#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uat n SER 2 N 0.00 0.00 -3.46 0.00 7.64 -1.26 -3.59 113.62 112.95 1uat n SER 2 Ca 0.00 0.40 -0.38 0.00 1.01 0.00 0.00 58.87 59.89 1uat n SER 2 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1uat n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uat s GLU 4 N -4.16 1.08 0.19 0.00 -1.05 -1.24 -1.33 118.70 112.21 1uat s GLU 4 Ca 0.42 -0.33 0.01 0.00 -0.15 0.00 0.00 54.97 54.91 1uat s GLU 4 Cb 0.22 0.49 -0.05 0.00 -0.44 0.00 0.00 34.13 34.36 1uat s GLU 4 CO -0.15 -0.41 0.06 0.95 0.95 0.00 0.00 175.26 176.66 1uat s THR 5 N -2.84 0.43 -0.11 1.83 -4.23 -0.44 -4.81 115.64 105.46 1uat s THR 5 Ca -0.03 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.53 1uat s THR 5 Cb -0.00 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.53 1uat s THR 5 CO -0.05 -0.26 -0.19 -0.89 -0.54 0.00 0.00 174.62 172.69 1uat s THR 6 N -3.84 1.72 -0.07 3.99 2.01 -1.26 -0.82 115.64 117.36 1uat s THR 6 Ca 0.30 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1uat s THR 6 Cb 0.07 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 1uat s THR 6 CO 0.08 0.48 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.60 1uat s VAL 7 N 0.72 2.47 0.31 3.82 1.01 0.25 -4.96 120.40 124.03 1uat s VAL 7 Ca -0.11 -0.91 0.10 0.00 0.00 0.00 0.00 61.98 61.06 1uat s VAL 7 Cb -0.16 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1uat s VAL 7 CO 0.02 0.56 -0.08 0.42 0.00 0.00 0.00 175.10 176.03 1uat s THR 8 N -0.13 2.62 0.26 3.92 -4.23 -1.26 -1.49 115.64 115.32 1uat s THR 8 Ca -0.03 -2.14 -0.00 0.00 -1.18 0.00 0.00 61.69 58.33 1uat s THR 8 Cb -0.14 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1uat s THR 8 CO 0.04 -0.28 0.26 -0.94 -0.54 0.00 0.00 174.62 173.15 1uat s SER 9 N -3.63 0.65 0.00 3.99 1.04 -0.11 -0.85 113.70 114.80 1uat s SER 9 Ca 0.32 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1uat s SER 9 Cb -0.02 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1uat s SER 9 CO 0.18 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1uat n GLY 10 N -0.42 3.49 2.33 7.32 0.00 -1.26 0.01 105.19 116.66 1uat n GLY 10 Ca 0.03 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 1uat n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uat n ASP 11 N 0.00 6.42 -3.54 1.61 10.43 -1.26 -4.78 116.55 125.42 1uat n ASP 11 Ca 0.00 -3.14 -0.16 0.00 2.57 0.00 0.00 54.79 54.06 1uat n ASP 11 Cb 0.00 -1.20 -0.07 0.00 1.84 0.00 0.00 41.12 41.69 1uat n ASP 11 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1uat s THR 12 N -2.12 0.00 -0.41 -3.53 -4.23 -1.26 -5.07 115.64 99.02 1uat s THR 12 Ca 0.53 -1.86 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 1uat s THR 12 Cb 0.35 -2.52 0.60 0.00 1.34 0.00 0.00 72.50 72.27 1uat s THR 12 CO -0.16 0.00 1.77 0.23 -0.54 0.00 0.00 174.62 175.92 1uat n MET 13 N -0.52 2.16 -4.58 3.99 2.81 -1.26 -4.97 117.12 114.76 1uat n MET 13 Ca 0.04 -3.10 -0.22 0.00 -1.81 0.00 0.00 57.70 52.61 1uat n MET 13 Cb 0.63 -2.07 -0.15 0.00 -0.71 0.00 0.00 33.22 30.92 1uat n MET 13 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1uat s THR 14 N -3.39 1.17 0.61 2.03 2.01 -1.26 -3.49 115.64 113.32 1uat s THR 14 Ca 0.53 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.68 1uat s THR 14 Cb 0.46 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 1uat s THR 14 CO 0.07 0.22 0.97 -0.31 -0.69 0.00 0.00 174.62 174.88 1uat s TYR 15 N -0.52 3.43 0.25 4.92 2.02 -1.26 -4.52 117.35 121.67 1uat s TYR 15 Ca 0.05 0.95 0.26 0.00 -0.37 0.00 0.00 57.07 57.96 1uat s TYR 15 Cb -0.06 -2.75 1.18 0.00 -0.40 0.00 0.00 41.96 39.93 1uat s TYR 15 CO 0.00 -0.79 1.94 0.66 -1.57 0.00 0.00 175.55 175.79 1uat h SER 16 N -0.28 0.00 -4.38 2.29 4.64 -1.37 -3.43 113.55 111.03 1uat h SER 16 Ca -0.45 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.66 1uat h SER 16 Cb 1.23 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.08 1uat h SER 16 CO 0.62 0.17 -0.71 0.28 -0.87 0.00 0.00 176.83 176.32 1uat s THR 17 N -3.86 0.11 -2.02 2.95 -1.32 -1.26 -4.98 115.64 105.26 1uat s THR 17 Ca -0.01 -0.50 0.21 0.00 -1.21 0.00 0.00 61.69 60.18 1uat s THR 17 Cb 0.11 -0.18 0.47 0.00 -1.51 0.00 0.00 72.50 71.39 1uat s THR 17 CO 0.61 -0.25 1.40 0.54 -2.21 0.00 0.00 174.62 174.71 1uat n ARG 18 N 2.29 2.54 -3.73 7.08 3.00 -1.26 -4.84 116.66 121.75 1uat n ARG 18 Ca -0.18 -2.34 -0.12 0.00 -0.01 0.00 0.00 57.85 55.20 1uat n ARG 18 Cb 0.57 -1.49 -0.12 0.00 0.00 0.00 0.00 32.46 31.42 1uat n ARG 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1uat s SER 19 N -1.21 -0.33 -0.07 0.55 0.15 -1.26 -0.77 113.70 110.76 1uat s SER 19 Ca 0.39 0.62 0.03 0.00 0.70 0.00 0.00 55.95 57.69 1uat s SER 19 Cb 0.22 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 65.05 1uat s SER 19 CO 0.29 -0.16 -0.15 -0.63 1.20 0.00 0.00 173.24 173.79 1uat s ILE 20 N 1.13 1.35 -0.17 6.45 1.01 0.26 -4.96 121.20 126.27 1uat s ILE 20 Ca -0.08 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1uat s ILE 20 Cb -0.09 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 1uat s ILE 20 CO -0.08 0.40 -0.04 -0.44 0.00 0.00 0.00 174.94 174.78 1uat s SER 21 N 0.56 4.70 -0.30 3.58 0.01 -1.26 -1.16 113.70 119.83 1uat s SER 21 Ca -0.15 -0.19 -0.09 0.00 1.31 0.00 0.00 55.95 56.83 1uat s SER 21 Cb -0.16 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.28 1uat s SER 21 CO 0.05 0.13 0.14 -0.69 0.41 0.00 0.00 173.24 173.27 1uat s VAL 22 N 0.62 4.59 0.24 3.43 1.01 0.21 -4.94 120.40 125.56 1uat s VAL 22 Ca -0.02 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.30 1uat s VAL 22 Cb -0.14 -3.30 -0.12 0.00 0.00 0.00 0.00 36.38 32.82 1uat s VAL 22 CO 0.02 0.12 1.66 -2.65 0.00 0.00 0.00 175.10 174.26 1uat n PRO 23 N 4.98 2.72 0.00 2.72 -0.02 -1.26 -0.83 135.00 143.30 1uat n PRO 23 Ca -0.14 0.97 0.09 0.00 -2.02 0.00 0.00 63.50 62.41 1uat n PRO 23 Cb 0.50 -2.79 0.45 0.00 -0.02 0.00 0.00 33.50 31.63 1uat n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uat n ALA 24 N 3.16 1.95 1.40 3.55 0.00 -0.67 -1.93 120.51 127.96 1uat n ALA 24 Ca 0.13 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1uat n ALA 24 Cb 0.35 -1.31 0.64 0.00 0.00 0.00 0.00 19.45 19.13 1uat n ALA 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1uat n SER 25 N -1.41 0.33 -4.78 0.00 3.41 -1.26 -4.83 113.62 105.08 1uat n SER 25 Ca 0.07 -0.44 -0.37 0.00 -0.26 0.00 0.00 58.87 57.87 1uat n SER 25 Cb 0.20 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 1uat n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uat n ALA 27 N 0.58 0.91 -2.60 0.00 0.00 -1.26 -4.67 120.51 113.46 1uat n ALA 27 Ca 0.02 -0.61 -0.22 0.00 0.00 0.00 0.00 53.44 52.63 1uat n ALA 27 Cb 0.50 -0.63 -0.13 0.00 0.00 0.00 0.00 19.45 19.19 1uat n ALA 27 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1uat s GLU 28 N -2.54 1.04 -0.03 0.00 2.02 -1.26 -1.16 118.70 116.77 1uat s GLU 28 Ca -0.24 -0.93 0.03 0.00 0.02 0.00 0.00 54.97 53.85 1uat s GLU 28 Cb 0.07 -1.13 -0.00 0.00 0.10 0.00 0.00 34.13 33.17 1uat s GLU 28 CO 0.74 0.27 -0.12 0.12 0.02 0.00 0.00 175.26 176.29 1uat s PHE 29 N -1.01 1.20 -0.14 1.61 2.19 -0.23 -4.78 117.98 116.81 1uat s PHE 29 Ca 0.03 -0.30 0.00 0.00 0.33 0.00 0.00 56.93 56.99 1uat s PHE 29 Cb -0.09 -0.82 -0.01 0.00 -1.31 0.00 0.00 43.02 40.79 1uat s PHE 29 CO 0.02 -0.11 -0.15 0.99 1.83 0.00 0.00 175.22 177.81 1uat s THR 30 N 0.08 2.76 -0.30 0.12 2.01 -0.44 -1.28 115.64 118.59 1uat s THR 30 Ca -0.02 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 1uat s THR 30 Cb -0.09 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.27 1uat s THR 30 CO 0.01 0.52 0.12 -0.69 -0.69 0.00 0.00 174.62 173.88 1uat s VAL 31 N 0.63 4.28 -0.15 3.82 1.01 -0.23 -1.33 120.40 128.41 1uat s VAL 31 Ca -0.08 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1uat s VAL 31 Cb -0.16 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1uat s VAL 31 CO 0.03 0.07 0.40 0.20 0.00 0.00 0.00 175.10 175.80 1uat s ASN 32 N 1.56 6.54 -0.13 3.32 -0.87 -0.00 -1.56 114.94 123.79 1uat s ASN 32 Ca 0.04 0.64 0.01 0.00 -1.57 0.00 0.00 52.86 51.98 1uat s ASN 32 Cb -0.17 -2.24 0.02 0.00 -0.02 0.00 0.00 41.25 38.84 1uat s ASN 32 CO 0.04 0.01 -0.16 0.12 -2.57 0.00 0.00 177.10 174.54 1uat s PHE 33 N 0.77 2.17 0.02 2.20 5.99 0.13 -0.58 117.98 128.68 1uat s PHE 33 Ca 0.21 -1.12 0.09 0.00 0.00 0.00 0.00 56.93 56.10 1uat s PHE 33 Cb -0.14 -1.56 -0.03 0.00 0.00 0.00 0.00 43.02 41.29 1uat s PHE 33 CO 0.08 -0.58 -0.25 -1.21 -0.00 0.00 0.00 175.22 173.25 1uat s GLU 34 N 1.18 1.94 -0.34 10.12 2.02 -0.56 -0.66 118.70 132.39 1uat s GLU 34 Ca -0.02 -1.03 -0.06 0.00 0.02 0.00 0.00 54.97 53.88 1uat s GLU 34 Cb -0.14 -2.02 0.05 0.00 0.10 0.00 0.00 34.13 32.11 1uat s GLU 34 CO -0.06 0.53 0.11 -1.58 0.02 0.00 0.00 175.26 174.28 1uat s HIS 35 N -0.75 3.28 -1.65 1.61 5.65 -0.68 -0.93 115.29 121.83 1uat s HIS 35 Ca 0.11 -1.54 0.11 0.00 0.25 0.00 0.00 55.06 54.00 1uat s HIS 35 Cb -0.10 -2.35 0.38 0.00 -1.18 0.00 0.00 32.58 29.33 1uat s HIS 35 CO 0.01 -0.76 1.27 1.63 -0.65 0.00 0.00 174.74 176.24 1uat n LYS 36 N 4.78 2.23 -0.80 2.88 4.76 0.10 -1.47 118.16 130.65 1uat n LYS 36 Ca -0.12 -1.52 -0.30 0.00 -2.87 0.00 0.00 58.31 53.50 1uat n LYS 36 Cb 0.44 -1.47 0.18 0.00 -1.84 0.00 0.00 35.03 32.34 1uat n LYS 36 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1uat s GLY 37 N -0.85 1.63 -0.11 0.72 0.00 -1.26 -4.80 107.32 102.65 1uat s GLY 37 Ca 0.28 0.24 -0.05 0.00 0.00 0.00 0.00 44.72 45.20 1uat s GLY 37 CO 0.16 0.75 0.40 1.42 0.00 0.00 0.00 173.10 175.84 1uat n HIS 38 N -4.30 1.24 -4.12 1.90 -0.00 -1.26 -1.51 115.22 107.17 1uat n HIS 38 Ca 0.08 0.28 -0.09 0.00 -0.00 0.00 0.00 57.72 57.99 1uat n HIS 38 Cb 0.53 -1.17 -0.10 0.00 -0.00 0.00 0.00 29.99 29.25 1uat n HIS 38 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1uat s MET 39 N -2.56 0.71 0.15 -0.41 -1.94 -1.26 -4.51 119.30 109.47 1uat s MET 39 Ca -0.20 -1.23 -0.31 0.00 -1.71 0.00 0.00 55.69 52.23 1uat s MET 39 Cb 0.07 -0.03 -0.11 0.00 2.01 0.00 0.00 34.83 36.77 1uat s MET 39 CO 0.78 -0.05 1.78 -2.14 -0.01 0.00 0.00 175.02 175.38 1uat s PRO 40 N -3.68 4.14 0.04 2.03 0.02 -1.26 -3.98 135.00 132.31 1uat s PRO 40 Ca 0.08 2.58 0.05 0.00 0.02 0.00 0.00 61.00 63.73 1uat s PRO 40 Cb 0.05 -3.41 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 1uat s PRO 40 CO -0.07 -0.80 -0.13 0.15 -0.33 0.00 0.00 177.00 175.82 1uat s LYS 41 N 2.19 0.87 0.04 5.54 1.02 -1.26 -4.95 119.74 123.18 1uat s LYS 41 Ca 0.78 -0.77 -0.34 0.00 0.02 0.00 0.00 55.97 55.66 1uat s LYS 41 Cb -0.47 -0.86 -0.13 0.00 -0.52 0.00 0.00 37.83 35.85 1uat s LYS 41 CO 0.35 0.21 1.70 2.41 -0.92 0.00 0.00 175.35 179.10 1uat n THR 42 N 1.80 0.26 -0.99 2.17 -1.04 -1.26 -1.45 114.28 113.77 1uat n THR 42 Ca -0.19 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1uat n THR 42 Cb 0.55 -1.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 1uat n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uat n GLY 43 N 3.82 0.76 0.68 3.41 0.00 -1.26 -4.90 105.19 107.70 1uat n GLY 43 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 1uat n GLY 43 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1uat n MET 44 N -2.37 2.24 -2.77 1.61 2.00 -0.53 -5.00 117.12 112.30 1uat n MET 44 Ca 0.00 -2.83 -0.38 0.00 0.00 0.00 0.00 57.70 54.49 1uat n MET 44 Cb 0.01 -1.74 -0.06 0.00 0.00 0.00 0.00 33.22 31.43 1uat n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1uat s GLY 45 N -2.34 2.86 0.05 3.03 0.00 -1.26 -4.74 107.32 104.92 1uat s GLY 45 Ca 0.39 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.67 1uat s GLY 45 CO 0.05 1.01 -0.06 0.30 0.00 0.00 0.00 173.10 174.41 1uat s HIS 46 N -1.54 0.60 0.18 1.90 3.76 -0.58 -4.79 115.29 114.82 1uat s HIS 46 Ca 0.49 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.74 1uat s HIS 46 Cb -0.20 -0.37 -0.02 0.00 1.11 0.00 0.00 32.58 33.10 1uat s HIS 46 CO 0.25 -0.17 0.15 0.27 -0.85 0.00 0.00 174.74 174.39 1uat n ASN 47 N 0.93 -0.29 -3.81 1.40 6.94 -1.26 -0.57 115.26 118.61 1uat n ASN 47 Ca -0.19 -2.20 -0.25 0.00 -0.02 0.00 0.00 54.58 51.92 1uat n ASN 47 Cb 0.57 0.89 -0.17 0.00 -2.36 0.00 0.00 39.78 38.71 1uat n ASN 47 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1uat s TRP 48 N -2.72 1.07 -0.05 -2.53 -0.00 -1.26 -4.23 118.94 109.23 1uat s TRP 48 Ca 0.21 -0.57 0.05 0.00 -0.00 0.00 0.00 56.10 55.79 1uat s TRP 48 Cb 0.01 -1.01 -0.01 0.00 -0.00 0.00 0.00 33.47 32.46 1uat s TRP 48 CO 0.15 -0.47 -0.20 0.08 -0.00 0.00 0.00 176.95 176.52 1uat s VAL 49 N 1.84 1.62 -0.10 5.86 1.01 -0.16 -0.84 120.40 129.64 1uat s VAL 49 Ca 0.03 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1uat s VAL 49 Cb -0.14 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1uat s VAL 49 CO -0.07 0.46 -0.15 -0.22 0.00 0.00 0.00 175.10 175.12 1uat s LEU 50 N -0.05 2.65 0.24 3.92 2.96 0.22 -1.10 118.68 127.53 1uat s LEU 50 Ca -0.03 -0.31 -0.15 0.00 -0.22 0.00 0.00 54.13 53.42 1uat s LEU 50 Cb -0.12 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.01 1uat s LEU 50 CO 0.02 0.23 0.53 0.00 -1.32 0.00 0.00 176.35 175.82 1uat s ALA 51 N -0.05 -0.53 0.55 5.97 0.00 -0.84 -0.98 121.76 125.87 1uat s ALA 51 Ca -0.03 -0.67 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 1uat s ALA 51 Cb -0.14 0.99 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 1uat s ALA 51 CO 0.04 -0.88 1.31 0.15 0.00 0.00 0.00 175.76 176.37 1uat s LYS 52 N -3.98 3.16 0.47 0.00 1.02 -1.26 -0.88 119.74 118.27 1uat s LYS 52 Ca 0.18 2.11 0.13 0.00 0.02 0.00 0.00 55.97 58.41 1uat s LYS 52 Cb -0.02 -2.21 1.10 0.00 -0.52 0.00 0.00 37.83 36.18 1uat s LYS 52 CO 0.07 -1.13 2.09 0.77 -0.92 0.00 0.00 175.35 176.23 1uat h SER 53 N 1.40 0.21 0.85 2.83 0.02 -1.48 -1.65 113.55 115.73 1uat h SER 53 Ca -0.51 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.42 1uat h SER 53 Cb 1.30 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1uat h SER 53 CO 0.57 0.15 -0.12 0.00 -1.14 0.00 0.00 176.83 176.29 1uat h ALA 54 N 1.86 1.05 -0.00 3.77 0.00 -1.91 -3.07 119.26 120.96 1uat h ALA 54 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uat h ALA 54 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1uat h ALA 54 CO -0.02 0.15 -0.62 -0.25 0.00 0.00 0.00 179.25 178.51 1uat n ASP 55 N -3.30 0.64 0.06 0.00 8.00 -0.63 -4.62 116.55 116.70 1uat n ASP 55 Ca -0.00 -0.45 -0.13 0.00 0.71 0.00 0.00 54.79 54.92 1uat n ASP 55 Cb 0.34 0.43 -0.07 0.00 -0.02 0.00 0.00 41.12 41.81 1uat n ASP 55 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1uat h VAL 56 N 0.03 0.17 -0.32 2.53 2.07 -1.50 -1.34 116.25 117.90 1uat h VAL 56 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1uat h VAL 56 Cb 0.50 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 1uat h VAL 56 CO 0.00 0.00 -0.15 1.23 0.02 0.00 0.00 177.57 178.67 1uat h GLY 57 N -0.56 0.11 1.00 2.17 0.00 -1.84 -1.01 103.07 102.94 1uat h GLY 57 Ca 0.05 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1uat h GLY 57 CO -0.31 -0.17 -0.01 -0.55 0.00 0.00 0.00 176.54 175.50 1uat h ASP 58 N -0.10 -0.04 -0.42 0.19 3.32 -1.81 -0.52 116.42 117.05 1uat h ASP 58 Ca 0.16 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1uat h ASP 58 Cb 0.34 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1uat h ASP 58 CO -0.38 -0.02 0.22 0.58 -1.72 0.00 0.00 179.24 177.92 1uat h VAL 59 N -0.05 0.99 -0.26 -1.35 2.07 -1.08 -1.27 116.25 115.31 1uat h VAL 59 Ca -0.00 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1uat h VAL 59 Cb 0.04 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1uat h VAL 59 CO 0.01 0.08 -0.14 0.00 0.02 0.00 0.00 177.57 177.53 1uat h ALA 60 N 1.21 0.37 -0.42 1.67 0.00 -1.01 0.97 119.26 122.06 1uat h ALA 60 Ca 0.18 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1uat h ALA 60 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1uat h ALA 60 CO -0.11 0.26 -0.17 0.87 0.00 0.00 0.00 179.25 180.10 1uat h LYS 61 N 0.29 0.79 -0.17 0.00 1.57 -1.00 -1.00 116.57 117.05 1uat h LYS 61 Ca 0.06 -0.29 -0.15 0.00 -1.87 0.00 0.00 60.65 58.39 1uat h LYS 61 Cb 0.66 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1uat h LYS 61 CO 0.04 0.90 -0.49 0.93 -0.57 0.00 0.00 179.45 180.26 1uat h GLU 62 N 0.70 0.63 -0.46 3.15 5.08 -1.27 -3.26 114.58 119.15 1uat h GLU 62 Ca 0.11 -0.45 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1uat h GLU 62 Cb 0.66 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1uat h GLU 62 CO 0.05 1.07 0.30 0.78 -1.00 0.00 0.00 179.01 180.22 1uat h GLY 63 N 0.30 0.59 0.41 -3.84 0.00 -0.60 -2.14 103.07 97.78 1uat h GLY 63 Ca -0.01 -0.21 0.19 0.00 0.00 0.00 0.00 47.33 47.29 1uat h GLY 63 CO 0.11 0.19 0.57 0.00 0.00 0.00 0.00 176.54 177.41 1uat h ALA 64 N 1.73 2.19 -0.00 3.60 0.00 -1.22 -0.13 119.26 125.43 1uat h ALA 64 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1uat h ALA 64 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1uat h ALA 64 CO -0.04 -0.45 -0.07 0.72 0.00 0.00 0.00 179.25 179.40 1uat n HIS 65 N -4.50 0.00 0.21 0.00 8.25 -0.81 -3.60 115.22 114.78 1uat n HIS 65 Ca 0.18 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.71 1uat n HIS 65 Cb 0.66 -0.24 0.46 0.00 1.12 0.00 0.00 29.99 31.99 1uat n HIS 65 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uat h ALA 66 N 3.50 1.15 0.00 -1.41 0.00 -1.08 -3.49 119.26 117.93 1uat h ALA 66 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1uat h ALA 66 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1uat h ALA 66 CO 0.00 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1uat n GLY 67 N -0.16 -0.54 0.25 0.00 0.00 -1.24 -4.23 105.19 99.27 1uat n GLY 67 Ca -0.01 -1.67 0.01 0.00 0.00 0.00 0.00 46.02 44.35 1uat n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uat h ALA 68 N 0.00 1.44 0.00 4.61 0.00 -1.95 -1.98 119.26 121.38 1uat h ALA 68 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1uat h ALA 68 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1uat h ALA 68 CO 0.00 0.39 -0.08 -0.44 0.00 0.00 0.00 179.25 179.12 1uat h ASP 69 N 0.33 0.00 -0.74 0.00 3.45 -2.02 -1.00 116.42 116.44 1uat h ASP 69 Ca 0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1uat h ASP 69 Cb 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1uat h ASP 69 CO 0.02 0.08 0.00 0.59 -1.57 0.00 0.00 179.24 178.36 1uat n ASN 70 N -3.27 3.97 -2.51 6.45 3.02 -0.85 -4.96 115.26 117.11 1uat n ASN 70 Ca -0.00 -2.01 -0.21 0.00 -0.03 0.00 0.00 54.58 52.33 1uat n ASN 70 Cb 0.30 -0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1uat n ASN 70 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1uat n ASN 71 N 1.65 -5.99 -3.98 6.41 4.13 -0.38 -2.41 115.26 114.70 1uat n ASN 71 Ca 0.25 -0.07 -0.30 0.00 1.68 0.00 0.00 54.58 56.14 1uat n ASN 71 Cb 0.63 -4.95 0.00 0.00 -1.54 0.00 0.00 39.78 33.92 1uat n ASN 71 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1uat n PHE 72 N -4.12 -1.98 -3.94 3.10 3.72 -0.80 -4.71 117.46 108.74 1uat n PHE 72 Ca -0.22 0.84 -0.17 0.00 -0.05 0.00 0.00 57.45 57.84 1uat n PHE 72 Cb 0.68 -3.70 -0.16 0.00 -0.94 0.00 0.00 39.48 35.35 1uat n PHE 72 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1uat s VAL 73 N -3.47 0.20 0.08 -4.37 1.01 -1.01 -4.22 120.40 108.63 1uat s VAL 73 Ca 0.48 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 62.23 1uat s VAL 73 Cb -0.25 -0.29 -0.09 0.00 0.00 0.00 0.00 36.38 35.75 1uat s VAL 73 CO 0.87 0.15 1.81 -0.89 0.00 0.00 0.00 175.10 177.04 1uat s THR 74 N 1.04 2.81 -0.02 3.92 2.01 -1.26 -4.85 115.64 119.28 1uat s THR 74 Ca -0.10 0.18 -0.35 0.00 0.31 0.00 0.00 61.69 61.73 1uat s THR 74 Cb -0.14 -3.12 -0.13 0.00 0.01 0.00 0.00 72.50 69.12 1uat s THR 74 CO -0.02 -0.00 1.72 -2.65 -0.69 0.00 0.00 174.62 172.98 1uat n PRO 75 N 6.12 1.93 -1.57 4.92 -0.02 -1.26 -2.27 135.00 142.86 1uat n PRO 75 Ca 0.18 0.70 -0.06 0.00 -2.02 0.00 0.00 63.50 62.30 1uat n PRO 75 Cb 0.40 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 1uat n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uat n GLY 76 N 3.90 0.55 3.65 -1.23 0.00 -1.26 -4.97 105.19 105.82 1uat n GLY 76 Ca 0.21 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1uat n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uat s ASP 77 N -2.85 6.88 0.39 1.61 -1.08 -0.96 -4.90 116.67 115.76 1uat s ASP 77 Ca 0.00 1.50 0.28 0.00 -0.52 0.00 0.00 52.55 53.81 1uat s ASP 77 Cb 0.00 -2.54 1.05 0.00 -1.46 0.00 0.00 42.92 39.97 1uat s ASP 77 CO 0.00 -0.85 1.82 0.07 0.52 0.00 0.00 175.17 176.73 1uat h LYS 78 N 8.46 0.00 0.00 4.34 5.09 -1.93 -1.97 116.57 130.56 1uat h LYS 78 Ca -0.25 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.47 1uat h LYS 78 Cb 1.10 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.42 1uat h LYS 78 CO 0.99 0.00 -0.10 0.00 -2.09 0.00 0.00 179.45 178.25 1uat h ARG 79 N 0.00 0.00 -5.58 0.07 3.08 -1.97 -3.41 114.38 106.57 1uat h ARG 79 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1uat h ARG 79 Cb 0.54 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.46 1uat h ARG 79 CO 0.00 0.10 0.22 0.08 -1.07 0.00 0.00 179.97 179.30 1uat s VAL 80 N -3.77 4.84 0.07 2.04 1.01 -0.74 -4.34 120.40 119.51 1uat s VAL 80 Ca 0.00 0.70 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 1uat s VAL 80 Cb 0.10 -4.12 -0.28 0.00 0.00 0.00 0.00 36.38 32.09 1uat s VAL 80 CO 0.57 -0.34 1.13 0.40 0.00 0.00 0.00 175.10 176.86 1uat h ILE 81 N 5.69 1.35 -2.06 2.22 2.04 -1.30 -3.48 117.51 121.97 1uat h ILE 81 Ca -0.26 -2.61 0.02 0.00 1.00 0.00 0.00 64.86 63.00 1uat h ILE 81 Cb 1.10 2.74 -0.19 0.00 -0.74 0.00 0.00 36.82 39.74 1uat h ILE 81 CO 0.86 0.78 0.35 0.00 0.00 0.00 0.00 178.15 180.14 1uat s ALA 82 N -2.92 -1.80 0.09 1.87 0.00 -1.24 -5.00 121.76 112.76 1uat s ALA 82 Ca -0.08 1.23 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 1uat s ALA 82 Cb 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.21 1uat s ALA 82 CO 0.91 -0.46 0.46 -0.59 0.00 0.00 0.00 175.76 176.08 1uat s PHE 83 N -1.86 -0.31 0.23 0.00 -0.12 -1.26 -0.61 117.98 114.05 1uat s PHE 83 Ca -0.04 0.18 0.06 0.00 -0.05 0.00 0.00 56.93 57.08 1uat s PHE 83 Cb -0.00 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.65 1uat s PHE 83 CO 0.01 -0.67 0.22 0.95 -0.05 0.00 0.00 175.22 175.69 1uat s THR 84 N -3.09 4.66 0.98 -4.49 -4.23 -0.02 -4.84 115.64 104.60 1uat s THR 84 Ca -0.02 -1.23 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 1uat s THR 84 Cb 0.00 -3.49 0.18 0.00 1.34 0.00 0.00 72.50 70.53 1uat s THR 84 CO -0.07 -0.29 1.11 -2.84 -0.54 0.00 0.00 174.62 171.99 1uat s PRO 85 N -3.72 0.55 0.11 3.99 0.02 -1.26 -4.36 135.00 130.33 1uat s PRO 85 Ca 0.33 1.33 -0.30 0.00 0.02 0.00 0.00 61.00 62.37 1uat s PRO 85 Cb -0.09 -1.69 -0.07 0.00 0.02 0.00 0.00 34.50 32.68 1uat s PRO 85 CO 0.26 -2.88 1.23 0.42 -0.33 0.00 0.00 177.00 175.70 1uat s ILE 86 N -2.62 3.74 0.21 2.83 -1.09 -1.26 -4.52 121.20 118.50 1uat s ILE 86 Ca 0.67 1.32 0.10 0.00 -2.23 0.00 0.00 60.65 60.50 1uat s ILE 86 Cb -0.23 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 1uat s ILE 86 CO 0.60 0.14 -0.18 0.27 -1.23 0.00 0.00 174.94 174.53 1uat s ILE 87 N 0.70 2.05 0.51 2.92 -4.36 0.27 -4.90 121.20 118.39 1uat s ILE 87 Ca 0.58 -2.16 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 1uat s ILE 87 Cb -0.32 -2.07 -0.01 0.00 1.25 0.00 0.00 42.46 41.31 1uat s ILE 87 CO 0.32 -0.40 0.06 -0.83 0.24 0.00 0.00 174.94 174.32 1uat s GLY 88 N -3.11 2.93 0.03 6.27 0.00 -1.26 -1.53 107.32 110.65 1uat s GLY 88 Ca 0.23 -0.54 -0.38 0.00 0.00 0.00 0.00 44.72 44.02 1uat s GLY 88 CO 0.10 -2.16 1.35 0.61 0.00 0.00 0.00 173.10 172.99 1uat n GLY 89 N -1.33 0.41 1.04 0.20 0.00 -1.26 -2.01 105.19 102.25 1uat n GLY 89 Ca -0.16 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1uat n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uat n GLY 90 N 2.57 0.98 3.99 -0.02 0.00 -0.54 -4.26 105.19 107.90 1uat n GLY 90 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1uat n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uat s GLU 91 N -0.65 3.03 0.04 1.61 2.02 -0.85 -4.95 118.70 118.94 1uat s GLU 91 Ca 0.00 -0.94 -0.00 0.00 0.02 0.00 0.00 54.97 54.05 1uat s GLU 91 Cb 0.00 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 1uat s GLU 91 CO 0.00 -0.09 -0.03 0.15 0.02 0.00 0.00 175.26 175.30 1uat s LYS 92 N -4.30 0.48 0.29 1.61 3.01 -1.26 -1.69 119.74 117.87 1uat s LYS 92 Ca 0.48 -0.94 -0.03 0.00 -1.01 0.00 0.00 55.97 54.47 1uat s LYS 92 Cb -0.10 0.14 0.01 0.00 -1.01 0.00 0.00 37.83 36.88 1uat s LYS 92 CO 0.33 -0.08 0.43 -2.37 0.51 0.00 0.00 175.35 174.18 1uat n THR 93 N 0.82 0.00 -3.60 2.17 5.66 0.16 -5.01 114.28 114.48 1uat n THR 93 Ca -0.19 -1.29 -0.16 0.00 -3.05 0.00 0.00 64.05 59.36 1uat n THR 93 Cb 0.58 0.85 -0.07 0.00 -1.55 0.00 0.00 70.33 70.15 1uat n THR 93 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1uat s SER 94 N -2.71 -0.49 -0.03 1.09 0.15 -1.26 -0.69 113.70 109.76 1uat s SER 94 Ca 0.21 0.44 -0.02 0.00 0.70 0.00 0.00 55.95 57.28 1uat s SER 94 Cb -0.01 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.78 1uat s SER 94 CO 0.15 -0.58 0.08 0.54 1.20 0.00 0.00 173.24 174.62 1uat s VAL 95 N -1.46 -0.01 -0.09 4.45 0.11 -0.60 -4.88 120.40 117.92 1uat s VAL 95 Ca -0.11 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.02 1uat s VAL 95 Cb -0.02 -0.12 -0.01 0.00 -1.53 0.00 0.00 36.38 34.71 1uat s VAL 95 CO 0.06 0.02 -0.21 -0.75 -3.33 0.00 0.00 175.10 170.89 1uat s LYS 96 N 0.24 2.92 0.11 1.54 2.20 -1.26 -1.07 119.74 124.43 1uat s LYS 96 Ca -0.02 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.79 1uat s LYS 96 Cb -0.03 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.90 1uat s LYS 96 CO -0.01 0.29 -0.05 -0.59 -0.36 0.00 0.00 175.35 174.63 1uat s PHE 97 N 0.08 0.94 0.16 4.03 -0.71 -0.40 -4.97 117.98 117.11 1uat s PHE 97 Ca -0.09 -0.94 -0.30 0.00 -1.04 0.00 0.00 56.93 54.56 1uat s PHE 97 Cb -0.15 -0.54 -0.07 0.00 -1.21 0.00 0.00 43.02 41.05 1uat s PHE 97 CO 0.06 -0.17 1.06 0.15 -1.34 0.00 0.00 175.22 174.97 1uat s LYS 98 N -3.85 4.63 0.49 1.99 1.02 -1.26 -1.07 119.74 121.69 1uat s LYS 98 Ca 0.14 1.63 0.28 0.00 0.02 0.00 0.00 55.97 58.04 1uat s LYS 98 Cb 0.05 -3.31 1.09 0.00 -0.52 0.00 0.00 37.83 35.14 1uat s LYS 98 CO -0.03 0.13 1.88 0.28 -0.92 0.00 0.00 175.35 176.69 1uat h VAL 99 N 3.81 0.27 0.00 3.17 2.07 -1.41 -2.12 116.25 122.03 1uat h VAL 99 Ca -0.44 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1uat h VAL 99 Cb 1.21 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1uat h VAL 99 CO 0.72 0.11 0.00 0.77 0.02 0.00 0.00 177.57 179.19 1uat h SER 100 N 0.00 0.00 1.05 0.57 4.64 -1.89 -0.82 113.55 117.10 1uat h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uat h SER 100 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1uat h SER 100 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1uat h ALA 101 N 2.08 1.00 -2.51 5.18 0.00 -1.77 -3.45 119.26 119.79 1uat h ALA 101 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1uat h ALA 101 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1uat h ALA 101 CO 0.00 0.00 -0.42 -0.51 0.00 0.00 0.00 179.25 178.32 1uat s LEU 102 N -5.18 4.30 -0.03 0.00 1.02 -0.31 -5.12 118.68 113.35 1uat s LEU 102 Ca 0.04 0.24 0.06 0.00 0.02 0.00 0.00 54.13 54.49 1uat s LEU 102 Cb 0.09 -2.99 -0.01 0.00 0.02 0.00 0.00 46.19 43.30 1uat s LEU 102 CO 0.50 0.01 -0.21 -0.55 0.02 0.00 0.00 176.35 176.12 1uat s SER 103 N -3.29 2.49 0.91 2.29 0.15 -1.26 -5.04 113.70 109.95 1uat s SER 103 Ca 0.36 -0.40 -0.11 0.00 0.70 0.00 0.00 55.95 56.50 1uat s SER 103 Cb -0.11 -0.50 0.14 0.00 -1.71 0.00 0.00 66.02 63.84 1uat s SER 103 CO 0.29 0.22 1.10 -0.75 1.20 0.00 0.00 173.24 175.30 1uat s LYS 104 N -0.25 1.07 0.00 5.44 2.36 -1.26 -2.79 119.74 124.32 1uat s LYS 104 Ca 0.02 1.20 0.00 0.00 -2.55 0.00 0.00 55.97 54.64 1uat s LYS 104 Cb -0.10 -1.76 0.00 0.00 -1.05 0.00 0.00 37.83 34.92 1uat s LYS 104 CO 0.01 -2.48 0.00 -0.25 1.55 0.00 0.00 175.35 174.18 1uat n ASP 105 N -4.09 0.00 -4.81 1.43 9.92 -1.26 -5.00 116.55 112.73 1uat n ASP 105 Ca 0.09 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.10 1uat n ASP 105 Cb 0.53 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.96 1uat n ASP 105 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1uat s GLU 106 N -0.19 2.91 -0.19 -1.24 2.56 -1.12 -5.13 118.70 116.31 1uat s GLU 106 Ca 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 54.97 54.01 1uat s GLU 106 Cb 0.00 -2.63 -0.02 0.00 2.00 0.00 0.00 34.13 33.48 1uat s GLU 106 CO 0.00 0.46 -0.02 0.00 -0.56 0.00 0.00 175.26 175.14 1uat s ALA 107 N -1.85 2.99 0.08 6.30 0.00 -1.26 -4.91 121.76 123.11 1uat s ALA 107 Ca 0.31 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.42 1uat s ALA 107 Cb -0.09 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1uat s ALA 107 CO 0.24 -0.06 -0.24 0.71 0.00 0.00 0.00 175.76 176.41 1uat s TYR 108 N 0.84 2.38 -0.04 0.00 2.02 -1.24 -1.30 117.35 120.00 1uat s TYR 108 Ca -0.00 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 1uat s TYR 108 Cb -0.14 -1.34 0.01 0.00 -0.40 0.00 0.00 41.96 40.08 1uat s TYR 108 CO 0.02 0.25 -0.09 0.99 -1.57 0.00 0.00 175.55 175.15 1uat s THR 109 N -0.96 0.85 0.07 -0.71 2.01 -0.06 -1.99 115.64 114.85 1uat s THR 109 Ca 0.14 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1uat s THR 109 Cb -0.10 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1uat s THR 109 CO 0.05 0.28 0.18 -0.72 -0.69 0.00 0.00 174.62 173.72 1uat s TYR 110 N 0.56 3.44 0.22 4.92 1.13 -0.41 -1.98 117.35 125.24 1uat s TYR 110 Ca -0.10 0.21 -0.22 0.00 -1.41 0.00 0.00 57.07 55.55 1uat s TYR 110 Cb -0.13 -1.73 0.04 0.00 -1.10 0.00 0.00 41.96 39.05 1uat s TYR 110 CO 0.02 0.57 0.69 -0.59 -2.51 0.00 0.00 175.55 173.73 1uat s PHE 111 N -1.49 -0.32 -0.20 -3.49 -0.71 -0.26 -1.07 117.98 110.45 1uat s PHE 111 Ca 0.34 -0.03 -0.13 0.00 -1.04 0.00 0.00 56.93 56.07 1uat s PHE 111 Cb -0.13 0.65 -0.05 0.00 -1.21 0.00 0.00 43.02 42.28 1uat s PHE 111 CO 0.27 -1.06 0.25 0.00 -1.34 0.00 0.00 175.22 173.33 1uat n SER 113 N 3.90 3.00 -4.70 0.00 3.41 -1.26 -2.37 113.62 115.61 1uat n SER 113 Ca -0.13 -1.94 -0.44 0.00 -0.26 0.00 0.00 58.87 56.11 1uat n SER 113 Cb 0.52 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 1uat n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uat n TYR 114 N 1.18 2.46 -1.70 7.33 4.19 -1.26 -4.59 117.16 124.76 1uat n TYR 114 Ca 0.19 0.28 -0.61 0.00 3.31 0.00 0.00 57.90 61.07 1uat n TYR 114 Cb 0.52 -2.55 -0.08 0.00 0.49 0.00 0.00 39.34 37.72 1uat n TYR 114 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1uat n PRO 115 N 2.74 0.76 0.00 2.98 -0.02 -1.26 -0.91 135.00 139.29 1uat n PRO 115 Ca 0.13 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1uat n PRO 115 Cb 0.33 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1uat n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uat n GLY 116 N 4.34 2.77 0.18 -1.23 0.00 -1.26 -4.91 105.19 105.08 1uat n GLY 116 Ca 0.29 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.38 1uat n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1uat h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.25 -3.32 115.15 116.05 1uat h HIS 117 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1uat h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1uat h HIS 117 CO 0.00 0.31 -0.05 0.27 0.86 0.00 0.00 177.93 179.33 1uat h PHE 118 N 0.00 0.00 -0.10 2.45 -0.00 -1.65 0.11 116.94 117.75 1uat h PHE 118 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 1uat h PHE 118 Cb 1.09 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.04 1uat h PHE 118 CO 0.00 0.05 0.03 1.03 -0.00 0.00 0.00 178.31 179.42 1uat h SER 119 N 0.00 0.14 0.09 -0.68 0.87 -1.88 -3.36 113.55 108.72 1uat h SER 119 Ca -0.00 -0.19 -0.36 0.00 -1.23 0.00 0.00 61.79 60.01 1uat h SER 119 Cb 0.16 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.03 1uat h SER 119 CO 0.01 0.29 -2.27 1.15 -0.53 0.00 0.00 176.83 175.48 1uat n MET 120 N -4.90 0.68 -2.94 2.24 -0.00 -1.01 -4.80 117.12 106.38 1uat n MET 120 Ca -0.06 0.10 -0.44 0.00 -0.00 0.00 0.00 57.70 57.31 1uat n MET 120 Cb 0.13 -1.58 -0.02 0.00 -0.00 0.00 0.00 33.22 31.75 1uat n MET 120 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1uat s MET 121 N -2.52 3.64 0.25 3.17 0.00 0.36 -4.82 119.30 119.38 1uat s MET 121 Ca -0.17 -1.84 -0.20 0.00 0.00 0.00 0.00 55.69 53.48 1uat s MET 121 Cb 0.07 -4.92 0.03 0.00 0.00 0.00 0.00 34.83 30.01 1uat s MET 121 CO 0.76 -1.76 0.67 -0.98 0.00 0.00 0.00 175.02 173.72 1uat s ARG 122 N 2.54 1.67 0.36 4.11 1.70 -1.26 -2.20 118.95 125.87 1uat s ARG 122 Ca 0.33 -0.92 -0.17 0.00 -0.47 0.00 0.00 55.73 54.51 1uat s ARG 122 Cb -0.05 0.59 0.06 0.00 -0.57 0.00 0.00 34.95 34.98 1uat s ARG 122 CO -0.09 -0.75 0.81 0.20 -1.08 0.00 0.00 175.30 174.40 1uat s GLY 123 N -2.90 0.33 -0.06 3.88 0.00 -0.23 -4.84 107.32 103.50 1uat s GLY 123 Ca 0.10 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1uat s GLY 123 CO 0.03 -0.02 -0.06 -1.59 0.00 0.00 0.00 173.10 171.46 1uat s THR 124 N -2.33 3.78 -0.06 0.90 2.01 0.05 -1.29 115.64 118.70 1uat s THR 124 Ca 0.16 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.71 1uat s THR 124 Cb -0.05 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 1uat s THR 124 CO 0.11 0.56 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.16 1uat s LEU 125 N -0.93 2.01 -0.02 4.42 0.20 -0.84 -0.58 118.68 122.95 1uat s LEU 125 Ca 0.13 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.52 1uat s LEU 125 Cb -0.11 -1.24 -0.00 0.00 -0.43 0.00 0.00 46.19 44.40 1uat s LEU 125 CO 0.03 0.20 -0.11 -0.54 -0.29 0.00 0.00 176.35 175.64 1uat s LYS 126 N -0.00 0.96 -0.36 1.98 1.02 -0.31 -3.67 119.74 119.36 1uat s LYS 126 Ca -0.06 -0.38 -0.26 0.00 0.02 0.00 0.00 55.97 55.29 1uat s LYS 126 Cb -0.14 -0.91 0.01 0.00 -0.52 0.00 0.00 37.83 36.28 1uat s LYS 126 CO 0.04 0.20 0.93 -1.17 -0.92 0.00 0.00 175.35 174.43 1uat s LEU 127 N -0.10 4.00 -0.25 3.17 0.20 -1.26 -0.62 118.68 123.81 1uat s LEU 127 Ca 0.02 0.60 -0.04 0.00 0.69 0.00 0.00 54.13 55.39 1uat s LEU 127 Cb -0.06 -3.27 0.01 0.00 -0.43 0.00 0.00 46.19 42.44 1uat s LEU 127 CO -0.00 -0.85 -0.01 -1.61 -0.29 0.00 0.00 176.35 173.59 1uat s GLU 128 N 3.47 3.14 0.00 1.98 0.41 -0.01 -4.79 118.70 122.90 1uat s GLU 128 Ca 0.38 -0.79 0.30 0.00 -0.41 0.00 0.00 54.97 54.45 1uat s GLU 128 Cb -0.12 -3.12 1.49 0.00 -1.78 0.00 0.00 34.13 30.60 1uat s GLU 128 CO 0.18 -0.33 1.99 -0.85 -0.49 0.00 0.00 175.26 175.77