#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xed s ILE 4 N 0.00 3.06 0.13 4.25 1.01 -1.26 -4.03 121.20 124.36 1xed s ILE 4 Ca 0.00 -1.42 0.08 0.00 0.00 0.00 0.00 60.65 59.32 1xed s ILE 4 Cb 0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1xed s ILE 4 CO 0.00 -0.15 -0.14 0.12 0.00 0.00 0.00 174.94 174.77 1xed s PHE 5 N 1.25 2.61 0.00 3.97 5.36 -0.73 -4.60 117.98 125.84 1xed s PHE 5 Ca -0.04 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.71 1xed s PHE 5 Cb -0.20 -1.36 0.00 0.00 -0.34 0.00 0.00 43.02 41.12 1xed s PHE 5 CO -0.01 0.42 0.00 0.41 -1.46 0.00 0.00 175.22 174.58 1xed n GLY 6 N 0.62 1.84 3.59 13.12 0.00 -1.26 0.26 105.19 123.34 1xed n GLY 6 Ca -0.14 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1xed n GLY 6 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xed s PRO 7 N 0.71 3.68 0.43 1.61 0.05 -1.26 -4.91 135.00 135.31 1xed s PRO 7 Ca 0.00 0.42 0.10 0.00 0.05 0.00 0.00 61.00 61.56 1xed s PRO 7 Cb 0.00 -3.89 0.96 0.00 0.05 0.00 0.00 34.50 31.62 1xed s PRO 7 CO 0.00 -1.20 2.06 1.49 0.05 0.00 0.00 177.00 179.39 1xed h GLU 8 N 8.96 0.43 -3.38 4.56 4.81 -1.94 -3.41 114.58 124.60 1xed h GLU 8 Ca -0.23 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 58.77 1xed h GLU 8 Cb 1.07 -0.10 -0.27 0.00 0.63 0.00 0.00 28.75 30.08 1xed h GLU 8 CO 1.05 0.28 -0.56 -1.21 -0.73 0.00 0.00 179.01 177.85 1xed s GLU 9 N -5.41 0.16 -0.06 1.92 2.02 -1.26 -1.56 118.70 114.50 1xed s GLU 9 Ca -0.08 0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.13 1xed s GLU 9 Cb 0.18 0.06 0.02 0.00 0.10 0.00 0.00 34.13 34.49 1xed s GLU 9 CO 0.73 -0.03 -0.06 0.08 0.02 0.00 0.00 175.26 176.00 1xed s VAL 10 N 0.17 0.70 0.01 2.63 1.01 0.56 -4.93 120.40 120.55 1xed s VAL 10 Ca -0.01 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1xed s VAL 10 Cb -0.02 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1xed s VAL 10 CO -0.00 0.28 -0.20 0.20 0.00 0.00 0.00 175.10 175.38 1xed s ASN 11 N 1.16 3.62 0.34 3.32 0.01 -1.26 -0.61 114.94 121.51 1xed s ASN 11 Ca -0.07 -0.40 -0.04 0.00 -0.71 0.00 0.00 52.86 51.64 1xed s ASN 11 Cb -0.14 -0.57 0.01 0.00 0.41 0.00 0.00 41.25 40.96 1xed s ASN 11 CO -0.01 0.29 0.51 -0.55 -1.51 0.00 0.00 177.10 175.83 1xed s SER 12 N -1.07 0.77 -0.05 -1.22 0.15 0.12 -4.96 113.70 107.45 1xed s SER 12 Ca 0.12 -1.42 0.05 0.00 0.70 0.00 0.00 55.95 55.40 1xed s SER 12 Cb -0.10 0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 64.87 1xed s SER 12 CO 0.02 -1.33 -0.20 -0.69 1.20 0.00 0.00 173.24 172.24 1xed s VAL 13 N -3.02 2.52 0.14 4.45 1.01 -1.26 0.82 120.40 125.07 1xed s VAL 13 Ca 0.28 -0.92 -0.34 0.00 0.00 0.00 0.00 61.98 61.00 1xed s VAL 13 Cb -0.01 -1.94 -0.15 0.00 0.00 0.00 0.00 36.38 34.27 1xed s VAL 13 CO 0.19 0.58 1.36 1.21 0.00 0.00 0.00 175.10 178.44 1xed n GLU 14 N 2.55 1.49 0.00 2.72 2.13 0.10 -1.62 120.64 128.02 1xed n GLU 14 Ca -0.17 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1xed n GLU 14 Cb 0.52 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1xed n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xed n GLY 15 N 2.56 1.97 3.99 8.31 0.00 0.13 -4.45 105.19 117.69 1xed n GLY 15 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1xed n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xed s ASN 16 N -1.50 3.95 0.08 1.61 0.01 -0.64 -4.47 114.94 113.99 1xed s ASN 16 Ca 0.00 -0.41 0.09 0.00 -0.71 0.00 0.00 52.86 51.83 1xed s ASN 16 Cb 0.00 0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.82 1xed s ASN 16 CO 0.00 -2.15 -0.22 -0.44 -1.51 0.00 0.00 177.10 172.78 1xed s SER 17 N -4.84 3.55 0.05 -1.22 0.01 -1.26 -0.00 113.70 109.99 1xed s SER 17 Ca 0.70 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 57.39 1xed s SER 17 Cb -0.04 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.74 1xed s SER 17 CO 0.47 0.22 -0.05 0.54 0.41 0.00 0.00 173.24 174.83 1xed s VAL 18 N -0.98 0.33 -0.06 3.43 0.11 -0.11 -5.00 120.40 118.13 1xed s VAL 18 Ca 0.14 -1.35 0.04 0.00 -2.93 0.00 0.00 61.98 57.89 1xed s VAL 18 Cb -0.10 -0.90 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1xed s VAL 18 CO 0.06 -0.66 -0.18 -0.44 -3.33 0.00 0.00 175.10 170.55 1xed s SER 19 N -2.12 2.30 -0.16 3.54 0.01 -1.26 -0.74 113.70 115.27 1xed s SER 19 Ca -0.04 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 56.85 1xed s SER 19 Cb -0.03 -0.76 0.02 0.00 0.21 0.00 0.00 66.02 65.46 1xed s SER 19 CO -0.04 0.14 -0.20 -0.63 0.41 0.00 0.00 173.24 172.93 1xed s ILE 20 N 0.15 2.01 -0.18 1.44 1.01 0.02 -4.96 121.20 120.69 1xed s ILE 20 Ca -0.07 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 1xed s ILE 20 Cb -0.13 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1xed s ILE 20 CO 0.03 0.53 -0.03 -0.89 0.00 0.00 0.00 174.94 174.59 1xed s THR 21 N 1.12 3.78 -0.05 2.92 2.01 -1.26 -1.14 115.64 123.03 1xed s THR 21 Ca 0.00 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 61.68 1xed s THR 21 Cb -0.14 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 1xed s THR 21 CO -0.09 0.46 -0.21 0.00 -0.69 0.00 0.00 174.62 174.09 1xed s TYR 23 N -0.49 3.03 0.13 0.00 1.51 0.14 -1.98 117.35 119.68 1xed s TYR 23 Ca 0.06 0.04 -0.07 0.00 -1.01 0.00 0.00 57.07 56.09 1xed s TYR 23 Cb -0.11 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 1xed s TYR 23 CO 0.01 0.45 0.19 1.52 -1.11 0.00 0.00 175.55 176.61 1xed s TYR 24 N -1.13 0.43 -0.16 2.71 -0.85 0.14 -1.77 117.35 116.71 1xed s TYR 24 Ca 0.21 -0.83 -0.29 0.00 -0.52 0.00 0.00 57.07 55.64 1xed s TYR 24 Cb -0.11 -0.17 -0.05 0.00 0.38 0.00 0.00 41.96 42.01 1xed s TYR 24 CO 0.12 -0.60 1.82 -2.14 -1.52 0.00 0.00 175.55 173.23 1xed s PRO 25 N -3.95 3.73 0.00 -3.49 0.02 -1.26 -4.53 135.00 125.52 1xed s PRO 25 Ca 0.14 1.95 -0.01 0.00 0.02 0.00 0.00 61.00 63.10 1xed s PRO 25 Cb 0.05 -4.14 -0.04 0.00 0.02 0.00 0.00 34.50 30.39 1xed s PRO 25 CO -0.04 -1.40 1.27 -0.35 -0.33 0.00 0.00 177.00 176.15 1xed n PRO 26 N 7.87 0.62 -1.27 5.54 -0.04 -1.26 -4.67 135.00 141.79 1xed n PRO 26 Ca 0.21 -0.15 -0.30 0.00 -0.04 0.00 0.00 63.50 63.22 1xed n PRO 26 Cb 0.44 -1.42 0.11 0.00 -0.04 0.00 0.00 33.50 32.59 1xed n PRO 26 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xed s THR 27 N 1.39 3.05 0.16 0.52 -4.23 -1.26 -4.82 115.64 110.45 1xed s THR 27 Ca 0.10 0.34 -0.18 0.00 -1.18 0.00 0.00 61.69 60.77 1xed s THR 27 Cb 0.05 -2.85 0.07 0.00 1.34 0.00 0.00 72.50 71.11 1xed s THR 27 CO 0.00 -0.45 1.66 -1.28 -0.54 0.00 0.00 174.62 174.02 1xed h SER 28 N -1.29 -0.43 -0.14 3.99 0.87 -2.01 -2.38 113.55 112.15 1xed h SER 28 Ca -0.46 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1xed h SER 28 Cb 1.26 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.47 1xed h SER 28 CO 0.53 -0.16 0.05 -0.37 -0.53 0.00 0.00 176.83 176.36 1xed h VAL 29 N -0.05 1.17 -0.83 2.23 -1.51 -1.95 -3.10 116.25 112.21 1xed h VAL 29 Ca 0.18 -0.50 0.10 0.00 -1.23 0.00 0.00 66.70 65.24 1xed h VAL 29 Cb 0.32 1.24 -0.06 0.00 -2.13 0.00 0.00 31.29 30.65 1xed h VAL 29 CO -0.39 0.15 0.54 0.78 -1.23 0.00 0.00 177.57 177.42 1xed h ASN 30 N 0.06 0.69 0.04 4.19 2.35 -1.78 -1.69 115.58 119.45 1xed h ASN 30 Ca 0.05 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1xed h ASN 30 Cb 0.19 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1xed h ASN 30 CO -0.00 0.40 0.00 0.03 -1.65 0.00 0.00 177.43 176.21 1xed h ARG 31 N 0.76 0.00 0.00 0.81 3.08 -1.35 -2.07 114.38 115.61 1xed h ARG 31 Ca 0.39 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.37 1xed h ARG 31 Cb 0.48 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.39 1xed h ARG 31 CO -0.16 0.00 -0.62 -2.39 -1.07 0.00 0.00 179.97 175.74 1xed n HIS 32 N -2.66 0.00 -3.99 3.04 1.44 -0.67 -4.78 115.22 107.60 1xed n HIS 32 Ca -0.02 -0.78 -0.36 0.00 -2.01 0.00 0.00 57.72 54.55 1xed n HIS 32 Cb 0.06 -0.16 -0.08 0.00 0.12 0.00 0.00 29.99 29.93 1xed n HIS 32 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1xed s THR 33 N -1.41 5.06 0.08 0.61 2.01 -0.78 -5.05 115.64 116.16 1xed s THR 33 Ca 0.28 0.05 -0.34 0.00 0.31 0.00 0.00 61.69 62.00 1xed s THR 33 Cb 0.29 -3.23 -0.18 0.00 0.01 0.00 0.00 72.50 69.40 1xed s THR 33 CO -0.08 0.55 0.81 -1.14 -0.69 0.00 0.00 174.62 174.07 1xed n ARG 34 N 2.65 0.00 -4.81 4.92 0.63 -1.26 -4.59 116.66 114.20 1xed n ARG 34 Ca -0.18 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.42 1xed n ARG 34 Cb 0.54 -1.24 -0.14 0.00 0.45 0.00 0.00 32.46 32.07 1xed n ARG 34 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1xed s LYS 35 N -0.38 2.96 0.05 -0.14 -0.14 -1.26 -0.04 119.74 120.79 1xed s LYS 35 Ca 0.77 -0.68 -0.01 0.00 -1.36 0.00 0.00 55.97 54.69 1xed s LYS 35 Cb -1.08 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 1xed s LYS 35 CO 0.54 0.43 -0.03 1.52 -0.76 0.00 0.00 175.35 177.05 1xed s TYR 36 N -0.20 0.53 -0.13 3.18 -0.85 -0.34 -0.63 117.35 118.91 1xed s TYR 36 Ca 0.01 -1.04 -0.02 0.00 -0.52 0.00 0.00 57.07 55.49 1xed s TYR 36 Cb -0.13 -0.39 0.04 0.00 0.38 0.00 0.00 41.96 41.86 1xed s TYR 36 CO 0.03 -0.36 0.01 -0.46 -1.52 0.00 0.00 175.55 173.25 1xed s TRP 37 N -3.82 0.87 0.18 -3.49 -0.11 -0.65 -1.66 118.94 110.27 1xed s TRP 37 Ca 0.06 -0.50 0.04 0.00 1.22 0.00 0.00 56.10 56.92 1xed s TRP 37 Cb 0.07 -0.92 -0.05 0.00 -1.50 0.00 0.00 33.47 31.07 1xed s TRP 37 CO -0.09 -0.46 -0.04 0.00 -4.62 0.00 0.00 176.95 171.73 1xed s ARG 39 N -3.83 3.13 -0.34 0.00 3.52 -0.43 -0.77 118.95 120.23 1xed s ARG 39 Ca 0.23 -0.52 -0.29 0.00 -0.13 0.00 0.00 55.73 55.02 1xed s ARG 39 Cb 0.04 -2.74 0.02 0.00 -1.56 0.00 0.00 34.95 30.71 1xed s ARG 39 CO 0.04 0.51 1.09 -0.65 -0.81 0.00 0.00 175.30 175.49 1xed s GLN 40 N -0.39 4.01 -0.12 5.12 -0.21 0.35 -0.69 119.66 127.73 1xed s GLN 40 Ca 0.06 1.00 -0.00 0.00 0.02 0.00 0.00 55.36 56.44 1xed s GLN 40 Cb -0.12 -3.77 0.02 0.00 1.00 0.00 0.00 33.01 30.15 1xed s GLN 40 CO 0.02 -0.98 -0.08 0.00 -2.12 0.00 0.00 175.29 172.13 1xed s ILE 47 N 1.68 5.25 0.17 0.00 1.09 0.13 -4.89 121.20 124.63 1xed s ILE 47 Ca 0.05 0.59 -0.32 0.00 -1.10 0.00 0.00 60.65 59.88 1xed s ILE 47 Cb -0.13 -3.67 -0.10 0.00 -1.06 0.00 0.00 42.46 37.50 1xed s ILE 47 CO -0.08 0.30 1.60 -0.89 -0.10 0.00 0.00 174.94 175.77 1xed s THR 48 N 1.06 2.49 -0.24 2.92 2.01 -1.26 -1.31 115.64 121.31 1xed s THR 48 Ca 0.17 0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.55 1xed s THR 48 Cb -0.14 -3.22 -0.16 0.00 0.01 0.00 0.00 72.50 68.98 1xed s THR 48 CO 0.06 0.03 -0.19 0.18 -0.69 0.00 0.00 174.62 174.01 1xed n LEU 49 N 3.97 2.74 -3.60 4.42 4.77 0.27 -4.61 117.00 124.96 1xed n LEU 49 Ca 0.14 -0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1xed n LEU 49 Cb 0.38 -0.73 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 1xed n LEU 49 CO 0.62 0.87 0.44 -0.51 -1.33 0.00 0.00 177.39 177.47 1xed s ILE 50 N -2.48 0.00 0.12 -0.08 2.07 -1.12 -0.29 121.20 119.42 1xed s ILE 50 Ca -0.30 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 58.96 1xed s ILE 50 Cb 0.08 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 1xed s ILE 50 CO 0.57 0.00 -0.06 -0.55 -1.91 0.00 0.00 174.94 172.99 1xed s SER 51 N -0.02 1.26 0.00 4.50 0.15 0.23 -1.63 113.70 118.19 1xed s SER 51 Ca -0.03 -1.04 0.29 0.00 0.70 0.00 0.00 55.95 55.88 1xed s SER 51 Cb -0.04 0.08 1.50 0.00 -1.71 0.00 0.00 66.02 65.85 1xed s SER 51 CO 0.03 -0.46 2.02 -1.54 1.20 0.00 0.00 173.24 174.49 1xed n SER 52 N -0.10 0.00 -0.38 5.45 3.41 0.20 -3.01 113.62 119.18 1xed n SER 52 Ca -0.11 -0.20 0.14 0.00 -0.26 0.00 0.00 58.87 58.44 1xed n SER 52 Cb 0.61 -0.26 0.57 0.00 -0.26 0.00 0.00 64.21 64.87 1xed n SER 52 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1xed n GLU 53 N -1.26 1.47 0.00 4.33 -0.00 -1.26 -4.87 120.64 119.05 1xed n GLU 53 Ca 0.15 -0.77 0.00 0.00 -0.00 0.00 0.00 57.16 56.54 1xed n GLU 53 Cb 0.22 -1.48 0.00 0.00 -0.00 0.00 0.00 31.44 30.18 1xed n GLU 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xed n GLY 54 N 1.17 0.98 3.75 -1.84 0.00 -1.19 -5.12 105.19 102.94 1xed n GLY 54 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1xed n GLY 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xed s TYR 55 N -2.00 3.86 -0.15 1.61 5.04 -1.17 -4.94 117.35 119.60 1xed s TYR 55 Ca 0.00 1.73 -0.06 0.00 -2.44 0.00 0.00 57.07 56.30 1xed s TYR 55 Cb 0.00 -2.94 0.07 0.00 0.35 0.00 0.00 41.96 39.44 1xed s TYR 55 CO 0.00 0.34 0.32 0.54 -1.34 0.00 0.00 175.55 175.41 1xed s VAL 56 N -0.49 -0.35 0.87 3.14 0.11 -1.26 0.75 120.40 123.17 1xed s VAL 56 Ca 0.42 0.20 -0.11 0.00 -2.93 0.00 0.00 61.98 59.56 1xed s VAL 56 Cb -0.23 -0.51 0.12 0.00 -1.53 0.00 0.00 36.38 34.22 1xed s VAL 56 CO 0.28 0.08 1.10 -0.94 -3.33 0.00 0.00 175.10 172.29 1xed s SER 57 N 2.12 3.57 0.64 3.54 1.04 0.61 -4.75 113.70 120.46 1xed s SER 57 Ca -0.03 1.72 0.42 0.00 0.48 0.00 0.00 55.95 58.54 1xed s SER 57 Cb -0.11 -2.37 2.19 0.00 0.10 0.00 0.00 66.02 65.83 1xed s SER 57 CO -0.10 -2.61 2.28 0.77 0.98 0.00 0.00 173.24 174.55 1xed h SER 58 N -1.53 0.00 0.51 7.02 4.64 -1.95 -1.46 113.55 120.78 1xed h SER 58 Ca -0.47 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.63 1xed h SER 58 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1xed h SER 58 CO 0.51 0.00 -0.95 0.11 -0.87 0.00 0.00 176.83 175.63 1xed h LYS 59 N 0.00 0.28 0.00 4.77 6.56 -1.90 -3.32 116.57 122.96 1xed h LYS 59 Ca 0.00 -0.32 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 1xed h LYS 59 Cb 0.11 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 1xed h LYS 59 CO 0.00 1.04 -1.30 0.66 -2.06 0.00 0.00 179.45 177.79 1xed n TYR 60 N -3.67 0.18 -1.68 -1.35 0.53 -0.83 -4.82 117.16 105.52 1xed n TYR 60 Ca -0.05 0.05 -0.48 0.00 -1.02 0.00 0.00 57.90 56.40 1xed n TYR 60 Cb 0.85 -0.40 -0.05 0.00 -1.03 0.00 0.00 39.34 38.71 1xed n TYR 60 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1xed n ALA 61 N -1.91 0.94 0.00 -0.72 0.00 -0.61 -1.54 120.51 116.67 1xed n ALA 61 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1xed n ALA 61 Cb 0.46 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1xed n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xed n GLY 62 N 4.09 3.14 0.24 0.00 0.00 -1.26 -4.78 105.19 106.62 1xed n GLY 62 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1xed n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xed n ARG 63 N -1.56 0.86 -3.47 1.61 -4.01 -0.59 -5.01 116.66 104.49 1xed n ARG 63 Ca 0.00 -1.15 -0.11 0.00 -1.04 0.00 0.00 57.85 55.55 1xed n ARG 63 Cb 0.00 -1.11 -0.03 0.00 -3.04 0.00 0.00 32.46 28.28 1xed n ARG 63 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1xed s ALA 64 N -0.64 -1.73 0.31 2.89 0.00 -0.85 0.11 121.76 121.85 1xed s ALA 64 Ca 0.08 0.86 -0.07 0.00 0.00 0.00 0.00 51.96 52.83 1xed s ALA 64 Cb 0.05 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.67 1xed s ALA 64 CO 0.07 -0.67 0.49 0.54 0.00 0.00 0.00 175.76 176.19 1xed s ASN 65 N -2.37 0.48 -0.07 0.00 6.03 -0.53 -4.74 114.94 113.74 1xed s ASN 65 Ca 0.01 -1.28 0.02 0.00 -1.03 0.00 0.00 52.86 50.59 1xed s ASN 65 Cb -0.01 0.64 0.01 0.00 -3.03 0.00 0.00 41.25 38.87 1xed s ASN 65 CO -0.08 -1.26 -0.14 -0.22 -2.03 0.00 0.00 177.10 173.37 1xed s LEU 66 N -3.15 1.71 -0.24 3.54 0.20 -1.26 -1.32 118.68 118.15 1xed s LEU 66 Ca 0.27 -0.34 -0.08 0.00 0.69 0.00 0.00 54.13 54.67 1xed s LEU 66 Cb -0.01 -0.91 -0.04 0.00 -0.43 0.00 0.00 46.19 44.81 1xed s LEU 66 CO 0.16 0.05 0.11 -0.89 -0.29 0.00 0.00 176.35 175.48 1xed s THR 67 N 0.62 4.72 -0.26 3.68 2.01 0.36 -4.95 115.64 121.82 1xed s THR 67 Ca -0.15 -0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 1xed s THR 67 Cb -0.16 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1xed s THR 67 CO 0.04 0.34 0.10 0.21 -0.69 0.00 0.00 174.62 174.62 1xed s ASN 68 N 1.40 5.32 -0.60 3.53 3.04 -1.26 0.55 114.94 126.91 1xed s ASN 68 Ca 0.06 -0.24 0.06 0.00 0.04 0.00 0.00 52.86 52.78 1xed s ASN 68 Cb -0.15 -1.96 0.23 0.00 -1.54 0.00 0.00 41.25 37.83 1xed s ASN 68 CO 0.05 -0.06 0.65 0.49 -3.04 0.00 0.00 177.10 175.19 1xed n PHE 69 N 4.95 2.73 -0.05 0.43 0.99 -0.19 -4.96 117.46 121.36 1xed n PHE 69 Ca -0.15 -4.05 -0.08 0.00 -0.00 0.00 0.00 57.45 53.17 1xed n PHE 69 Cb 0.51 -0.50 -0.02 0.00 -1.00 0.00 0.00 39.48 38.47 1xed n PHE 69 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1xed h PRO 70 N 4.40 -0.11 -0.84 -1.08 0.11 -1.87 -2.00 132.00 130.62 1xed h PRO 70 Ca 0.17 0.01 0.24 0.00 0.11 0.00 0.00 66.00 66.53 1xed h PRO 70 Cb 0.72 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 1xed h PRO 70 CO 0.74 -0.07 0.87 0.93 -0.21 0.00 0.00 178.00 180.26 1xed h GLU 71 N -0.11 0.00 -0.01 1.05 5.08 -1.93 0.73 114.58 119.39 1xed h GLU 71 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1xed h GLU 71 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xed h GLU 71 CO -0.30 0.00 -0.28 -1.71 -1.00 0.00 0.00 179.01 175.72 1xed n ASN 72 N -3.56 1.48 -1.34 1.42 5.15 -0.81 -4.98 115.26 112.62 1xed n ASN 72 Ca 0.18 -1.24 -0.12 0.00 -0.60 0.00 0.00 54.58 52.80 1xed n ASN 72 Cb 1.15 0.46 -0.01 0.00 -0.53 0.00 0.00 39.78 40.85 1xed n ASN 72 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xed n GLY 73 N 1.05 -0.06 3.11 8.20 0.00 0.25 -4.86 105.19 112.88 1xed n GLY 73 Ca 0.06 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1xed n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xed s THR 74 N -2.59 0.51 -0.03 2.61 -4.23 -0.84 0.24 115.64 111.31 1xed s THR 74 Ca 0.00 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 58.79 1xed s THR 74 Cb 0.00 -1.32 0.01 0.00 1.34 0.00 0.00 72.50 72.53 1xed s THR 74 CO 0.00 -0.77 0.15 0.72 -0.54 0.00 0.00 174.62 174.18 1xed s PHE 75 N -3.07 -0.06 -0.07 3.99 -0.12 -0.84 -1.02 117.98 116.79 1xed s PHE 75 Ca 0.04 0.14 0.05 0.00 -0.05 0.00 0.00 56.93 57.11 1xed s PHE 75 Cb 0.02 0.00 -0.01 0.00 -0.63 0.00 0.00 43.02 42.40 1xed s PHE 75 CO -0.05 -0.19 -0.24 0.08 -0.05 0.00 0.00 175.22 174.78 1xed s VAL 76 N -0.67 2.16 -0.24 -2.49 1.01 0.19 -1.76 120.40 118.60 1xed s VAL 76 Ca -0.08 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 1xed s VAL 76 Cb -0.04 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1xed s VAL 76 CO 0.01 0.57 0.04 -0.69 0.00 0.00 0.00 175.10 175.03 1xed s VAL 77 N -0.01 4.07 -0.19 2.92 1.01 -0.29 0.13 120.40 128.04 1xed s VAL 77 Ca -0.08 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1xed s VAL 77 Cb -0.15 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1xed s VAL 77 CO 0.05 0.35 0.06 0.20 0.00 0.00 0.00 175.10 175.76 1xed s ASN 78 N 1.58 5.54 -0.17 3.32 0.02 -0.44 -0.80 114.94 123.99 1xed s ASN 78 Ca 0.06 0.03 0.01 0.00 -1.02 0.00 0.00 52.86 51.94 1xed s ASN 78 Cb -0.15 -1.96 0.03 0.00 0.02 0.00 0.00 41.25 39.19 1xed s ASN 78 CO 0.02 0.14 -0.14 -0.63 0.02 0.00 0.00 177.10 176.51 1xed s ILE 79 N 0.60 1.71 0.29 0.60 1.01 0.08 -1.45 121.20 124.03 1xed s ILE 79 Ca 0.03 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.90 1xed s ILE 79 Cb -0.13 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 1xed s ILE 79 CO 0.01 0.37 0.40 0.00 0.00 0.00 0.00 174.94 175.72 1xed s ALA 80 N 1.41 4.05 -1.25 9.38 0.00 0.30 -0.94 121.76 134.71 1xed s ALA 80 Ca 0.03 -1.36 -0.12 0.00 0.00 0.00 0.00 51.96 50.50 1xed s ALA 80 Cb -0.14 -1.66 -0.00 0.00 0.00 0.00 0.00 23.12 21.32 1xed s ALA 80 CO -0.10 0.11 0.65 0.94 0.00 0.00 0.00 175.76 177.35 1xed n GLN 81 N -1.50 -2.23 -1.63 0.00 -0.06 -1.03 -4.82 117.38 106.11 1xed n GLN 81 Ca -0.05 0.44 -0.41 0.00 -2.00 0.00 0.00 57.00 54.98 1xed n GLN 81 Cb 0.58 -4.30 0.02 0.00 -4.06 0.00 0.00 30.24 22.48 1xed n GLN 81 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1xed n LEU 82 N -4.30 3.07 -4.15 1.69 4.77 1.00 -4.66 117.00 114.42 1xed n LEU 82 Ca -0.19 1.02 -0.12 0.00 -0.03 0.00 0.00 56.01 56.68 1xed n LEU 82 Cb 0.63 -1.39 -0.11 0.00 -2.33 0.00 0.00 43.42 40.23 1xed n LEU 82 CO 0.70 -1.36 -0.40 -0.55 -1.33 0.00 0.00 177.39 174.46 1xed s SER 83 N -0.77 1.19 0.49 -1.43 0.15 -1.26 0.17 113.70 112.24 1xed s SER 83 Ca 0.64 -0.85 0.33 0.00 0.70 0.00 0.00 55.95 56.78 1xed s SER 83 Cb -0.53 0.05 1.75 0.00 -1.71 0.00 0.00 66.02 65.59 1xed s SER 83 CO 0.56 -0.34 2.01 1.56 1.20 0.00 0.00 173.24 178.23 1xed h GLN 84 N 3.48 0.00 0.00 5.44 4.20 -1.91 0.32 115.11 126.65 1xed h GLN 84 Ca -0.36 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.32 1xed h GLN 84 Cb 1.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 1xed h GLN 84 CO 0.56 0.00 -0.12 -0.44 -0.67 0.00 0.00 178.83 178.15 1xed h ASP 85 N 0.00 0.00 1.38 1.46 5.19 -1.95 -2.80 116.42 119.70 1xed h ASP 85 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xed h ASP 85 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1xed h ASP 85 CO 0.00 0.12 0.00 0.44 -3.12 0.00 0.00 179.24 176.68 1xed h ASP 86 N 0.00 0.00 -2.65 6.45 3.32 -0.75 -3.45 116.42 119.34 1xed h ASP 86 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1xed h ASP 86 Cb 0.68 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.29 1xed h ASP 86 CO 0.02 0.00 1.00 -1.20 -1.72 0.00 0.00 179.24 177.33 1xed n SER 87 N -2.54 3.94 0.00 6.45 7.64 -1.06 -4.83 113.62 123.22 1xed n SER 87 Ca 0.04 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1xed n SER 87 Cb 0.39 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 1xed n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xed n GLY 88 N 3.88 -1.24 3.63 0.23 0.00 0.75 -4.99 105.19 107.44 1xed n GLY 88 Ca 0.16 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1xed n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xed s ARG 89 N -1.62 3.52 0.37 1.61 0.52 -1.26 -0.32 118.95 121.76 1xed s ARG 89 Ca 0.00 -0.40 0.05 0.00 -0.52 0.00 0.00 55.73 54.86 1xed s ARG 89 Cb 0.00 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 1xed s ARG 89 CO 0.00 0.44 0.18 0.71 0.02 0.00 0.00 175.30 176.66 1xed s TYR 90 N -0.15 1.74 -0.08 -0.53 1.51 0.92 -0.50 117.35 120.26 1xed s TYR 90 Ca 0.05 -1.42 -0.10 0.00 -1.01 0.00 0.00 57.07 54.58 1xed s TYR 90 Cb -0.12 -0.97 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1xed s TYR 90 CO 0.02 -0.52 0.28 0.15 -1.11 0.00 0.00 175.55 174.36 1xed s LYS 91 N -3.64 0.40 -0.05 -0.62 1.02 0.05 -0.65 119.74 116.25 1xed s LYS 91 Ca 0.31 0.23 0.06 0.00 0.02 0.00 0.00 55.97 56.59 1xed s LYS 91 Cb 0.03 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.51 1xed s LYS 91 CO 0.19 -0.07 -0.22 0.00 -0.92 0.00 0.00 175.35 174.34 1xed n GLY 93 N 2.61 1.26 3.36 0.00 0.00 -0.66 -0.62 105.19 111.14 1xed n GLY 93 Ca -0.17 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 1xed n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xed s LEU 94 N 0.00 2.30 0.00 0.99 1.43 -0.96 -1.20 118.68 121.24 1xed s LEU 94 Ca 0.10 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1xed s LEU 94 Cb -0.03 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 45.04 1xed s LEU 94 CO 0.06 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1xed n GLY 95 N 1.02 0.38 3.90 -3.19 0.00 0.95 -4.71 105.19 103.55 1xed n GLY 95 Ca -0.18 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 1xed n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xed s ILE 96 N 0.00 5.28 0.00 -0.61 1.01 -1.26 -4.70 121.20 120.92 1xed s ILE 96 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1xed s ILE 96 Cb 0.00 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1xed s ILE 96 CO 0.00 0.15 0.83 0.59 0.00 0.00 0.00 174.94 176.51 1xed n ASN 97 N 0.40 0.00 0.29 3.58 4.13 -1.26 -2.74 115.26 119.65 1xed n ASN 97 Ca -0.05 0.83 0.10 0.00 1.68 0.00 0.00 54.58 57.14 1xed n ASN 97 Cb 0.52 -0.33 0.56 0.00 -1.54 0.00 0.00 39.78 38.99 1xed n ASN 97 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1xed h SER 98 N 0.00 0.00 0.00 6.41 0.02 -1.97 -1.16 113.55 116.85 1xed h SER 98 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xed h SER 98 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1xed h SER 98 CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 1xed n ARG 99 N -2.61 0.00 -1.34 3.45 3.00 -1.11 -4.77 116.66 113.29 1xed n ARG 99 Ca -0.01 0.16 -0.12 0.00 -0.01 0.00 0.00 57.85 57.87 1xed n ARG 99 Cb 0.48 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.39 1xed n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xed n GLY 100 N -1.16 1.12 3.36 -0.13 0.00 -0.44 -4.90 105.19 103.04 1xed n GLY 100 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1xed n GLY 100 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xed n LEU 101 N -1.34 5.48 0.00 0.99 7.94 -1.26 -4.93 117.00 123.87 1xed n LEU 101 Ca -0.12 -4.69 0.00 0.00 -1.11 0.00 0.00 56.01 50.10 1xed n LEU 101 Cb 0.60 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 43.00 1xed n LEU 101 CO 0.18 1.01 0.00 -1.54 -1.11 0.00 0.00 177.39 175.93 1xed n SER 102 N 4.40 0.00 -3.94 1.96 3.41 -1.26 -2.28 113.62 115.91 1xed n SER 102 Ca 0.33 -0.52 -0.15 0.00 -0.26 0.00 0.00 58.87 58.26 1xed n SER 102 Cb 0.41 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.21 1xed n SER 102 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1xed s PHE 103 N -6.01 0.38 -0.18 7.33 5.36 0.20 -4.78 117.98 120.28 1xed s PHE 103 Ca 0.00 -0.07 -0.19 0.00 -0.96 0.00 0.00 56.93 55.71 1xed s PHE 103 Cb 0.00 -0.25 -0.03 0.00 -0.34 0.00 0.00 43.02 42.40 1xed s PHE 103 CO 0.00 -0.01 0.54 -0.51 -1.46 0.00 0.00 175.22 173.78 1xed s ASP 104 N -0.08 6.63 -0.11 6.13 1.11 -1.26 -1.83 116.67 127.26 1xed s ASP 104 Ca 0.01 0.75 0.03 0.00 0.18 0.00 0.00 52.55 53.53 1xed s ASP 104 Cb -0.02 -2.31 0.00 0.00 1.07 0.00 0.00 42.92 41.67 1xed s ASP 104 CO -0.00 -0.17 -0.22 -0.69 1.18 0.00 0.00 175.17 175.27 1xed s VAL 105 N 1.48 1.98 -0.25 -1.27 1.01 0.18 -4.56 120.40 118.96 1xed s VAL 105 Ca 0.26 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1xed s VAL 105 Cb -0.16 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1xed s VAL 105 CO 0.10 0.54 0.15 -0.44 0.00 0.00 0.00 175.10 175.45 1xed s SER 106 N 0.55 5.90 -0.19 3.32 0.01 -0.60 -0.05 113.70 122.64 1xed s SER 106 Ca -0.14 0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.08 1xed s SER 106 Cb -0.17 -2.07 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 1xed s SER 106 CO 0.04 0.01 -0.00 -0.22 0.41 0.00 0.00 173.24 173.48 1xed s LEU 107 N 1.37 3.30 -0.20 2.44 2.96 0.56 -0.32 118.68 128.78 1xed s LEU 107 Ca 0.07 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1xed s LEU 107 Cb -0.15 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.74 1xed s LEU 107 CO 0.07 0.10 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.33 1xed s GLU 108 N 0.80 2.84 -0.37 1.98 2.56 0.22 -0.18 118.70 126.56 1xed s GLU 108 Ca 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 54.97 53.93 1xed s GLU 108 Cb -0.14 -2.68 0.03 0.00 2.00 0.00 0.00 34.13 33.34 1xed s GLU 108 CO 0.02 -0.30 0.19 0.08 -0.56 0.00 0.00 175.26 174.69 1xed s VAL 109 N 1.26 4.45 0.54 3.70 1.01 -1.26 -0.70 120.40 129.39 1xed s VAL 109 Ca 0.02 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 1xed s VAL 109 Cb -0.15 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 1xed s VAL 109 CO -0.10 -0.22 1.00 -0.76 0.00 0.00 0.00 175.10 175.02 1xed s LEU 110 N 1.53 3.56 -0.40 3.92 1.43 0.24 -4.63 118.68 124.33 1xed s LEU 110 Ca 0.01 1.60 -0.28 0.00 -1.03 0.00 0.00 54.13 54.44 1xed s LEU 110 Cb -0.19 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.50 1xed s LEU 110 CO 0.06 -0.72 1.76 -1.61 0.23 0.00 0.00 176.35 176.06 1xed s GLU 111 N -4.18 3.22 0.00 1.70 8.01 -1.26 0.02 118.70 126.21 1xed s GLU 111 Ca 0.59 1.19 0.00 0.00 0.01 0.00 0.00 54.97 56.76 1xed s GLU 111 Cb -0.11 -4.21 0.00 0.00 -4.31 0.00 0.00 34.13 25.50 1xed s GLU 111 CO 0.35 -2.00 0.00 -2.39 0.01 0.00 0.00 175.26 171.23