Cb 0.33 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.40 1h91 n ASN 99 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1h91 n SER 100 N -1.16 0.00 -4.91 6.41 2.88 -0.91 -5.18 113.62 110.75 1h91 n SER 100 Ca -0.20 -0.91 -0.21 0.00 -1.33 0.00 0.00 58.87 56.23 1h91 n SER 100 Cb 0.64 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.15 1h91 n SER 100 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1h91 s PHE 101 N -3.61 2.34 0.06 0.66 -0.12 -1.26 -4.79 117.98 111.26 1h91 s PHE 101 Ca 0.00 -0.23 0.08 0.00 -0.05 0.00 0.00 56.93 56.73 1h91 s PHE 101 Cb 0.00 -2.68 -0.03 0.00 -0.63 0.00 0.00 43.02 39.68 1h91 s PHE 101 CO 0.00 -1.05 -0.21 0.00 -0.05 0.00 0.00 175.22 173.91 1h91 s ALA 102 N -2.78 2.49 0.07 1.99 0.00 -1.26 -3.76 121.76 118.51 1h91 s ALA 102 Ca 0.60 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1h91 s ALA 102 Cb -0.08 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1h91 s ALA 102 CO 0.39 0.56 -0.05 0.00 0.00 0.00 0.00 175.76 176.66 1h91 s ALA 103 N -0.92 0.74 0.53 0.00 0.00 -0.07 -4.95 121.76 117.10 1h91 s ALA 103 Ca 0.14 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 50.62 1h91 s ALA 103 Cb -0.10 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.17 1h91 s ALA 103 CO 0.05 -0.30 1.16 -1.25 0.00 0.00 0.00 175.76 175.42 1h91 s PRO 104 N -3.85 3.36 -0.06 0.00 0.04 -1.26 -1.11 135.00 132.12 1h91 s PRO 104 Ca 0.09 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 1h91 s PRO 104 Cb 0.06 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1h91 s PRO 104 CO -0.07 -0.87 0.06 -1.17 0.04 0.00 0.00 177.00 174.99 1h91 s LEU 105 N -3.67 0.22 -0.11 -3.56 2.96 0.25 -4.42 118.68 110.35 1h91 s LEU 105 Ca 0.72 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 54.56 1h91 s LEU 105 Cb -0.27 -0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.20 1h91 s LEU 105 CO 0.31 -0.26 0.04 -0.69 -1.32 0.00 0.00 176.35 174.43 1h91 s VAL 106 N 2.14 4.65 -0.69 1.68 1.01 0.71 -2.86 120.40 127.04 1h91 s VAL 106 Ca 0.05 -0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 1h91 s VAL 106 Cb -0.13 -3.00 0.11 0.00 0.00 0.00 0.00 36.38 33.36 1h91 s VAL 106 CO -0.04 0.58 0.84 -0.63 0.00 0.00 0.00 175.10 175.85 1h91 s ILE 107 N -0.63 4.77 0.25 2.22 1.01 -1.26 -1.36 121.20 126.19 1h91 s ILE 107 Ca 0.11 -1.09 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 1h91 s ILE 107 Cb -0.12 -4.58 0.12 0.00 0.01 0.00 0.00 42.46 37.89 1h91 s ILE 107 CO 0.02 -1.26 1.75 0.25 0.00 0.00 0.00 174.94 175.71 1h91 h LEU 108 N 10.16 0.83 -7.00 2.97 5.85 -1.33 -3.46 115.31 123.33 1h91 h LEU 108 Ca -0.18 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.37 1h91 h LEU 108 Cb 1.07 -0.22 -0.23 0.00 0.37 0.00 0.00 40.66 41.65 1h91 h LEU 108 CO 1.09 0.87 0.35 -0.70 -0.34 0.00 0.00 178.44 179.72 1h91 s GLU 109 N -5.06 0.69 -0.02 1.25 2.12 -1.20 -5.00 118.70 111.47 1h91 s GLU 109 Ca -0.10 0.57 -0.28 0.00 0.36 0.00 0.00 54.97 55.52 1h91 s GLU 109 Cb 0.15 0.33 0.06 0.00 0.26 0.00 0.00 34.13 34.93 1h91 s GLU 109 CO 0.82 -0.13 0.62 -0.08 -0.54 0.00 0.00 175.26 175.95 1h91 s THR 110 N -0.19 0.01 -1.18 -1.70 -1.32 -1.26 -0.41 115.64 109.59 1h91 s THR 110 Ca -0.01 -0.07 0.12 0.00 -1.21 0.00 0.00 61.69 60.53 1h91 s THR 110 Cb -0.03 -0.96 0.30 0.00 -1.51 0.00 0.00 72.50 70.29 1h91 s THR 110 CO -0.01 -0.04 1.21 -0.90 -2.21 0.00 0.00 174.62 172.68 1h91 n ASP 111 N 0.78 2.86 0.00 8.08 5.75 -1.11 -5.02 116.55 127.88 1h91 n ASP 111 Ca -0.19 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.69 1h91 n ASP 111 Cb 0.58 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1h91 n ASP 111 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1h91 n TYR 112 N 0.68 0.00 0.57 2.11 4.02 -1.26 -4.46 117.16 118.82 1h91 n TYR 112 Ca 0.12 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.10 1h91 n TYR 112 Cb 0.43 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.62 1h91 n TYR 112 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1h91 n SER 113 N 0.82 0.76 0.00 7.72 7.64 -1.26 -4.78 113.62 124.52 1h91 n SER 113 Ca 0.00 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1h91 n SER 113 Cb 0.00 1.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 1h91 n SER 113 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1h91 n ASN 114 N -1.71 0.52 -3.85 6.43 4.13 -1.26 -4.73 115.26 114.79 1h91 n ASN 114 Ca 0.01 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.18 1h91 n ASN 114 Cb 0.37 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.54 1h91 n ASN 114 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1h91 s TYR 115 N -1.87 0.13 -0.07 3.10 -0.85 -1.26 -1.59 117.35 114.93 1h91 s TYR 115 Ca 0.00 -0.54 -0.07 0.00 -0.52 0.00 0.00 57.07 55.95 1h91 s TYR 115 Cb 0.00 -0.04 0.02 0.00 0.38 0.00 0.00 41.96 42.32 1h91 s TYR 115 CO 0.00 -0.54 0.20 0.00 -1.52 0.00 0.00 175.55 173.69 1h91 s ALA 116 N -3.74 -0.49 -0.25 9.51 0.00 -0.55 -2.76 121.76 123.49 1h91 s ALA 116 Ca 0.04 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1h91 s ALA 116 Cb 0.04 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1h91 s ALA 116 CO -0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 175.76 175.52 1h91 s LEU 118 N 1.39 2.57 -0.02 0.00 1.43 -0.34 -0.81 118.68 122.90 1h91 s LEU 118 Ca 0.02 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1h91 s LEU 118 Cb -0.16 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.57 1h91 s LEU 118 CO -0.03 0.29 0.04 -0.47 0.23 0.00 0.00 176.35 176.41 1h91 s TYR 119 N -0.82 -0.02 -0.03 0.29 5.04 -0.46 -1.69 117.35 119.66 1h91 s TYR 119 Ca 0.13 0.13 0.03 0.00 -2.44 0.00 0.00 57.07 54.92 1h91 s TYR 119 Cb -0.10 -0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.10 1h91 s TYR 119 CO 0.03 -0.06 -0.11 0.45 -1.34 0.00 0.00 175.55 174.52 1h91 s SER 120 N 0.58 1.45 0.00 4.32 0.15 -0.54 -0.21 113.70 119.46 1h91 s SER 120 Ca -0.05 -0.23 -0.06 0.00 0.70 0.00 0.00 55.95 56.31 1h91 s SER 120 Cb -0.07 -0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1h91 s SER 120 CO -0.02 0.09 0.12 0.00 1.20 0.00 0.00 173.24 174.62 1h91 s ILE 122 N -1.37 -0.01 -0.05 0.00 1.09 -0.48 -4.85 121.20 115.54 1h91 s ILE 122 Ca -0.15 0.13 -0.19 0.00 -1.10 0.00 0.00 60.65 59.35 1h91 s ILE 122 Cb -0.08 -0.08 -0.05 0.00 -1.06 0.00 0.00 42.46 41.19 1h91 s ILE 122 CO 0.01 0.07 0.52 -1.81 -0.10 0.00 0.00 174.94 173.63 1h91 s ASP 123 N 0.70 6.84 0.66 3.58 1.01 -1.26 -1.59 116.67 126.61 1h91 s ASP 123 Ca -0.06 1.00 -0.02 0.00 0.71 0.00 0.00 52.55 54.18 1h91 s ASP 123 Cb -0.09 -2.32 0.08 0.00 1.01 0.00 0.00 42.92 41.61 1h91 s ASP 123 CO -0.02 0.11 0.93 -0.31 0.21 0.00 0.00 175.17 176.09 1h91 s TYR 124 N -0.05 2.31 -2.31 4.23 4.12 -0.58 -5.01 117.35 120.05 1h91 s TYR 124 Ca 0.28 -0.02 0.29 0.00 0.02 0.00 0.00 57.07 57.63 1h91 s TYR 124 Cb -0.17 -2.99 1.17 0.00 -1.52 0.00 0.00 41.96 38.46 1h91 s TYR 124 CO 0.14 -1.38 1.81 0.27 0.02 0.00 0.00 175.55 176.41 1h91 n ASN 125 N -2.70 1.16 -1.10 2.29 0.23 -1.26 -4.22 115.26 109.66 1h91 n ASN 125 Ca 0.11 -1.32 -0.04 0.00 -0.53 0.00 0.00 54.58 52.80 1h91 n ASN 125 Cb 0.60 0.01 0.17 0.00 -2.08 0.00 0.00 39.78 38.48 1h91 n ASN 125 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1h91 n PHE 126 N -0.14 0.94 -0.88 -2.53 1.16 -1.26 -4.98 117.46 109.77 1h91 n PHE 126 Ca 0.19 -1.70 0.00 0.00 -1.87 0.00 0.00 57.45 54.07 1h91 n PHE 126 Cb 0.31 -0.40 0.00 0.00 -1.61 0.00 0.00 39.48 37.78 1h91 n PHE 126 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1h91 n GLY 127 N -1.06 0.46 3.36 4.97 0.00 -1.26 -5.02 105.19 106.63 1h91 n GLY 127 Ca 0.30 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 1h91 n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h91 s TYR 128 N -2.00 1.67 0.17 1.61 2.02 -1.24 -0.98 117.35 118.58 1h91 s TYR 128 Ca 0.00 -0.90 0.04 0.00 -0.37 0.00 0.00 57.07 55.84 1h91 s TYR 128 Cb 0.00 -0.98 -0.05 0.00 -0.40 0.00 0.00 41.96 40.53 1h91 s TYR 128 CO 0.00 0.01 -0.08 -3.38 -1.57 0.00 0.00 175.55 170.53 1h91 s HIS 129 N -3.35 1.33 -0.06 2.71 -3.43 -0.05 -1.53 115.29 110.91 1h91 s HIS 129 Ca 0.30 -0.80 0.05 0.00 -0.80 0.00 0.00 55.06 53.80 1h91 s HIS 129 Cb 0.06 -0.70 -0.02 0.00 -1.43 0.00 0.00 32.58 30.49 1h91 s HIS 129 CO 0.10 0.04 -0.20 -1.54 -2.00 0.00 0.00 174.74 171.14 1h91 s SER 130 N -3.20 3.52 0.11 7.38 1.04 -0.62 -0.90 113.70 121.02 1h91 s SER 130 Ca 0.19 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.29 1h91 s SER 130 Cb 0.03 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.29 1h91 s SER 130 CO 0.02 0.29 -0.10 1.51 0.98 0.00 0.00 173.24 175.94 1h91 s ASP 131 N -0.39 1.49 -0.05 7.02 1.47 -1.22 -1.38 116.67 123.61 1h91 s ASP 131 Ca 0.04 -0.86 -0.02 0.00 1.18 0.00 0.00 52.55 52.89 1h91 s ASP 131 Cb -0.12 0.01 0.03 0.00 -0.34 0.00 0.00 42.92 42.50 1h91 s ASP 131 CO 0.02 -0.29 0.04 -0.36 0.68 0.00 0.00 175.17 175.26 1h91 s PHE 132 N -2.69 0.23 0.13 2.11 0.40 -0.12 -4.91 117.98 113.12 1h91 s PHE 132 Ca 0.08 0.14 0.09 0.00 -0.60 0.00 0.00 56.93 56.64 1h91 s PHE 132 Cb -0.01 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 1h91 s PHE 132 CO -0.00 -0.22 -0.22 -1.12 0.70 0.00 0.00 175.22 174.36 1h91 s SER 133 N 2.07 2.75 -0.03 1.36 0.01 -1.26 -1.46 113.70 117.14 1h91 s SER 133 Ca 0.04 -0.74 -0.07 0.00 1.31 0.00 0.00 55.95 56.49 1h91 s SER 133 Cb -0.12 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 65.96 1h91 s SER 133 CO -0.04 0.06 0.16 -0.36 0.41 0.00 0.00 173.24 173.48 1h91 s PHE 134 N -1.35 -0.09 -0.18 2.43 0.08 -0.68 -1.77 117.98 116.42 1h91 s PHE 134 Ca 0.10 0.20 -0.00 0.00 0.12 0.00 0.00 56.93 57.35 1h91 s PHE 134 Cb -0.09 0.02 0.01 0.00 -0.57 0.00 0.00 43.02 42.38 1h91 s PHE 134 CO 0.05 -0.18 -0.16 0.42 -0.10 0.00 0.00 175.22 175.25 1h91 s ILE 135 N -0.58 2.45 0.06 0.64 1.01 -0.42 -1.20 121.20 123.17 1h91 s ILE 135 Ca -0.07 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.81 1h91 s ILE 135 Cb -0.04 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1h91 s ILE 135 CO 0.01 0.51 -0.06 -0.36 0.00 0.00 0.00 174.94 175.04 1h91 s PHE 136 N 1.20 2.88 0.10 3.97 0.08 -0.03 -0.68 117.98 125.50 1h91 s PHE 136 Ca 0.02 -0.07 0.06 0.00 0.12 0.00 0.00 56.93 57.06 1h91 s PHE 136 Cb -0.14 -1.54 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 1h91 s PHE 136 CO -0.07 0.42 -0.16 -1.54 -0.10 0.00 0.00 175.22 173.77 1h91 s SER 137 N -1.92 1.98 0.00 1.36 1.04 -0.35 -1.48 113.70 114.34 1h91 s SER 137 Ca 0.21 -0.70 0.31 0.00 0.48 0.00 0.00 55.95 56.25 1h91 s SER 137 Cb -0.11 -0.08 1.72 0.00 0.10 0.00 0.00 66.02 67.65 1h91 s SER 137 CO 0.13 -0.07 2.13 0.54 0.98 0.00 0.00 173.24 176.95 1h91 n ARG 138 N 0.99 0.74 -4.30 4.02 5.12 -0.62 -0.81 116.66 121.80 1h91 n ARG 138 Ca -0.19 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.57 1h91 n ARG 138 Cb 0.55 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 30.25 1h91 n ARG 138 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1h91 s SER 139 N -2.24 1.10 0.30 0.55 1.04 -1.26 -4.85 113.70 108.34 1h91 s SER 139 Ca 0.39 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1h91 s SER 139 Cb 0.21 0.29 0.47 0.00 0.10 0.00 0.00 66.02 67.09 1h91 s SER 139 CO 0.40 -0.81 1.85 0.00 0.98 0.00 0.00 173.24 175.66 1h91 h ALA 140 N 2.37 1.28 -2.16 5.32 0.00 -1.96 -3.43 119.26 120.67 1h91 h ALA 140 Ca -0.36 -0.19 -0.46 0.00 0.00 0.00 0.00 54.91 53.90 1h91 h ALA 140 Cb 1.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1h91 h ALA 140 CO 0.56 0.50 -0.32 -0.80 0.00 0.00 0.00 179.25 179.19 1h91 s ASN 141 N -6.61 6.26 -0.10 0.00 0.01 -1.26 -4.69 114.94 108.54 1h91 s ASN 141 Ca -0.09 0.19 -0.04 0.00 -0.71 0.00 0.00 52.86 52.20 1h91 s ASN 141 Cb 0.16 -1.84 0.05 0.00 0.41 0.00 0.00 41.25 40.02 1h91 s ASN 141 CO 0.79 -0.21 0.20 -0.22 -1.51 0.00 0.00 177.10 176.15 1h91 s LEU 142 N -4.14 0.01 0.55 0.60 2.96 -1.26 -4.81 118.68 112.58 1h91 s LEU 142 Ca 0.38 0.43 -0.20 0.00 -0.22 0.00 0.00 54.13 54.52 1h91 s LEU 142 Cb -0.09 0.47 -0.05 0.00 0.50 0.00 0.00 46.19 47.01 1h91 s LEU 142 CO 0.32 -0.22 1.19 0.00 -1.32 0.00 0.00 176.35 176.32 1h91 s ALA 143 N 2.08 2.70 0.33 5.97 0.00 -1.26 -4.79 121.76 126.78 1h91 s ALA 143 Ca -0.00 0.98 0.07 0.00 0.00 0.00 0.00 51.96 53.00 1h91 s ALA 143 Cb -0.12 -3.43 0.74 0.00 0.00 0.00 0.00 23.12 20.32 1h91 s ALA 143 CO -0.07 -0.98 1.83 0.22 0.00 0.00 0.00 175.76 176.76 1h91 h ASP 144 N 1.27 0.75 -0.83 0.00 3.58 -2.01 -0.72 116.42 118.46 1h91 h ASP 144 Ca -0.50 0.06 0.16 0.00 0.42 0.00 0.00 57.03 57.17 1h91 h ASP 144 Cb 1.28 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 42.18 1h91 h ASP 144 CO 0.57 0.35 0.55 1.56 -2.88 0.00 0.00 179.24 179.39 1h91 h GLN 145 N 0.78 0.46 0.11 0.28 1.08 -2.00 -0.78 115.11 115.04 1h91 h GLN 145 Ca 0.50 -0.03 -0.30 0.00 -1.45 0.00 0.00 58.65 57.38 1h91 h GLN 145 Cb 0.74 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 1h91 h GLN 145 CO -0.27 0.31 -1.55 1.88 -0.95 0.00 0.00 178.83 178.24 1h91 h TYR 146 N 0.47 0.43 -0.82 2.96 0.99 -1.51 -3.18 116.97 116.31 1h91 h TYR 146 Ca 0.42 -0.31 0.18 0.00 2.00 0.00 0.00 58.73 61.02 1h91 h TYR 146 Cb 0.92 -0.02 -0.11 0.00 1.00 0.00 0.00 36.73 38.52 1h91 h TYR 146 CO -0.00 1.61 0.32 0.28 -0.00 0.00 0.00 178.16 180.36 1h91 h VAL 147 N -0.26 0.55 -0.12 -2.88 2.07 -1.02 -1.45 116.25 113.14 1h91 h VAL 147 Ca -0.34 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 1h91 h VAL 147 Cb 1.80 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1h91 h VAL 147 CO 0.05 0.07 -0.23 0.11 0.02 0.00 0.00 177.57 177.59 1h91 h LYS 148 N 0.40 0.21 -0.18 1.57 1.57 -1.24 0.62 116.57 119.52 1h91 h LYS 148 Ca 0.48 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1h91 h LYS 148 Cb 0.82 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1h91 h LYS 148 CO -0.48 0.44 0.11 0.87 -0.57 0.00 0.00 179.45 179.82 1h91 h LYS 149 N 0.20 0.25 -0.66 3.15 1.57 -1.25 -1.54 116.57 118.28 1h91 h LYS 149 Ca 0.03 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1h91 h LYS 149 Cb 0.52 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1h91 h LYS 149 CO 0.04 0.20 0.13 0.00 -0.57 0.00 0.00 179.45 179.24 1h91 h GLU 151 N 1.01 0.91 -0.58 0.00 4.81 -0.68 -0.64 114.58 119.41 1h91 h GLU 151 Ca 0.20 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 1h91 h GLU 151 Cb 0.40 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1h91 h GLU 151 CO 0.01 0.60 -0.03 0.00 -0.73 0.00 0.00 179.01 178.86 1h91 h ALA 152 N 1.42 0.85 -0.54 2.92 0.00 -0.94 -1.34 119.26 121.62 1h91 h ALA 152 Ca 0.39 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1h91 h ALA 152 Cb 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1h91 h ALA 152 CO -0.19 0.66 -0.11 0.00 0.00 0.00 0.00 179.25 179.61 1h91 h ALA 153 N 1.01 0.78 -0.12 0.00 0.00 -0.78 -0.54 119.26 119.62 1h91 h ALA 153 Ca 0.16 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1h91 h ALA 153 Cb 0.58 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1h91 h ALA 153 CO 0.03 0.67 -0.59 0.74 0.00 0.00 0.00 179.25 180.10 1h91 h PHE 154 N 0.91 0.82 -0.89 0.00 -1.00 -1.04 -2.88 116.94 112.86 1h91 h PHE 154 Ca 0.14 -0.36 0.15 0.00 2.81 0.00 0.00 57.97 60.71 1h91 h PHE 154 Cb 0.68 -0.13 -0.07 0.00 3.61 0.00 0.00 35.95 40.04 1h91 h PHE 154 CO 0.05 1.16 0.57 0.87 -1.61 0.00 0.00 178.31 179.35 1h91 h LYS 155 N 0.25 0.63 0.00 1.51 1.57 -1.13 -1.25 116.57 118.15 1h91 h LYS 155 Ca -0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1h91 h LYS 155 Cb 1.24 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1h91 h LYS 155 CO 0.12 0.42 -0.07 -0.97 -0.57 0.00 0.00 179.45 178.38 1h91 h ASN 156 N 0.65 0.00 -0.55 0.86 -1.24 -0.87 -1.46 115.58 112.96 1h91 h ASN 156 Ca 0.45 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 57.15 1h91 h ASN 156 Cb 0.78 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.65 1h91 h ASN 156 CO -0.20 0.07 0.09 2.30 -1.29 0.00 0.00 177.43 178.39 1h91 n ILE 157 N -3.97 2.76 -2.18 2.57 -5.35 -0.51 -4.96 119.36 107.72 1h91 n ILE 157 Ca -0.03 -2.68 -0.19 0.00 -0.27 0.00 0.00 62.75 59.58 1h91 n ILE 157 Cb 0.16 -0.45 -0.03 0.00 -1.74 0.00 0.00 39.64 37.58 1h91 n ILE 157 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1h91 n ASN 158 N -1.10 -5.42 -4.72 7.28 3.02 -0.55 -4.86 115.26 108.92 1h91 n ASN 158 Ca 0.42 0.14 -0.40 0.00 -0.03 0.00 0.00 54.58 54.70 1h91 n ASN 158 Cb 1.15 -4.60 -0.04 0.00 -0.61 0.00 0.00 39.78 35.68 1h91 n ASN 158 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h91 s VAL 159 N -2.87 4.93 -0.51 2.41 1.01 -0.97 -5.02 120.40 119.39 1h91 s VAL 159 Ca 0.00 1.68 -0.28 0.00 0.00 0.00 0.00 61.98 63.38 1h91 s VAL 159 Cb 0.00 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1h91 s VAL 159 CO 0.00 0.24 1.45 -0.62 0.00 0.00 0.00 175.10 176.18 1h91 s ASP 160 N 0.72 6.13 0.00 3.32 2.15 -1.26 -4.00 116.67 123.73 1h91 s ASP 160 Ca 0.42 0.50 0.17 0.00 0.43 0.00 0.00 52.55 54.07 1h91 s ASP 160 Cb -0.19 -2.54 0.78 0.00 -0.30 0.00 0.00 42.92 40.66 1h91 s ASP 160 CO 0.22 -1.66 1.53 0.35 -0.17 0.00 0.00 175.17 175.44 1h91 n THR 161 N 6.97 0.71 0.64 1.71 -2.24 -1.26 -1.69 114.28 119.12 1h91 n THR 161 Ca 0.15 0.18 0.07 0.00 -2.27 0.00 0.00 64.05 62.17 1h91 n THR 161 Cb 0.49 -0.89 0.35 0.00 -2.10 0.00 0.00 70.33 68.18 1h91 n THR 161 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1h91 n THR 162 N -1.42 0.68 0.36 4.28 -2.24 -1.26 -2.54 114.28 112.13 1h91 n THR 162 Ca 0.06 0.17 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 1h91 n THR 162 Cb 0.18 -0.93 0.34 0.00 -2.10 0.00 0.00 70.33 67.81 1h91 n THR 162 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1h91 h ARG 163 N 0.00 0.00 -6.88 -0.78 3.08 -1.73 -3.46 114.38 104.61 1h91 h ARG 163 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1h91 h ARG 163 Cb 0.15 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.26 1h91 h ARG 163 CO 0.00 0.00 0.63 -0.06 -1.07 0.00 0.00 179.97 179.47 1h91 s PHE 164 N -3.26 3.07 -0.05 3.04 0.08 -1.05 -4.16 117.98 115.65 1h91 s PHE 164 Ca 0.07 1.42 0.05 0.00 0.12 0.00 0.00 56.93 58.59 1h91 s PHE 164 Cb 0.08 -3.67 -0.01 0.00 -0.57 0.00 0.00 43.02 38.86 1h91 s PHE 164 CO 0.61 -1.82 -0.20 0.08 -0.10 0.00 0.00 175.22 173.80 1h91 s VAL 165 N -1.12 1.63 0.34 -0.44 1.01 -0.74 -4.96 120.40 116.12 1h91 s VAL 165 Ca 0.49 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 1h91 s VAL 165 Cb -0.39 -1.39 -0.09 0.00 0.00 0.00 0.00 36.38 34.50 1h91 s VAL 165 CO 0.52 0.46 1.11 -0.75 0.00 0.00 0.00 175.10 176.45 1h91 s LYS 166 N -0.02 4.36 -0.05 2.72 2.20 -1.26 -1.67 119.74 126.02 1h91 s LYS 166 Ca -0.04 1.76 -0.13 0.00 -0.36 0.00 0.00 55.97 57.20 1h91 s LYS 166 Cb -0.12 -2.89 -0.05 0.00 -1.51 0.00 0.00 37.83 33.25 1h91 s LYS 166 CO 0.03 -0.03 0.33 0.99 -0.36 0.00 0.00 175.35 176.31 1h91 s THR 167 N -1.35 5.19 0.10 3.43 2.01 -0.66 -4.94 115.64 119.42 1h91 s THR 167 Ca 0.51 0.65 -0.31 0.00 0.31 0.00 0.00 61.69 62.85 1h91 s THR 167 Cb -0.30 -3.62 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 1h91 s THR 167 CO 0.38 0.57 1.79 -0.69 -0.69 0.00 0.00 174.62 175.98 1h91 s VAL 168 N -0.90 2.73 0.20 3.82 1.01 -1.26 -4.89 120.40 121.11 1h91 s VAL 168 Ca 0.21 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.30 1h91 s VAL 168 Cb -0.15 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1h91 s VAL 168 CO 0.10 -0.00 0.26 -1.10 0.00 0.00 0.00 175.10 174.36 1h91 s GLN 169 N 2.88 1.27 0.00 2.72 -1.52 -1.26 -0.47 119.66 123.28 1h91 s GLN 169 Ca 0.80 -1.40 0.00 0.00 -1.95 0.00 0.00 55.36 52.81 1h91 s GLN 169 Cb -0.44 0.35 0.00 0.00 -0.22 0.00 0.00 33.01 32.70 1h91 s GLN 169 CO 0.36 -0.46 0.00 0.41 -0.25 0.00 0.00 175.29 175.34 1h91 n GLY 170 N -0.27 -0.21 0.26 3.09 0.00 -1.26 -4.72 105.19 102.07 1h91 n GLY 170 Ca -0.02 -2.07 0.17 0.00 0.00 0.00 0.00 46.02 44.11 1h91 n GLY 170 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h91 h SER 171 N 0.00 0.00 0.44 1.61 4.64 -2.01 -0.93 113.55 117.30 1h91 h SER 171 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h91 h SER 171 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1h91 h SER 171 CO 0.00 0.00 -0.10 -1.54 -0.87 0.00 0.00 176.83 174.32 1h91 n SER 172 N -2.89 0.37 -4.75 4.97 3.41 -1.26 -4.85 113.62 108.61 1h91 n SER 172 Ca -0.00 -0.43 -0.39 0.00 -0.26 0.00 0.00 58.87 57.79 1h91 n SER 172 Cb 0.22 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 1h91 n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h91 n PRO 174 N 3.00 4.09 -0.37 0.00 -0.04 -1.26 -4.75 135.00 135.66 1h91 n PRO 174 Ca -0.07 -2.84 0.01 0.00 -0.04 0.00 0.00 63.50 60.56 1h91 n PRO 174 Cb 0.51 -2.74 0.15 0.00 -0.04 0.00 0.00 33.50 31.38 1h91 n PRO 174 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1h91 h TYR 175 N 4.88 1.22 -0.01 0.54 0.99 -1.94 -0.86 116.97 121.79 1h91 h TYR 175 Ca 0.77 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 61.48 1h91 h TYR 175 Cb 0.31 -0.41 -0.01 0.00 1.00 0.00 0.00 36.73 37.63 1h91 h TYR 175 CO 1.72 0.70 -0.23 -0.44 -0.00 0.00 0.00 178.16 179.91 1h91 h ASP 176 N 1.25 0.01 -0.07 3.88 3.45 -2.00 0.02 116.42 122.97 1h91 h ASP 176 Ca 0.40 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.77 1h91 h ASP 176 Cb 0.02 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 1h91 h ASP 176 CO -0.13 0.25 -0.30 0.74 -1.57 0.00 0.00 179.24 178.22 1h91 h THR 177 N 0.01 1.42 -0.81 0.35 2.02 -1.69 -3.30 112.91 110.92 1h91 h THR 177 Ca 0.00 -1.71 0.11 0.00 0.77 0.00 0.00 66.41 65.58 1h91 h THR 177 Cb 0.42 2.32 -0.08 0.00 -1.74 0.00 0.00 68.15 69.07 1h91 h THR 177 CO 0.03 0.49 0.44 1.56 0.37 0.00 0.00 175.52 178.41 1h91 h GLN 178 N -0.16 0.70 0.00 6.66 4.20 -0.66 -1.79 115.11 124.05 1h91 h GLN 178 Ca -0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1h91 h GLN 178 Cb 0.95 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1h91 h GLN 178 CO 0.06 0.46 0.00 0.36 -0.67 0.00 0.00 178.83 179.04 1h91 n LYS 179 N -4.79 0.30 0.00 1.46 2.85 -0.05 -1.79 118.16 116.13 1h91 n LYS 179 Ca 0.14 0.10 0.06 0.00 -1.05 0.00 0.00 58.31 57.56 1h91 n LYS 179 Cb 0.32 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.21 1h91 n LYS 179 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1h91 n THR 180 N -1.22 0.00 0.00 0.58 -1.04 -0.68 -5.11 114.28 106.80 1h91 n THR 180 Ca 0.09 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1h91 n THR 180 Cb 0.12 1.17 0.00 0.00 -1.82 0.00 0.00 70.33 69.80 1h91 n THR 180 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95