#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3u n GLY 2 N 0.00 0.76 3.77 2.92 0.00 3.80 -4.97 105.19 111.46 1s3u n GLY 2 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1s3u n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s3u s SER 3 N -1.00 6.85 -0.28 1.61 0.01 -1.25 -4.80 113.70 114.84 1s3u s SER 3 Ca 0.00 2.27 -0.10 0.00 1.31 0.00 0.00 55.95 59.42 1s3u s SER 3 Cb 0.00 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 1s3u s SER 3 CO 0.00 -0.44 0.17 -0.22 0.41 0.00 0.00 173.24 173.16 1s3u s LEU 4 N -2.13 3.92 0.08 2.44 2.96 -1.26 0.19 118.68 124.87 1s3u s LEU 4 Ca 0.52 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 1s3u s LEU 4 Cb -0.30 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1s3u s LEU 4 CO 0.38 -0.05 -0.07 0.20 -1.32 0.00 0.00 176.35 175.48 1s3u s ASN 5 N 1.73 1.06 0.03 3.68 0.01 -0.14 -2.94 114.94 118.39 1s3u s ASN 5 Ca 0.07 -0.82 0.09 0.00 -0.71 0.00 0.00 52.86 51.49 1s3u s ASN 5 Cb -0.16 0.06 -0.03 0.00 0.41 0.00 0.00 41.25 41.54 1s3u s ASN 5 CO 0.10 -0.35 -0.25 0.00 -1.51 0.00 0.00 177.10 175.09 1s3u s ILE 7 N -0.80 0.74 0.02 0.00 2.07 -0.87 -1.34 121.20 121.01 1s3u s ILE 7 Ca 0.12 -0.30 -0.20 0.00 -1.41 0.00 0.00 60.65 58.86 1s3u s ILE 7 Cb -0.10 -0.68 0.04 0.00 0.13 0.00 0.00 42.46 41.85 1s3u s ILE 7 CO 0.02 0.25 0.45 0.54 -1.91 0.00 0.00 174.94 174.29 1s3u s VAL 8 N 0.46 0.04 -0.15 4.00 0.11 -0.95 -4.47 120.40 119.45 1s3u s VAL 8 Ca -0.07 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.63 1s3u s VAL 8 Cb -0.11 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1s3u s VAL 8 CO 0.01 -0.20 -0.18 0.00 -3.33 0.00 0.00 175.10 171.40 1s3u s ALA 9 N -2.03 2.40 -0.01 1.54 0.00 -1.26 0.81 121.76 123.23 1s3u s ALA 9 Ca -0.08 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1s3u s ALA 9 Cb -0.02 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 1s3u s ALA 9 CO 0.01 -0.03 -0.11 0.14 0.00 0.00 0.00 175.76 175.77 1s3u s VAL 10 N 0.81 0.88 0.78 0.00 -7.23 -0.77 -4.64 120.40 110.23 1s3u s VAL 10 Ca -0.06 -0.51 -0.10 0.00 -1.81 0.00 0.00 61.98 59.50 1s3u s VAL 10 Cb -0.15 -0.74 0.17 0.00 0.56 0.00 0.00 36.38 36.22 1s3u s VAL 10 CO -0.01 0.23 1.06 -1.54 -0.31 0.00 0.00 175.10 174.53 1s3u n SER 11 N 2.74 0.45 0.07 4.85 3.41 -0.99 -1.60 113.62 122.56 1s3u n SER 11 Ca -0.14 -1.61 0.01 0.00 -0.26 0.00 0.00 58.87 56.86 1s3u n SER 11 Cb 0.56 -0.78 0.33 0.00 -0.26 0.00 0.00 64.21 64.06 1s3u n SER 11 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1s3u h GLN 12 N 0.00 0.35 -0.01 4.33 4.20 0.06 -2.66 115.11 121.38 1s3u h GLN 12 Ca -0.35 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1s3u h GLN 12 Cb 1.04 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1s3u h GLN 12 CO 0.28 0.49 0.00 0.27 -0.67 0.00 0.00 178.83 179.20 1s3u n ASN 13 N -4.24 0.14 -0.46 1.46 6.94 -1.26 -4.89 115.26 112.95 1s3u n ASN 13 Ca -0.00 -1.16 -0.01 0.00 -0.02 0.00 0.00 54.58 53.39 1s3u n ASN 13 Cb 0.30 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 1s3u n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1s3u n MET 14 N -0.83 -0.34 -3.03 -3.83 2.81 -1.00 -4.98 117.12 105.91 1s3u n MET 14 Ca 0.21 0.06 -0.40 0.00 -1.81 0.00 0.00 57.70 55.75 1s3u n MET 14 Cb 0.12 -3.12 -0.05 0.00 -0.71 0.00 0.00 33.22 29.46 1s3u n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1s3u s GLY 15 N -2.98 2.12 -0.01 3.03 0.00 -1.26 -1.45 107.32 106.77 1s3u s GLY 15 Ca 0.02 -0.13 0.14 0.00 0.00 0.00 0.00 44.72 44.75 1s3u s GLY 15 CO 0.03 1.42 0.46 0.29 0.00 0.00 0.00 173.10 175.29 1s3u n ILE 16 N 4.61 0.00 -3.53 0.90 -5.35 -0.36 -2.35 119.36 113.27 1s3u n ILE 16 Ca 0.01 -0.24 -0.10 0.00 -0.27 0.00 0.00 62.75 62.15 1s3u n ILE 16 Cb 0.50 0.65 -0.03 0.00 -1.74 0.00 0.00 39.64 39.01 1s3u n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s3u s GLY 17 N -2.85 -0.41 -0.13 3.28 0.00 -1.24 -4.56 107.32 101.42 1s3u s GLY 17 Ca 0.01 1.38 -0.03 0.00 0.00 0.00 0.00 44.72 46.08 1s3u s GLY 17 CO 0.57 0.62 0.06 1.25 0.00 0.00 0.00 173.10 175.59 1s3u s LYS 18 N -2.29 0.26 -1.48 2.90 2.20 0.50 -0.70 119.74 121.12 1s3u s LYS 18 Ca 0.02 -0.03 -0.10 0.00 -0.36 0.00 0.00 55.97 55.50 1s3u s LYS 18 Cb -0.01 -1.46 0.06 0.00 -1.51 0.00 0.00 37.83 34.92 1s3u s LYS 18 CO -0.04 -0.53 0.84 0.09 -0.36 0.00 0.00 175.35 175.35 1s3u n ASN 19 N 5.21 -3.33 0.00 1.43 3.02 -1.26 0.23 115.26 120.57 1s3u n ASN 19 Ca -0.07 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1s3u n ASN 19 Cb 0.49 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 1s3u n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s3u n GLY 20 N -1.66 0.44 3.75 7.41 0.00 -1.26 -4.98 105.19 108.89 1s3u n GLY 20 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1s3u n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s3u s ASP 21 N -2.35 4.79 0.33 1.61 2.15 0.14 -4.66 116.67 118.68 1s3u s ASP 21 Ca 0.00 -0.72 -0.26 0.00 0.43 0.00 0.00 52.55 52.00 1s3u s ASP 21 Cb 0.00 -0.78 -0.09 0.00 -0.30 0.00 0.00 42.92 41.74 1s3u s ASP 21 CO 0.00 -0.30 1.02 -0.76 -0.17 0.00 0.00 175.17 174.96 1s3u s LEU 22 N -3.87 4.34 0.17 -1.34 1.43 -1.26 0.19 118.68 118.34 1s3u s LEU 22 Ca 0.38 2.02 0.15 0.00 -1.03 0.00 0.00 54.13 55.65 1s3u s LEU 22 Cb -0.03 -3.95 0.72 0.00 0.03 0.00 0.00 46.19 42.95 1s3u s LEU 22 CO 0.23 -0.22 1.45 -2.65 0.23 0.00 0.00 176.35 175.39 1s3u n PRO 23 N 0.56 0.09 -4.41 1.29 -0.02 -1.26 -4.65 135.00 126.59 1s3u n PRO 23 Ca 0.02 0.49 -0.20 0.00 -2.02 0.00 0.00 63.50 61.79 1s3u n PRO 23 Cb 0.48 -1.74 -0.10 0.00 -0.02 0.00 0.00 33.50 32.12 1s3u n PRO 23 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1s3u s TRP 24 N -3.26 1.87 0.82 6.00 -2.14 -1.26 -4.68 118.94 116.29 1s3u s TRP 24 Ca 0.01 -0.83 -0.12 0.00 2.66 0.00 0.00 56.10 57.82 1s3u s TRP 24 Cb 0.06 -1.12 0.09 0.00 -3.10 0.00 0.00 33.47 29.39 1s3u s TRP 24 CO 0.19 0.13 1.18 -2.14 -2.66 0.00 0.00 176.95 173.65 1s3u s PRO 25 N -3.81 1.62 0.47 3.25 0.02 -1.26 -4.89 135.00 130.40 1s3u s PRO 25 Ca 0.31 1.65 -0.24 0.00 0.02 0.00 0.00 61.00 62.74 1s3u s PRO 25 Cb 0.06 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.71 1s3u s PRO 25 CO 0.12 -2.21 1.33 -2.30 -0.33 0.00 0.00 177.00 173.62 1s3u n PRO 26 N -3.46 1.95 -3.66 5.54 -0.02 -1.26 -4.95 135.00 129.13 1s3u n PRO 26 Ca 0.13 0.70 -0.29 0.00 -2.02 0.00 0.00 63.50 62.01 1s3u n PRO 26 Cb 0.51 -2.50 -0.13 0.00 -0.02 0.00 0.00 33.50 31.35 1s3u n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s3u s LEU 27 N -2.43 2.23 0.42 2.45 1.43 -1.26 -4.99 118.68 116.52 1s3u s LEU 27 Ca 0.64 -2.33 0.28 0.00 -1.03 0.00 0.00 54.13 51.69 1s3u s LEU 27 Cb -0.46 -0.86 1.42 0.00 0.03 0.00 0.00 46.19 46.31 1s3u s LEU 27 CO 0.55 -0.31 1.59 0.03 0.23 0.00 0.00 176.35 178.45 1s3u h ARG 28 N 7.07 0.04 0.00 1.70 3.08 -1.98 0.78 114.38 125.07 1s3u h ARG 28 Ca -0.02 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1s3u h ARG 28 Cb 0.95 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1s3u h ARG 28 CO 0.43 0.03 -0.91 -0.91 -1.07 0.00 0.00 179.97 177.54 1s3u h ASN 29 N 0.04 0.00 -0.01 7.04 2.35 -1.99 -2.30 115.58 120.71 1s3u h ASN 29 Ca 0.85 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 56.34 1s3u h ASN 29 Cb 2.54 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.93 1s3u h ASN 29 CO -0.55 0.43 -1.00 -0.08 -1.65 0.00 0.00 177.43 174.58 1s3u h GLU 30 N 0.00 0.70 -0.41 0.81 4.22 0.05 -2.91 114.58 117.04 1s3u h GLU 30 Ca -0.07 -0.74 -0.03 0.00 0.08 0.00 0.00 59.36 58.60 1s3u h GLU 30 Cb 1.39 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 1s3u h GLU 30 CO 0.04 1.31 0.12 0.74 -2.18 0.00 0.00 179.01 179.05 1s3u h PHE 31 N 0.39 0.66 -0.53 0.92 0.04 -1.02 -1.66 116.94 115.73 1s3u h PHE 31 Ca -0.12 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.55 1s3u h PHE 31 Cb 1.65 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 39.59 1s3u h PHE 31 CO 0.10 0.61 0.22 0.00 -0.60 0.00 0.00 178.31 178.64 1s3u h ARG 32 N 0.51 0.77 -0.19 1.51 3.08 -1.48 -0.81 114.38 117.77 1s3u h ARG 32 Ca 0.13 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1s3u h ARG 32 Cb 0.26 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1s3u h ARG 32 CO -0.00 0.63 -0.21 -0.92 -1.07 0.00 0.00 179.97 178.40 1s3u h TYR 33 N 0.76 0.58 -0.20 3.04 5.03 -1.32 0.75 116.97 125.60 1s3u h TYR 33 Ca 0.18 -0.18 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 1s3u h TYR 33 Cb 0.15 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 1s3u h TYR 33 CO 0.01 0.85 0.05 0.35 -1.32 0.00 0.00 178.16 178.10 1s3u h PHE 34 N 0.14 0.34 -0.13 -3.82 3.57 -1.13 -2.35 116.94 113.56 1s3u h PHE 34 Ca 0.03 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1s3u h PHE 34 Cb 0.76 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1s3u h PHE 34 CO 0.08 0.44 0.01 1.96 -2.23 0.00 0.00 178.31 178.58 1s3u h GLN 35 N 0.14 0.23 -0.24 1.11 1.08 -1.16 -2.79 115.11 113.47 1s3u h GLN 35 Ca 0.06 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1s3u h GLN 35 Cb 0.27 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 1s3u h GLN 35 CO 0.00 0.43 0.06 0.07 -0.95 0.00 0.00 178.83 178.44 1s3u h ARG 36 N -0.01 0.15 -0.05 1.46 0.11 -0.87 -1.02 114.38 114.16 1s3u h ARG 36 Ca 0.04 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.11 1s3u h ARG 36 Cb 0.32 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.37 1s3u h ARG 36 CO 0.00 0.10 0.03 0.52 0.10 0.00 0.00 179.97 180.72 1s3u h MET 37 N 0.16 0.06 0.00 0.08 2.86 -1.47 -2.43 114.93 114.20 1s3u h MET 37 Ca 0.11 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 1s3u h MET 37 Cb 0.10 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1s3u h MET 37 CO -0.13 0.09 -0.59 1.79 1.06 0.00 0.00 176.91 179.13 1s3u h THR 38 N 0.02 1.23 0.00 2.22 1.35 -1.47 -3.35 112.91 112.91 1s3u h THR 38 Ca 0.02 -2.16 -0.11 0.00 -0.55 0.00 0.00 66.41 63.61 1s3u h THR 38 Cb 0.05 2.23 -0.02 0.00 -1.73 0.00 0.00 68.15 68.67 1s3u h THR 38 CO -0.00 0.58 -1.20 0.74 -0.25 0.00 0.00 175.52 175.38 1s3u h THR 39 N 0.00 0.35 -3.17 6.82 2.02 -1.10 -3.43 112.91 114.40 1s3u h THR 39 Ca -0.01 -1.67 -0.55 0.00 0.77 0.00 0.00 66.41 64.96 1s3u h THR 39 Cb 1.18 1.88 -0.07 0.00 -1.74 0.00 0.00 68.15 69.40 1s3u h THR 39 CO 0.08 0.20 0.98 -0.89 0.37 0.00 0.00 175.52 176.26 1s3u s THR 40 N -3.07 4.00 -0.03 3.16 2.01 -0.92 -4.77 115.64 116.02 1s3u s THR 40 Ca -0.02 0.89 -0.23 0.00 0.31 0.00 0.00 61.69 62.64 1s3u s THR 40 Cb 0.09 -4.73 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 1s3u s THR 40 CO 0.80 -1.36 0.69 -0.55 -0.69 0.00 0.00 174.62 173.51 1s3u s SER 41 N 2.99 7.04 0.00 3.53 0.15 -1.26 -4.91 113.70 121.24 1s3u s SER 41 Ca 0.43 1.24 0.18 0.00 0.70 0.00 0.00 55.95 58.50 1s3u s SER 41 Cb -0.07 -2.41 1.09 0.00 -1.71 0.00 0.00 66.02 62.91 1s3u s SER 41 CO 0.25 -0.04 1.51 -1.54 1.20 0.00 0.00 173.24 174.62 1s3u n SER 42 N 3.34 0.00 -3.75 5.45 3.41 -1.26 -4.66 113.62 116.15 1s3u n SER 42 Ca -0.03 -0.75 -0.13 0.00 -0.26 0.00 0.00 58.87 57.70 1s3u n SER 42 Cb 0.51 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.32 1s3u n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1s3u s VAL 43 N -2.00 -0.05 0.72 -3.33 1.01 -1.26 -5.14 120.40 110.36 1s3u s VAL 43 Ca 0.27 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 1s3u s VAL 43 Cb 0.12 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 36.29 1s3u s VAL 43 CO 0.21 0.07 1.16 -0.70 0.00 0.00 0.00 175.10 175.85 1s3u s GLU 44 N 1.15 2.26 0.00 2.72 2.56 -1.26 -2.69 118.70 123.44 1s3u s GLU 44 Ca -0.09 1.60 0.00 0.00 0.00 0.00 0.00 54.97 56.48 1s3u s GLU 44 Cb -0.11 -1.87 0.00 0.00 2.00 0.00 0.00 34.13 34.15 1s3u s GLU 44 CO -0.06 -1.70 0.00 0.41 -0.56 0.00 0.00 175.26 173.35 1s3u n GLY 45 N 0.01 1.39 3.59 -1.50 0.00 -1.26 -4.99 105.19 102.43 1s3u n GLY 45 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1s3u n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3u s LYS 46 N -0.15 2.10 0.23 1.61 1.02 -1.09 -4.93 119.74 118.52 1s3u s LYS 46 Ca 0.00 -1.54 0.11 0.00 0.02 0.00 0.00 55.97 54.56 1s3u s LYS 46 Cb 0.00 -2.03 -0.05 0.00 -0.52 0.00 0.00 37.83 35.23 1s3u s LYS 46 CO 0.00 0.34 -0.21 -0.65 -0.92 0.00 0.00 175.35 173.92 1s3u s GLN 47 N -3.63 1.54 0.19 1.68 -0.21 -0.00 -4.80 119.66 114.43 1s3u s GLN 47 Ca 0.31 -1.63 -0.12 0.00 0.02 0.00 0.00 55.36 53.95 1s3u s GLN 47 Cb -0.06 -1.68 -0.07 0.00 1.00 0.00 0.00 33.01 32.20 1s3u s GLN 47 CO 0.18 0.33 0.56 -0.80 -2.12 0.00 0.00 175.29 173.44 1s3u s ASN 48 N -3.10 6.73 -0.16 5.90 0.01 -1.26 0.20 114.94 123.25 1s3u s ASN 48 Ca 0.24 1.01 -0.05 0.00 -0.71 0.00 0.00 52.86 53.36 1s3u s ASN 48 Cb -0.06 -2.26 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 1s3u s ASN 48 CO 0.11 0.01 -0.01 -0.22 -1.51 0.00 0.00 177.10 175.48 1s3u s LEU 49 N -2.41 3.42 -0.17 0.60 2.96 -0.92 -1.24 118.68 120.91 1s3u s LEU 49 Ca 0.43 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1s3u s LEU 49 Cb -0.13 -1.83 -0.00 0.00 0.50 0.00 0.00 46.19 44.72 1s3u s LEU 49 CO 0.20 0.18 -0.12 0.68 -1.32 0.00 0.00 176.35 175.97 1s3u s VAL 50 N 0.30 2.91 -0.11 1.68 -7.23 -0.67 0.30 120.40 117.57 1s3u s VAL 50 Ca -0.02 -0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 59.47 1s3u s VAL 50 Cb -0.14 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 1s3u s VAL 50 CO 0.02 0.49 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.59 1s3u s ILE 51 N 0.95 3.53 0.12 -0.62 1.01 0.25 -1.36 121.20 125.08 1s3u s ILE 51 Ca -0.02 -0.51 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 1s3u s ILE 51 Cb -0.15 -2.48 0.03 0.00 0.01 0.00 0.00 42.46 39.87 1s3u s ILE 51 CO -0.01 0.54 0.38 0.00 0.00 0.00 0.00 174.94 175.85 1s3u s MET 52 N -0.09 1.06 0.80 2.79 0.23 -0.40 -1.32 119.30 122.37 1s3u s MET 52 Ca 0.00 -0.76 -0.12 0.00 -1.03 0.00 0.00 55.69 53.79 1s3u s MET 52 Cb -0.13 0.45 0.07 0.00 -1.53 0.00 0.00 34.83 33.69 1s3u s MET 52 CO 0.03 -0.41 1.16 0.20 -2.03 0.00 0.00 175.02 173.98 1s3u s GLY 53 N -2.82 1.60 0.19 3.16 0.00 -0.71 0.50 107.32 109.23 1s3u s GLY 53 Ca 0.04 -0.58 -0.09 0.00 0.00 0.00 0.00 44.72 44.09 1s3u s GLY 53 CO -0.11 -0.11 1.67 1.70 0.00 0.00 0.00 173.10 176.25 1s3u h LYS 54 N -1.02 1.09 -0.05 2.90 3.64 -1.91 -1.61 116.57 119.61 1s3u h LYS 54 Ca -0.46 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 58.60 1s3u h LYS 54 Cb 1.32 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1s3u h LYS 54 CO 0.65 1.03 0.02 -0.22 -2.27 0.00 0.00 179.45 178.67 1s3u h LYS 55 N 1.01 0.08 -0.17 1.90 3.64 -1.94 -1.28 116.57 119.82 1s3u h LYS 55 Ca 0.19 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1s3u h LYS 55 Cb 0.51 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1s3u h LYS 55 CO 0.02 0.20 0.01 1.15 -2.27 0.00 0.00 179.45 178.56 1s3u h THR 56 N -0.06 0.90 -0.29 1.00 2.02 -1.86 -0.43 112.91 114.19 1s3u h THR 56 Ca 0.02 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.24 1s3u h THR 56 Cb 0.15 0.82 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 1s3u h THR 56 CO -0.00 0.01 -0.23 -0.25 0.37 0.00 0.00 175.52 175.42 1s3u h TRP 57 N 0.07 -0.61 0.00 3.16 2.91 -1.20 -0.03 115.95 120.24 1s3u h TRP 57 Ca 0.08 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.14 1s3u h TRP 57 Cb 0.09 0.31 0.00 0.00 -0.51 0.00 0.00 29.16 29.05 1s3u h TRP 57 CO -0.15 -0.31 0.00 1.19 -1.03 0.00 0.00 178.44 178.14 1s3u n PHE 58 N -5.38 0.00 0.96 2.65 3.01 -0.49 -3.08 117.46 115.13 1s3u n PHE 58 Ca -0.00 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.60 1s3u n PHE 58 Cb 0.29 -0.46 0.54 0.00 -0.01 0.00 0.00 39.48 39.84 1s3u n PHE 58 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1s3u n SER 59 N -1.46 0.16 -4.81 4.37 3.41 -0.03 -4.85 113.62 110.40 1s3u n SER 59 Ca 0.06 0.40 -0.38 0.00 -0.26 0.00 0.00 58.87 58.69 1s3u n SER 59 Cb 0.23 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.71 1s3u n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1s3u s ILE 60 N -3.01 4.97 0.28 -1.33 1.01 -1.18 -4.91 121.20 117.03 1s3u s ILE 60 Ca 0.13 0.96 -0.30 0.00 0.00 0.00 0.00 60.65 61.44 1s3u s ILE 60 Cb 0.18 -3.78 -0.11 0.00 0.01 0.00 0.00 42.46 38.76 1s3u s ILE 60 CO 0.56 0.54 1.57 -2.84 0.00 0.00 0.00 174.94 174.77 1s3u s PRO 61 N -0.87 4.15 0.30 2.79 0.02 -1.26 -4.82 135.00 135.32 1s3u s PRO 61 Ca 0.25 2.53 0.05 0.00 0.02 0.00 0.00 61.00 63.85 1s3u s PRO 61 Cb -0.17 -3.04 0.81 0.00 0.02 0.00 0.00 34.50 32.11 1s3u s PRO 61 CO 0.15 -0.60 1.63 1.49 -0.33 0.00 0.00 177.00 179.34 1s3u h GLU 62 N 4.94 0.17 -0.59 5.54 4.81 -1.94 0.24 114.58 127.76 1s3u h GLU 62 Ca -0.47 -0.01 0.17 0.00 -0.13 0.00 0.00 59.36 58.92 1s3u h GLU 62 Cb 1.22 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1s3u h GLU 62 CO 0.80 0.11 0.60 1.57 -0.73 0.00 0.00 179.01 181.35 1s3u h LYS 63 N 0.18 0.00 -0.28 1.92 5.09 -2.00 0.34 116.57 121.82 1s3u h LYS 63 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.34 1s3u h LYS 63 Cb 1.28 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.61 1s3u h LYS 63 CO -0.70 0.00 0.00 0.09 -2.09 0.00 0.00 179.45 176.75 1s3u n ASN 64 N -3.73 2.84 -4.47 7.07 3.02 0.84 -4.93 115.26 115.89 1s3u n ASN 64 Ca 0.12 -1.84 -0.33 0.00 -0.03 0.00 0.00 54.58 52.49 1s3u n ASN 64 Cb 0.82 -0.18 -0.13 0.00 -0.61 0.00 0.00 39.78 39.68 1s3u n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1s3u s ARG 65 N -1.11 3.43 0.80 3.52 0.52 0.12 -3.44 118.95 122.78 1s3u s ARG 65 Ca 0.26 -0.58 -0.12 0.00 -0.52 0.00 0.00 55.73 54.77 1s3u s ARG 65 Cb 0.15 -2.77 0.07 0.00 0.52 0.00 0.00 34.95 32.92 1s3u s ARG 65 CO 0.20 0.30 1.11 -1.25 0.02 0.00 0.00 175.30 175.68 1s3u s PRO 66 N 0.16 2.08 -0.19 3.54 0.04 -1.26 -4.89 135.00 134.48 1s3u s PRO 66 Ca -0.04 0.54 -0.29 0.00 0.04 0.00 0.00 61.00 61.25 1s3u s PRO 66 Cb -0.14 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1s3u s PRO 66 CO 0.04 -1.60 1.68 -0.51 0.04 0.00 0.00 177.00 176.65 1s3u s LEU 67 N -5.73 3.92 0.75 -3.56 1.43 -1.22 -4.94 118.68 109.33 1s3u s LEU 67 Ca 0.61 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.34 1s3u s LEU 67 Cb -0.14 -3.53 0.04 0.00 0.03 0.00 0.00 46.19 42.60 1s3u s LEU 67 CO 0.53 -1.28 1.08 -1.59 0.23 0.00 0.00 176.35 175.33 1s3u s LYS 68 N 4.75 2.43 0.00 1.70 -2.85 -1.26 -3.53 119.74 120.98 1s3u s LYS 68 Ca 0.75 0.88 0.00 0.00 -1.00 0.00 0.00 55.97 56.60 1s3u s LYS 68 Cb -0.27 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.56 1s3u s LYS 68 CO 0.30 -1.44 0.00 0.41 0.10 0.00 0.00 175.35 174.73 1s3u n GLY 69 N -1.83 0.88 3.04 0.59 0.00 -1.26 -4.97 105.19 101.64 1s3u n GLY 69 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1s3u n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s3u s ARG 70 N -0.04 0.46 -0.14 1.61 0.52 -1.23 -4.58 118.95 115.55 1s3u s ARG 70 Ca 0.00 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.08 1s3u s ARG 70 Cb 0.00 0.05 -0.01 0.00 0.52 0.00 0.00 34.95 35.51 1s3u s ARG 70 CO 0.00 -0.05 0.98 0.42 0.02 0.00 0.00 175.30 176.67 1s3u s ILE 71 N -2.24 4.78 -0.17 1.52 1.01 -0.37 -4.75 121.20 120.98 1s3u s ILE 71 Ca -0.07 1.96 -0.15 0.00 0.00 0.00 0.00 60.65 62.39 1s3u s ILE 71 Cb -0.04 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1s3u s ILE 71 CO -0.03 -0.03 0.33 0.20 0.00 0.00 0.00 174.94 175.42 1s3u s ASN 72 N 1.13 6.44 -0.15 3.58 0.02 -1.26 -1.67 114.94 123.02 1s3u s ASN 72 Ca 0.45 0.51 -0.00 0.00 -1.02 0.00 0.00 52.86 52.81 1s3u s ASN 72 Cb -0.17 -2.20 0.03 0.00 0.02 0.00 0.00 41.25 38.93 1s3u s ASN 72 CO 0.14 0.03 -0.08 -0.22 0.02 0.00 0.00 177.10 177.00 1s3u s LEU 73 N 0.78 1.57 -0.03 0.60 0.20 -0.46 -2.22 118.68 119.13 1s3u s LEU 73 Ca 0.18 -0.56 -0.03 0.00 0.69 0.00 0.00 54.13 54.41 1s3u s LEU 73 Cb -0.14 -0.96 -0.04 0.00 -0.43 0.00 0.00 46.19 44.62 1s3u s LEU 73 CO 0.06 -0.14 0.16 -0.69 -0.29 0.00 0.00 176.35 175.45 1s3u s VAL 74 N 1.61 5.36 -0.21 1.68 1.01 -0.63 -1.28 120.40 127.95 1s3u s VAL 74 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1s3u s VAL 74 Cb -0.14 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1s3u s VAL 74 CO -0.08 0.37 -0.05 -0.76 0.00 0.00 0.00 175.10 174.58 1s3u s LEU 75 N -1.78 2.87 -0.01 3.92 1.43 0.18 -0.88 118.68 124.41 1s3u s LEU 75 Ca 0.25 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.71 1s3u s LEU 75 Cb -0.12 -1.73 0.06 0.00 0.03 0.00 0.00 46.19 44.43 1s3u s LEU 75 CO 0.16 -0.00 0.57 -0.55 0.23 0.00 0.00 176.35 176.76 1s3u s SER 76 N 1.37 -0.52 -0.00 2.29 0.15 0.91 -3.16 113.70 114.73 1s3u s SER 76 Ca 0.04 0.45 0.08 0.00 0.70 0.00 0.00 55.95 57.22 1s3u s SER 76 Cb -0.14 0.49 -0.10 0.00 -1.71 0.00 0.00 66.02 64.56 1s3u s SER 76 CO -0.03 -0.62 0.31 0.54 1.20 0.00 0.00 173.24 174.64 1s3u n ARG 77 N 0.80 3.56 -0.07 5.44 1.74 -1.26 -3.58 116.66 123.29 1s3u n ARG 77 Ca -0.19 -0.01 -0.07 0.00 -0.77 0.00 0.00 57.85 56.80 1s3u n ARG 77 Cb 0.58 -0.94 -0.15 0.00 -1.02 0.00 0.00 32.46 30.92 1s3u n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1s3u n GLU 78 N -1.30 0.68 -2.46 5.56 1.02 -1.26 -4.92 120.64 117.95 1s3u n GLU 78 Ca 0.01 0.02 -0.37 0.00 -0.02 0.00 0.00 57.16 56.80 1s3u n GLU 78 Cb 0.14 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 1s3u n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s3u s LEU 79 N -5.48 4.19 -0.02 -4.62 1.43 -1.26 -4.92 118.68 108.00 1s3u s LEU 79 Ca -0.09 2.15 0.19 0.00 -1.03 0.00 0.00 54.13 55.35 1s3u s LEU 79 Cb 0.07 -4.09 -0.28 0.00 0.03 0.00 0.00 46.19 41.93 1s3u s LEU 79 CO 0.84 -0.52 0.45 0.29 0.23 0.00 0.00 176.35 177.64 1s3u n LYS 80 N 0.08 0.62 -3.92 1.70 4.76 -1.26 -4.96 118.16 115.19 1s3u n LYS 80 Ca 0.04 -0.15 -0.10 0.00 -2.87 0.00 0.00 58.31 55.23 1s3u n LYS 80 Cb 0.48 -1.43 -0.10 0.00 -1.84 0.00 0.00 35.03 32.14 1s3u n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1s3u s GLU 81 N -3.22 0.48 0.26 1.97 -1.05 -1.26 -5.11 118.70 110.77 1s3u s GLU 81 Ca -0.05 -0.58 -0.30 0.00 -0.15 0.00 0.00 54.97 53.89 1s3u s GLU 81 Cb 0.12 0.19 -0.14 0.00 -0.44 0.00 0.00 34.13 33.87 1s3u s GLU 81 CO 0.77 -0.11 1.24 -2.30 0.95 0.00 0.00 175.26 175.81 1s3u n PRO 82 N 1.23 1.75 -0.73 -4.83 -0.02 -1.26 -4.93 135.00 126.20 1s3u n PRO 82 Ca -0.22 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.56 1s3u n PRO 82 Cb 0.56 -2.16 0.15 0.00 -0.02 0.00 0.00 33.50 32.03 1s3u n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1s3u n PRO 83 N 1.33 -0.69 -1.71 0.52 -0.02 -1.26 -4.83 135.00 128.34 1s3u n PRO 83 Ca 0.10 -0.16 -0.43 0.00 -2.02 0.00 0.00 63.50 60.99 1s3u n PRO 83 Cb 0.31 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1s3u n PRO 83 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1s3u n GLN 84 N -2.43 2.53 0.00 -0.52 7.27 -1.26 -2.13 117.38 120.84 1s3u n GLN 84 Ca 0.06 0.91 0.00 0.00 0.07 0.00 0.00 57.00 58.04 1s3u n GLN 84 Cb 0.55 -2.70 0.00 0.00 2.41 0.00 0.00 30.24 30.50 1s3u n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1s3u n GLY 85 N 3.09 3.24 3.89 1.69 0.00 -1.26 -4.95 105.19 110.88 1s3u n GLY 85 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1s3u n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3u s ALA 86 N -2.41 3.31 -0.21 4.61 0.00 -0.90 -4.06 121.76 122.10 1s3u s ALA 86 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1s3u s ALA 86 Cb 0.00 -2.74 -0.20 0.00 0.00 0.00 0.00 23.12 20.17 1s3u s ALA 86 CO 0.00 -0.40 -0.01 0.72 0.00 0.00 0.00 175.76 176.08 1s3u n HIS 87 N -2.26 0.47 -4.01 0.00 -0.00 -1.12 -4.83 115.22 103.48 1s3u n HIS 87 Ca 0.02 0.10 -0.08 0.00 -0.00 0.00 0.00 57.72 57.76 1s3u n HIS 87 Cb 0.55 -1.06 -0.09 0.00 -0.00 0.00 0.00 29.99 29.39 1s3u n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1s3u s PHE 88 N -2.53 0.42 -0.01 4.41 0.08 -0.94 -5.02 117.98 114.38 1s3u s PHE 88 Ca -0.30 -0.90 0.03 0.00 0.12 0.00 0.00 56.93 55.88 1s3u s PHE 88 Cb 0.08 -0.27 -0.01 0.00 -0.57 0.00 0.00 43.02 42.26 1s3u s PHE 88 CO 0.66 -0.47 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.04 1s3u s LEU 89 N -2.91 2.00 0.15 -0.37 2.96 -1.26 -1.60 118.68 117.64 1s3u s LEU 89 Ca 0.08 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1s3u s LEU 89 Cb 0.07 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 1s3u s LEU 89 CO -0.09 0.13 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.59 1s3u s SER 90 N -0.21 1.31 -0.03 3.68 0.01 -0.06 -4.95 113.70 113.45 1s3u s SER 90 Ca 0.03 -1.09 0.06 0.00 1.31 0.00 0.00 55.95 56.26 1s3u s SER 90 Cb -0.05 0.08 -0.24 0.00 0.21 0.00 0.00 66.02 66.03 1s3u s SER 90 CO -0.00 -0.49 0.71 0.03 0.41 0.00 0.00 173.24 173.90 1s3u h ARG 91 N 2.79 0.09 -3.85 12.44 2.47 -1.87 0.26 114.38 126.70 1s3u h ARG 91 Ca -0.36 -0.15 -0.16 0.00 -1.26 0.00 0.00 59.98 58.05 1s3u h ARG 91 Cb 1.19 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 29.48 1s3u h ARG 91 CO 0.64 0.77 -0.14 -1.54 0.56 0.00 0.00 179.97 180.26 1s3u s SER 92 N -6.46 0.39 0.25 7.04 1.04 -1.26 -4.47 113.70 110.22 1s3u s SER 92 Ca -0.08 -1.23 0.13 0.00 0.48 0.00 0.00 55.95 55.25 1s3u s SER 92 Cb 0.08 0.64 0.15 0.00 0.10 0.00 0.00 66.02 66.98 1s3u s SER 92 CO 0.82 -1.25 1.47 0.25 0.98 0.00 0.00 173.24 175.51 1s3u h LEU 93 N 2.18 0.00 -0.44 2.42 6.46 -1.97 -0.83 115.31 123.13 1s3u h LEU 93 Ca -0.28 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.40 1s3u h LEU 93 Cb 1.25 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 1s3u h LEU 93 CO 0.38 0.65 -0.05 0.44 -0.62 0.00 0.00 178.44 179.25 1s3u h ASP 94 N 0.00 0.81 0.60 1.25 3.45 -1.97 -2.28 116.42 118.28 1s3u h ASP 94 Ca -0.01 -0.33 -0.19 0.00 0.43 0.00 0.00 57.03 56.93 1s3u h ASP 94 Cb 1.37 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.91 1s3u h ASP 94 CO 0.09 0.95 -0.86 0.44 -1.57 0.00 0.00 179.24 178.28 1s3u h ASP 95 N 0.65 0.23 0.28 6.45 3.32 -1.90 -2.43 116.42 123.02 1s3u h ASP 95 Ca 0.12 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 1s3u h ASP 95 Cb 0.56 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1s3u h ASP 95 CO 0.03 0.98 -0.46 0.00 -1.72 0.00 0.00 179.24 178.07 1s3u h ALA 96 N 1.01 1.05 0.11 3.45 0.00 -1.04 -2.65 119.26 121.18 1s3u h ALA 96 Ca -0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1s3u h ALA 96 Cb 1.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1s3u h ALA 96 CO 0.13 0.63 -0.05 -0.07 0.00 0.00 0.00 179.25 179.88 1s3u h LEU 97 N 0.19 -0.13 -1.81 0.00 3.38 -1.49 -3.15 115.31 112.30 1s3u h LEU 97 Ca 0.01 -0.36 0.32 0.00 0.09 0.00 0.00 57.88 57.94 1s3u h LEU 97 Cb 0.89 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 1s3u h LEU 97 CO 0.07 0.49 0.78 0.11 0.09 0.00 0.00 178.44 179.99 1s3u h LYS 98 N -0.95 0.11 -0.43 1.13 1.57 -1.40 0.50 116.57 117.10 1s3u h LYS 98 Ca -0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1s3u h LYS 98 Cb 0.47 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1s3u h LYS 98 CO 0.03 0.07 0.17 1.25 -0.57 0.00 0.00 179.45 180.39 1s3u h LEU 99 N 0.11 0.55 -0.50 2.94 6.46 -1.46 0.11 115.31 123.52 1s3u h LEU 99 Ca 0.57 -0.06 -0.17 0.00 -0.12 0.00 0.00 57.88 58.10 1s3u h LEU 99 Cb 2.01 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.79 1s3u h LEU 99 CO -0.10 0.51 -0.66 0.00 -0.62 0.00 0.00 178.44 177.57 1s3u h THR 100 N 0.61 1.37 -0.07 1.05 1.03 -0.08 -2.72 112.91 114.10 1s3u h THR 100 Ca 0.15 -2.03 0.00 0.00 -0.01 0.00 0.00 66.41 64.51 1s3u h THR 100 Cb 0.13 2.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.23 1s3u h THR 100 CO -0.01 0.61 0.00 -0.62 -0.01 0.00 0.00 175.52 175.49 1s3u n GLU 101 N -3.87 1.27 -2.08 0.00 -0.58 0.32 -3.10 120.64 112.60 1s3u n GLU 101 Ca -0.03 -0.41 -0.30 0.00 -0.42 0.00 0.00 57.16 55.99 1s3u n GLU 101 Cb 0.66 -1.31 0.01 0.00 -0.57 0.00 0.00 31.44 30.23 1s3u n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1s3u s GLN 102 N -1.91 3.60 0.00 3.49 -1.52 -0.86 -4.90 119.66 117.55 1s3u s GLN 102 Ca 0.27 0.62 0.22 0.00 -1.95 0.00 0.00 55.36 54.53 1s3u s GLN 102 Cb 0.14 -2.16 1.26 0.00 -0.22 0.00 0.00 33.01 32.03 1s3u s GLN 102 CO 0.22 -0.47 1.71 -2.30 -0.25 0.00 0.00 175.29 174.20 1s3u n PRO 103 N -2.59 0.57 0.32 2.91 -0.02 -1.26 0.03 135.00 134.95 1s3u n PRO 103 Ca 0.05 0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.43 1s3u n PRO 103 Cb 0.54 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.46 1s3u n PRO 103 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1s3u h GLU 104 N 0.00 -0.79 -0.14 -0.52 5.08 -1.90 -3.33 114.58 112.98 1s3u h GLU 104 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1s3u h GLU 104 Cb 0.07 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1s3u h GLU 104 CO 0.00 -0.53 0.00 1.28 -1.00 0.00 0.00 179.01 178.76 1s3u n LEU 105 N -4.57 2.59 -0.18 1.33 4.77 -1.17 -4.67 117.00 115.10 1s3u n LEU 105 Ca -0.10 -1.25 -0.05 0.00 -0.03 0.00 0.00 56.01 54.58 1s3u n LEU 105 Cb 0.32 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1s3u n LEU 105 CO 0.25 0.52 0.47 0.00 -1.33 0.00 0.00 177.39 177.29 1s3u n ALA 106 N 0.92 -0.27 1.03 -1.18 0.00 0.10 -1.74 120.51 119.38 1s3u n ALA 106 Ca 0.11 0.36 0.12 0.00 0.00 0.00 0.00 53.44 54.03 1s3u n ALA 106 Cb 0.43 0.20 0.32 0.00 0.00 0.00 0.00 19.45 20.40 1s3u n ALA 106 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1s3u n ASN 107 N -3.95 2.31 -0.02 0.00 0.23 -1.26 -4.26 115.26 108.31 1s3u n ASN 107 Ca 0.01 -1.79 0.07 0.00 -0.53 0.00 0.00 54.58 52.34 1s3u n ASN 107 Cb 0.11 -0.09 -0.13 0.00 -2.08 0.00 0.00 39.78 37.58 1s3u n ASN 107 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1s3u n LYS 108 N 0.77 0.63 -4.04 -3.83 4.76 -0.71 -4.91 118.16 110.81 1s3u n LYS 108 Ca 0.17 -0.14 -0.35 0.00 -2.87 0.00 0.00 58.31 55.12 1s3u n LYS 108 Cb 0.45 -1.41 -0.09 0.00 -1.84 0.00 0.00 35.03 32.14 1s3u n LYS 108 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1s3u s VAL 109 N -3.11 4.80 0.00 -0.18 1.01 -1.06 -0.82 120.40 121.04 1s3u s VAL 109 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1s3u s VAL 109 Cb 0.10 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1s3u s VAL 109 CO 0.72 0.50 0.00 -0.67 0.00 0.00 0.00 175.10 175.64 1s3u n ASP 110 N 3.16 0.00 -4.81 3.32 4.64 0.13 -3.11 116.55 119.88 1s3u n ASP 110 Ca -0.17 0.00 -0.30 0.00 -1.38 0.00 0.00 54.79 52.94 1s3u n ASP 110 Cb 0.53 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.55 1s3u n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 1s3u s MET 111 N 0.00 3.02 -0.15 -0.67 -1.94 -1.26 0.75 119.30 119.05 1s3u s MET 111 Ca 0.00 -0.65 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 1s3u s MET 111 Cb 0.00 -2.79 -0.00 0.00 2.01 0.00 0.00 34.83 34.04 1s3u s MET 111 CO 0.00 0.56 -0.16 0.54 -0.01 0.00 0.00 175.02 175.96 1s3u s VAL 112 N -1.47 2.66 -0.18 -6.03 0.11 0.13 -2.17 120.40 113.45 1s3u s VAL 112 Ca 0.31 -0.78 -0.03 0.00 -2.93 0.00 0.00 61.98 58.55 1s3u s VAL 112 Cb -0.12 -2.11 -0.02 0.00 -1.53 0.00 0.00 36.38 32.60 1s3u s VAL 112 CO 0.24 0.52 -0.06 0.26 -3.33 0.00 0.00 175.10 172.73 1s3u s TRP 113 N 0.72 2.95 -0.32 1.54 0.52 0.15 -0.96 118.94 123.52 1s3u s TRP 113 Ca -0.07 -0.66 -0.19 0.00 0.02 0.00 0.00 56.10 55.20 1s3u s TRP 113 Cb -0.16 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.15 1s3u s TRP 113 CO 0.01 -0.31 0.55 0.42 0.02 0.00 0.00 176.95 177.65 1s3u s ILE 114 N 0.89 4.99 -2.54 2.03 1.01 0.22 0.85 121.20 128.66 1s3u s ILE 114 Ca -0.01 0.59 0.22 0.00 0.00 0.00 0.00 60.65 61.45 1s3u s ILE 114 Cb -0.15 -3.96 0.30 0.00 0.01 0.00 0.00 42.46 38.67 1s3u s ILE 114 CO 0.01 -0.15 1.30 1.33 0.00 0.00 0.00 174.94 177.43 1s3u n VAL 115 N 5.39 0.29 0.00 2.92 0.24 -0.43 -2.04 118.33 124.69 1s3u n VAL 115 Ca -0.03 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1s3u n VAL 115 Cb 0.49 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 1s3u n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s3u n GLY 116 N 1.35 3.46 0.00 7.63 0.00 -1.26 -4.97 105.19 111.40 1s3u n GLY 116 Ca 0.16 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1s3u n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3u n GLY 117 N -1.86 1.73 0.21 -0.02 0.00 -1.26 -1.74 105.19 102.24 1s3u n GLY 117 Ca 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.07 1s3u n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s3u h SER 118 N 0.00 -0.10 -0.83 1.61 0.02 -1.98 0.79 113.55 113.06 1s3u h SER 118 Ca 0.00 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1s3u h SER 118 Cb 0.00 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1s3u h SER 118 CO 0.00 -0.03 0.54 0.77 -1.14 0.00 0.00 176.83 176.97 1s3u h SER 119 N 0.18 0.91 -0.22 3.07 4.64 -1.95 1.18 113.55 121.36 1s3u h SER 119 Ca 0.27 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.38 1s3u h SER 119 Cb 0.40 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1s3u h SER 119 CO -0.39 0.63 -0.64 0.58 -0.87 0.00 0.00 176.83 176.14 1s3u h VAL 120 N 1.07 1.28 -0.10 0.95 2.07 -1.42 -1.99 116.25 118.11 1s3u h VAL 120 Ca 0.32 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 1s3u h VAL 120 Cb -0.03 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1s3u h VAL 120 CO -0.10 0.59 0.04 1.88 0.02 0.00 0.00 177.57 180.00 1s3u h TYR 121 N 0.62 0.14 -0.92 1.57 0.99 0.15 -2.58 116.97 116.95 1s3u h TYR 121 Ca -0.01 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.78 1s3u h TYR 121 Cb 1.25 -0.04 -0.06 0.00 1.00 0.00 0.00 36.73 38.88 1s3u h TYR 121 CO 0.08 0.24 0.60 -0.22 -0.00 0.00 0.00 178.16 178.86 1s3u h LYS 122 N 0.00 0.99 0.00 4.88 3.64 0.15 -1.84 116.57 124.40 1s3u h LYS 122 Ca 0.03 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1s3u h LYS 122 Cb 0.16 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1s3u h LYS 122 CO -0.00 0.66 -0.27 1.49 -2.27 0.00 0.00 179.45 179.05 1s3u h GLU 123 N 1.02 0.00 -0.21 1.90 4.57 -1.17 -2.83 114.58 117.87 1s3u h GLU 123 Ca 0.40 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.42 1s3u h GLU 123 Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1s3u h GLU 123 CO -0.16 0.27 -0.49 0.00 -1.18 0.00 0.00 179.01 177.45 1s3u h ALA 124 N 1.73 0.34 0.00 2.92 0.00 -0.95 -2.36 119.26 120.94 1s3u h ALA 124 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1s3u h ALA 124 Cb 0.90 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1s3u h ALA 124 CO 0.04 0.51 0.00 0.52 0.00 0.00 0.00 179.25 180.32 1s3u h MET 125 N 0.41 0.00 0.00 0.00 2.86 -1.28 -1.50 114.93 115.42 1s3u h MET 125 Ca -0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1s3u h MET 125 Cb 1.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1s3u h MET 125 CO 0.11 0.00 -1.58 0.09 1.06 0.00 0.00 176.91 176.59 1s3u n ASN 126 N -2.75 0.58 -4.63 1.22 3.02 -1.08 -4.84 115.26 106.78 1s3u n ASN 126 Ca 0.00 0.25 -0.43 0.00 -0.03 0.00 0.00 54.58 54.37 1s3u n ASN 126 Cb 0.22 0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 1s3u n ASN 126 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1s3u s HIS 127 N -3.06 1.43 0.64 3.10 2.46 -0.57 -4.92 115.29 114.37 1s3u s HIS 127 Ca -0.04 0.16 -0.17 0.00 0.47 0.00 0.00 55.06 55.47 1s3u s HIS 127 Cb 0.09 -4.06 -0.01 0.00 -0.13 0.00 0.00 32.58 28.47 1s3u s HIS 127 CO 0.83 -4.39 1.17 -1.25 -2.47 0.00 0.00 174.74 168.63 1s3u s PRO 128 N 5.24 2.74 0.00 2.88 0.04 -1.26 -4.84 135.00 139.80 1s3u s PRO 128 Ca 0.89 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1s3u s PRO 128 Cb -0.35 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1s3u s PRO 128 CO 0.36 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1s3u n GLY 129 N 0.17 0.09 3.73 0.56 0.00 -1.26 -5.01 105.19 103.46 1s3u n GLY 129 Ca 0.12 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 1s3u n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s3u s HIS 130 N -0.30 3.61 -0.13 1.61 2.46 -1.26 -3.66 115.29 117.62 1s3u s HIS 130 Ca 0.00 1.60 -0.17 0.00 0.47 0.00 0.00 55.06 56.96 1s3u s HIS 130 Cb 0.00 -3.26 0.04 0.00 -0.13 0.00 0.00 32.58 29.24 1s3u s HIS 130 CO 0.00 -0.55 0.44 -1.17 -2.47 0.00 0.00 174.74 170.99 1s3u s LEU 131 N -0.16 0.31 -0.07 8.88 2.96 -0.88 -4.54 118.68 125.17 1s3u s LEU 131 Ca 0.50 0.73 0.03 0.00 -0.22 0.00 0.00 54.13 55.17 1s3u s LEU 131 Cb -0.28 1.58 0.01 0.00 0.50 0.00 0.00 46.19 47.99 1s3u s LEU 131 CO 0.34 -0.25 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.43 1s3u s LYS 132 N -0.19 1.91 -0.29 1.98 1.02 -1.15 -1.25 119.74 121.77 1s3u s LYS 132 Ca -0.04 -0.49 -0.11 0.00 0.02 0.00 0.00 55.97 55.35 1s3u s LYS 132 Cb -0.03 -1.55 -0.03 0.00 -0.52 0.00 0.00 37.83 35.69 1s3u s LYS 132 CO 0.02 0.06 0.18 -0.51 -0.92 0.00 0.00 175.35 174.18 1s3u s LEU 133 N 0.58 4.08 -0.61 3.17 1.02 0.97 -0.87 118.68 127.02 1s3u s LEU 133 Ca -0.15 -0.19 -0.08 0.00 0.02 0.00 0.00 54.13 53.73 1s3u s LEU 133 Cb -0.16 -2.09 0.16 0.00 0.02 0.00 0.00 46.19 44.12 1s3u s LEU 133 CO 0.05 -0.11 0.48 -0.36 0.02 0.00 0.00 176.35 176.43 1s3u s PHE 134 N 1.72 3.51 -0.15 0.29 0.40 -0.45 0.89 117.98 124.18 1s3u s PHE 134 Ca 0.06 -2.23 -0.07 0.00 -0.60 0.00 0.00 56.93 54.09 1s3u s PHE 134 Cb -0.16 -3.46 -0.04 0.00 0.51 0.00 0.00 43.02 39.86 1s3u s PHE 134 CO 0.09 -0.94 0.11 0.08 0.70 0.00 0.00 175.22 175.27 1s3u s VAL 135 N 0.53 5.22 -0.26 -0.44 1.01 0.24 -2.23 120.40 124.47 1s3u s VAL 135 Ca 0.13 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 1s3u s VAL 135 Cb -0.20 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1s3u s VAL 135 CO -0.04 0.53 0.11 -0.89 0.00 0.00 0.00 175.10 174.81 1s3u s THR 136 N -0.32 4.59 -0.37 3.92 2.01 0.24 -0.03 115.64 125.67 1s3u s THR 136 Ca 0.10 -0.12 -0.14 0.00 0.31 0.00 0.00 61.69 61.85 1s3u s THR 136 Cb -0.12 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1s3u s THR 136 CO 0.01 0.28 0.26 -0.13 -0.69 0.00 0.00 174.62 174.36 1s3u s ARG 137 N 1.65 3.20 -0.15 4.92 1.81 -0.23 -1.85 118.95 128.30 1s3u s ARG 137 Ca 0.06 -0.85 -0.23 0.00 -1.72 0.00 0.00 55.73 52.99 1s3u s ARG 137 Cb -0.16 -3.87 -0.02 0.00 -0.45 0.00 0.00 34.95 30.45 1s3u s ARG 137 CO 0.06 -0.60 0.73 0.42 -0.68 0.00 0.00 175.30 175.22 1s3u s ILE 138 N 1.69 4.97 -0.74 1.52 -1.09 -0.63 -1.19 121.20 125.73 1s3u s ILE 138 Ca 0.05 1.43 -0.05 0.00 -2.23 0.00 0.00 60.65 59.85 1s3u s ILE 138 Cb -0.18 -4.04 0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1s3u s ILE 138 CO 0.10 0.11 2.73 0.23 -1.23 0.00 0.00 174.94 176.88 1s3u n MET 139 N 4.81 3.12 -3.45 2.79 2.81 0.15 -2.27 117.12 125.09 1s3u n MET 139 Ca 0.01 -2.58 -0.14 0.00 -1.81 0.00 0.00 57.70 53.18 1s3u n MET 139 Cb 0.50 -2.31 -0.03 0.00 -0.71 0.00 0.00 33.22 30.66 1s3u n MET 139 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1s3u s GLN 140 N -1.16 1.22 0.35 0.03 -2.07 -1.26 -4.80 119.66 111.97 1s3u s GLN 140 Ca 0.59 -0.29 -0.23 0.00 -1.82 0.00 0.00 55.36 53.60 1s3u s GLN 140 Cb 0.31 0.56 -0.10 0.00 -1.09 0.00 0.00 33.01 32.69 1s3u s GLN 140 CO -0.16 -0.50 0.92 -0.51 -1.32 0.00 0.00 175.29 173.72 1s3u s ASP 141 N -2.35 7.16 -0.17 12.60 1.01 -1.26 0.04 116.67 133.71 1s3u s ASP 141 Ca -0.02 1.73 -0.13 0.00 0.71 0.00 0.00 52.55 54.84 1s3u s ASP 141 Cb -0.01 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.43 1s3u s ASP 141 CO -0.07 -0.16 0.42 -0.36 0.21 0.00 0.00 175.17 175.22 1s3u s PHE 142 N -1.80 -0.53 -0.01 4.23 0.08 -1.26 -4.90 117.98 113.78 1s3u s PHE 142 Ca 0.53 1.21 -0.30 0.00 0.12 0.00 0.00 56.93 58.50 1s3u s PHE 142 Cb -0.15 0.21 -0.08 0.00 -0.57 0.00 0.00 43.02 42.43 1s3u s PHE 142 CO 0.20 -0.28 1.96 -2.00 -0.10 0.00 0.00 175.22 175.00 1s3u s GLU 143 N 0.71 4.00 0.17 0.44 2.12 -1.26 -4.80 118.70 120.08 1s3u s GLU 143 Ca -0.04 2.46 0.05 0.00 0.36 0.00 0.00 54.97 57.80 1s3u s GLU 143 Cb -0.05 -4.17 -0.05 0.00 0.26 0.00 0.00 34.13 30.13 1s3u s GLU 143 CO -0.05 -1.10 -0.09 -1.12 -0.54 0.00 0.00 175.26 172.36 1s3u s SER 144 N 4.81 1.89 0.00 -1.70 0.01 -1.26 -4.70 113.70 112.76 1s3u s SER 144 Ca 0.88 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1s3u s SER 144 Cb -0.40 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.81 1s3u s SER 144 CO 0.39 -0.35 0.00 -0.90 0.41 0.00 0.00 173.24 172.79 1s3u n ASP 145 N -0.26 1.98 -4.21 2.44 5.68 0.12 -4.97 116.55 117.32 1s3u n ASP 145 Ca -0.09 -0.12 -0.23 0.00 -0.50 0.00 0.00 54.79 53.85 1s3u n ASP 145 Cb 0.61 0.63 -0.14 0.00 -1.14 0.00 0.00 41.12 41.09 1s3u n ASP 145 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1s3u s THR 146 N -1.03 1.45 0.21 2.12 -1.32 -1.17 -5.05 115.64 110.86 1s3u s THR 146 Ca 0.00 -1.17 0.04 0.00 -1.21 0.00 0.00 61.69 59.35 1s3u s THR 146 Cb 0.00 -1.29 -0.05 0.00 -1.51 0.00 0.00 72.50 69.65 1s3u s THR 146 CO 0.00 0.09 -0.03 -0.36 -2.21 0.00 0.00 174.62 172.11 1s3u s PHE 147 N -0.87 1.52 0.03 9.09 0.40 -1.26 -1.23 117.98 125.66 1s3u s PHE 147 Ca 0.05 -0.86 -0.20 0.00 -0.60 0.00 0.00 56.93 55.32 1s3u s PHE 147 Cb -0.09 -0.85 -0.06 0.00 0.51 0.00 0.00 43.02 42.53 1s3u s PHE 147 CO 0.02 0.02 0.57 0.12 0.70 0.00 0.00 175.22 176.64 1s3u s PHE 148 N -3.36 3.74 0.65 0.36 5.36 -0.53 -4.57 117.98 119.62 1s3u s PHE 148 Ca 0.26 1.21 -0.16 0.00 -0.96 0.00 0.00 56.93 57.27 1s3u s PHE 148 Cb 0.05 -2.54 -0.01 0.00 -0.34 0.00 0.00 43.02 40.18 1s3u s PHE 148 CO 0.07 0.47 1.16 -1.25 -1.46 0.00 0.00 175.22 174.21 1s3u s PRO 149 N -0.65 2.75 0.34 10.12 0.04 -1.26 -4.93 135.00 141.41 1s3u s PRO 149 Ca 0.29 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 1s3u s PRO 149 Cb -0.19 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 1s3u s PRO 149 CO 0.18 -1.33 1.36 -2.00 0.04 0.00 0.00 177.00 175.25 1s3u s GLU 150 N -3.78 4.28 -0.13 4.56 2.12 -1.26 -5.00 118.70 119.50 1s3u s GLU 150 Ca 0.72 2.32 -0.20 0.00 0.36 0.00 0.00 54.97 58.17 1s3u s GLU 150 Cb -0.25 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1s3u s GLU 150 CO 0.39 -0.30 0.58 0.42 -0.54 0.00 0.00 175.26 175.81 1s3u s ILE 151 N -1.09 5.10 -0.79 -3.70 1.01 -1.26 -5.03 121.20 115.45 1s3u s ILE 151 Ca 0.50 1.16 -0.18 0.00 0.00 0.00 0.00 60.65 62.13 1s3u s ILE 151 Cb -0.42 -3.92 0.13 0.00 0.01 0.00 0.00 42.46 38.27 1s3u s ILE 151 CO 0.56 0.24 0.93 -0.62 0.00 0.00 0.00 174.94 176.05 1s3u s ASP 152 N 0.84 6.49 0.33 3.58 3.68 -1.26 -4.88 116.67 125.46 1s3u s ASP 152 Ca 0.30 -1.90 0.20 0.00 2.13 0.00 0.00 52.55 53.27 1s3u s ASP 152 Cb -0.16 -2.34 1.07 0.00 -1.45 0.00 0.00 42.92 40.04 1s3u s ASP 152 CO 0.13 -1.02 1.57 0.18 0.13 0.00 0.00 175.17 176.16 1s3u n LEU 153 N 6.11 0.51 0.17 -1.34 4.77 -1.26 0.67 117.00 126.63 1s3u n LEU 153 Ca 0.10 0.71 0.12 0.00 -0.03 0.00 0.00 56.01 56.92 1s3u n LEU 153 Cb 0.47 -0.74 0.23 0.00 -2.33 0.00 0.00 43.42 41.04 1s3u n LEU 153 CO 0.50 -0.88 0.77 -0.33 -1.33 0.00 0.00 177.39 176.12 1s3u h GLU 154 N 0.00 0.00 0.00 3.23 4.39 -2.03 -3.34 114.58 116.83 1s3u h GLU 154 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1s3u h GLU 154 Cb 0.19 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1s3u h GLU 154 CO 0.00 0.00 -1.42 1.63 -1.16 0.00 0.00 179.01 178.06 1s3u n LYS 155 N -2.80 0.18 -3.56 2.33 5.02 0.86 -5.00 118.16 115.19 1s3u n LYS 155 Ca 0.04 0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 56.00 1s3u n LYS 155 Cb 0.50 -1.07 -0.10 0.00 -0.02 0.00 0.00 35.03 34.33 1s3u n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1s3u s TYR 156 N -2.14 3.24 0.10 2.13 1.51 0.21 -4.45 117.35 117.94 1s3u s TYR 156 Ca -0.10 0.19 -0.15 0.00 -1.01 0.00 0.00 57.07 55.99 1s3u s TYR 156 Cb 0.03 -2.40 -0.07 0.00 -0.11 0.00 0.00 41.96 39.41 1s3u s TYR 156 CO 0.16 -0.14 0.52 0.15 -1.11 0.00 0.00 175.55 175.13 1s3u s LYS 157 N 1.72 4.02 -0.20 -0.62 -0.14 -0.51 -4.26 119.74 119.75 1s3u s LYS 157 Ca 0.09 0.53 -0.22 0.00 -1.36 0.00 0.00 55.97 55.01 1s3u s LYS 157 Cb -0.16 -3.06 -0.02 0.00 -1.68 0.00 0.00 37.83 32.91 1s3u s LYS 157 CO 0.10 0.56 0.68 -1.17 -0.76 0.00 0.00 175.35 174.76 1s3u s LEU 158 N -1.60 4.14 0.39 3.17 2.96 -1.26 -1.38 118.68 125.10 1s3u s LEU 158 Ca 0.33 0.90 -0.25 0.00 -0.22 0.00 0.00 54.13 54.89 1s3u s LEU 158 Cb -0.16 -2.97 -0.09 0.00 0.50 0.00 0.00 46.19 43.47 1s3u s LEU 158 CO 0.18 -0.32 1.10 -0.76 -1.32 0.00 0.00 176.35 175.23 1s3u s LEU 159 N 2.07 4.18 0.42 -0.68 1.43 -0.72 -4.96 118.68 120.43 1s3u s LEU 159 Ca 0.31 2.18 0.23 0.00 -1.03 0.00 0.00 54.13 55.82 1s3u s LEU 159 Cb -0.16 -4.09 0.74 0.00 0.03 0.00 0.00 46.19 42.72 1s3u s LEU 159 CO 0.10 -0.56 1.75 -0.65 0.23 0.00 0.00 176.35 177.22 1s3u h PRO 160 N 2.62 0.00 -1.35 1.29 0.11 -1.96 -3.44 132.00 129.27 1s3u h PRO 160 Ca -0.48 0.00 0.28 0.00 0.11 0.00 0.00 66.00 65.91 1s3u h PRO 160 Cb 1.22 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.14 1s3u h PRO 160 CO 0.63 0.22 0.86 -1.83 -0.21 0.00 0.00 178.00 177.67 1s3u s GLU 161 N -3.47 0.23 -0.07 1.05 -1.05 -1.26 -5.06 118.70 109.07 1s3u s GLU 161 Ca 0.02 -0.08 -0.03 0.00 -0.15 0.00 0.00 54.97 54.73 1s3u s GLU 161 Cb 0.09 0.10 0.04 0.00 -0.44 0.00 0.00 34.13 33.92 1s3u s GLU 161 CO 0.65 -0.10 0.15 -0.47 0.95 0.00 0.00 175.26 176.44 1s3u s TYR 162 N -2.30 -0.17 0.12 4.83 5.04 -1.26 -5.08 117.35 118.53 1s3u s TYR 162 Ca 0.10 0.50 -0.33 0.00 -2.44 0.00 0.00 57.07 54.90 1s3u s TYR 162 Cb -0.01 -0.10 -0.13 0.00 0.35 0.00 0.00 41.96 42.07 1s3u s TYR 162 CO -0.04 -0.18 1.68 -0.35 -1.34 0.00 0.00 175.55 175.32 1s3u n PRO 163 N 4.33 2.30 -0.78 4.97 -0.04 -1.26 -1.43 135.00 143.09 1s3u n PRO 163 Ca -0.24 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1s3u n PRO 163 Cb 0.51 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1s3u n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s3u n GLY 164 N 3.74 0.60 3.12 0.55 0.00 -1.26 -5.04 105.19 106.89 1s3u n GLY 164 Ca 0.18 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1s3u n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s3u s VAL 165 N -2.00 1.45 0.01 1.61 1.01 -0.52 -5.11 120.40 116.86 1s3u s VAL 165 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1s3u s VAL 165 Cb 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1s3u s VAL 165 CO 0.00 0.42 1.04 -0.76 0.00 0.00 0.00 175.10 175.80 1s3u s LEU 166 N 0.28 4.37 0.29 3.92 1.02 -1.26 -4.64 118.68 122.66 1s3u s LEU 166 Ca -0.10 1.75 0.24 0.00 0.02 0.00 0.00 54.13 56.04 1s3u s LEU 166 Cb -0.14 -3.57 0.37 0.00 0.02 0.00 0.00 46.19 42.87 1s3u s LEU 166 CO 0.04 -0.32 1.48 0.28 0.02 0.00 0.00 176.35 177.85 1s3u h SER 167 N 6.81 0.00 -1.84 2.29 0.02 -1.95 -3.34 113.55 115.54 1s3u h SER 167 Ca -0.41 -0.03 -0.46 0.00 -0.84 0.00 0.00 61.79 60.05 1s3u h SER 167 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1s3u h SER 167 CO 0.77 0.02 -0.38 1.51 -1.14 0.00 0.00 176.83 177.60 1s3u s ASP 168 N -5.33 5.75 0.27 3.07 3.84 -1.26 -4.86 116.67 118.14 1s3u s ASP 168 Ca 0.06 -0.28 -0.30 0.00 -0.00 0.00 0.00 52.55 52.03 1s3u s ASP 168 Cb 0.09 -1.17 -0.13 0.00 -1.38 0.00 0.00 42.92 40.33 1s3u s ASP 168 CO 0.69 -0.38 1.40 0.52 -0.00 0.00 0.00 175.17 177.39 1s3u n VAL 169 N -1.53 1.20 -4.02 2.11 0.31 -1.26 -4.72 118.33 110.43 1s3u n VAL 169 Ca -0.01 -0.30 -0.23 0.00 -0.01 0.00 0.00 64.34 63.79 1s3u n VAL 169 Cb 0.59 -1.54 -0.06 0.00 -0.91 0.00 0.00 33.84 31.92 1s3u n VAL 169 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1s3u s GLN 170 N -0.76 2.42 -0.19 5.55 -1.52 0.39 -4.93 119.66 120.62 1s3u s GLN 170 Ca 0.65 -1.54 -0.13 0.00 -1.95 0.00 0.00 55.36 52.39 1s3u s GLN 170 Cb -0.62 -2.21 0.06 0.00 -0.22 0.00 0.00 33.01 30.02 1s3u s GLN 170 CO 0.52 0.06 0.48 -2.00 -0.25 0.00 0.00 175.29 174.11 1s3u s GLU 171 N -3.90 0.50 -0.25 2.91 2.12 -1.26 -0.67 118.70 118.16 1s3u s GLU 171 Ca 0.39 0.83 -0.16 0.00 0.36 0.00 0.00 54.97 56.40 1s3u s GLU 171 Cb -0.02 0.10 0.07 0.00 0.26 0.00 0.00 34.13 34.54 1s3u s GLU 171 CO 0.24 -0.13 0.61 -2.00 -0.54 0.00 0.00 175.26 173.44 1s3u s GLU 172 N 1.08 0.64 -1.47 4.30 2.12 -0.18 -4.91 118.70 120.28 1s3u s GLU 172 Ca -0.07 1.06 -0.08 0.00 0.36 0.00 0.00 54.97 56.25 1s3u s GLU 172 Cb -0.06 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.50 1s3u s GLU 172 CO -0.10 -0.14 0.76 1.63 -0.54 0.00 0.00 175.26 176.87 1s3u n LYS 173 N 4.02 -5.34 -0.82 4.30 5.02 -1.26 -1.34 118.16 122.73 1s3u n LYS 173 Ca -0.20 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1s3u n LYS 173 Cb 0.57 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 29.93 1s3u n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s3u n GLY 174 N -1.58 1.01 3.64 0.72 0.00 -1.26 -4.97 105.19 102.74 1s3u n GLY 174 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1s3u n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s3u s ILE 175 N -3.40 4.95 -0.07 -0.61 1.01 -0.45 -5.09 121.20 117.53 1s3u s ILE 175 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 1s3u s ILE 175 Cb 0.00 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 1s3u s ILE 175 CO 0.00 0.43 0.24 -0.54 0.00 0.00 0.00 174.94 175.07 1s3u s LYS 176 N 0.60 3.61 0.07 2.79 1.02 -1.26 -1.01 119.74 125.56 1s3u s LYS 176 Ca 0.05 0.06 -0.24 0.00 0.02 0.00 0.00 55.97 55.86 1s3u s LYS 176 Cb -0.13 -3.20 0.06 0.00 -0.52 0.00 0.00 37.83 34.05 1s3u s LYS 176 CO 0.01 0.74 0.58 1.52 -0.92 0.00 0.00 175.35 177.28 1s3u s TYR 177 N -1.06 -0.51 0.19 3.18 -0.85 0.16 0.33 117.35 118.78 1s3u s TYR 177 Ca 0.19 0.56 0.06 0.00 -0.52 0.00 0.00 57.07 57.35 1s3u s TYR 177 Cb -0.14 0.43 -0.05 0.00 0.38 0.00 0.00 41.96 42.59 1s3u s TYR 177 CO 0.08 -0.71 -0.11 -1.59 -1.52 0.00 0.00 175.55 171.70 1s3u s LYS 178 N -2.65 1.23 -0.15 -3.49 -2.85 -0.34 0.15 119.74 111.64 1s3u s LYS 178 Ca -0.04 -1.55 -0.09 0.00 -1.00 0.00 0.00 55.97 53.29 1s3u s LYS 178 Cb -0.01 -0.86 -0.04 0.00 -2.06 0.00 0.00 37.83 34.86 1s3u s LYS 178 CO -0.03 0.10 0.14 -0.06 0.10 0.00 0.00 175.35 175.60 1s3u s PHE 179 N -3.17 3.52 0.05 1.78 0.40 -1.26 -1.06 117.98 118.23 1s3u s PHE 179 Ca 0.21 0.45 0.03 0.00 -0.60 0.00 0.00 56.93 57.02 1s3u s PHE 179 Cb 0.02 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1s3u s PHE 179 CO 0.05 0.54 -0.09 -1.21 0.70 0.00 0.00 175.22 175.20 1s3u s GLU 180 N -0.41 0.60 -0.10 0.44 2.02 0.96 -4.79 118.70 117.42 1s3u s GLU 180 Ca 0.12 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.37 1s3u s GLU 180 Cb -0.12 -0.44 0.01 0.00 0.10 0.00 0.00 34.13 33.68 1s3u s GLU 180 CO 0.02 0.09 -0.19 0.08 0.02 0.00 0.00 175.26 175.28 1s3u s VAL 181 N -1.27 1.71 0.11 2.63 1.01 -1.26 0.82 120.40 124.16 1s3u s VAL 181 Ca -0.07 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.22 1s3u s VAL 181 Cb -0.09 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1s3u s VAL 181 CO 0.01 0.48 -0.26 -0.31 0.00 0.00 0.00 175.10 175.02 1s3u s TYR 182 N 0.70 2.25 -0.02 5.22 1.51 0.26 -1.76 117.35 125.50 1s3u s TYR 182 Ca -0.12 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1s3u s TYR 182 Cb -0.16 -1.24 0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1s3u s TYR 182 CO 0.03 0.29 -0.01 -2.00 -1.11 0.00 0.00 175.55 172.75 1s3u s GLU 183 N -1.90 0.26 0.27 -0.62 2.12 -0.48 -0.02 118.70 118.32 1s3u s GLU 183 Ca 0.13 0.03 0.09 0.00 0.36 0.00 0.00 54.97 55.58 1s3u s GLU 183 Cb -0.10 -0.39 -0.05 0.00 0.26 0.00 0.00 34.13 33.85 1s3u s GLU 183 CO 0.05 -0.08 -0.13 0.21 -0.54 0.00 0.00 175.26 174.77 1s3u s LYS 184 N 0.70 1.56 -0.31 4.30 2.20 -0.38 -1.42 119.74 126.40 1s3u s LYS 184 Ca -0.07 -1.75 -0.10 0.00 -0.36 0.00 0.00 55.97 53.69 1s3u s LYS 184 Cb -0.10 -1.40 0.19 0.00 -1.51 0.00 0.00 37.83 35.01 1s3u s LYS 184 CO -0.01 0.18 1.02 1.21 -0.36 0.00 0.00 175.35 177.39 1s3u s ASN 185 N -3.45 -0.45 0.00 1.43 3.04 -1.26 -2.07 114.94 112.17 1s3u s ASN 185 Ca 0.28 -0.02 0.00 0.00 0.04 0.00 0.00 52.86 53.16 1s3u s ASN 185 Cb -0.00 1.09 0.00 0.00 -1.54 0.00 0.00 41.25 40.80 1s3u s ASN 185 CO 0.12 -0.07 0.00 -0.90 -3.04 0.00 0.00 177.10 173.21