#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5t s LYS 2 N 0.00 3.49 0.21 0.03 2.20 -1.26 -5.01 119.74 119.41 2k5t s LYS 2 Ca 0.00 -1.68 -0.30 0.00 -0.36 0.00 0.00 55.97 53.63 2k5t s LYS 2 Cb 0.00 -4.73 -0.08 0.00 -1.51 0.00 0.00 37.83 31.51 2k5t s LYS 2 CO 0.00 -1.71 1.08 -1.17 -0.36 0.00 0.00 175.35 173.18 2k5t s LEU 3 N 2.61 4.53 -0.33 5.43 2.96 -1.26 -4.90 118.68 127.71 2k5t s LEU 3 Ca 0.28 2.12 -0.05 0.00 -0.22 0.00 0.00 54.13 56.26 2k5t s LEU 3 Cb -0.08 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.04 2k5t s LEU 3 CO -0.06 -0.15 0.08 -0.89 -1.32 0.00 0.00 176.35 174.02 2k5t s THR 4 N -0.62 3.54 -0.39 3.68 2.01 -0.75 -4.97 115.64 118.14 2k5t s THR 4 Ca 0.47 -1.26 -0.22 0.00 0.31 0.00 0.00 61.69 61.00 2k5t s THR 4 Cb -0.29 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.19 2k5t s THR 4 CO 0.36 -0.19 0.69 -0.51 -0.69 0.00 0.00 174.62 174.29 2k5t s ILE 5 N 1.35 4.81 0.11 1.82 1.10 -1.26 -0.09 121.20 129.03 2k5t s ILE 5 Ca -0.02 0.56 0.08 0.00 -0.51 0.00 0.00 60.65 60.75 2k5t s ILE 5 Cb -0.20 -4.17 -0.04 0.00 0.15 0.00 0.00 42.46 38.21 2k5t s ILE 5 CO 0.01 -0.45 -0.13 -0.63 -2.11 0.00 0.00 174.94 171.64 2k5t s ILE 6 N 2.91 3.20 -0.35 2.00 1.09 0.10 -4.91 121.20 125.24 2k5t s ILE 6 Ca 0.27 -1.34 -0.29 0.00 -1.10 0.00 0.00 60.65 58.19 2k5t s ILE 6 Cb -0.14 -2.49 0.00 0.00 -1.06 0.00 0.00 42.46 38.78 2k5t s ILE 6 CO 0.17 0.11 1.39 -0.60 -0.10 0.00 0.00 174.94 175.91 2k5t s ARG 7 N -2.18 3.73 -0.54 2.79 3.52 -1.26 -0.43 118.95 124.59 2k5t s ARG 7 Ca 0.20 1.14 -0.27 0.00 -0.13 0.00 0.00 55.73 56.67 2k5t s ARG 7 Cb -0.11 -3.97 -0.03 0.00 -1.56 0.00 0.00 34.95 29.28 2k5t s ARG 7 CO 0.12 -1.36 1.94 -1.17 -0.81 0.00 0.00 175.30 174.03 2k5t s LEU 8 N 4.99 3.35 -0.27 -0.88 2.96 -0.73 -4.77 118.68 123.33 2k5t s LEU 8 Ca 0.60 0.65 -0.15 0.00 -0.22 0.00 0.00 54.13 55.02 2k5t s LEU 8 Cb -0.16 -2.72 -0.13 0.00 0.50 0.00 0.00 46.19 43.68 2k5t s LEU 8 CO 0.28 -2.34 -0.29 1.21 -1.32 0.00 0.00 176.35 173.90 2k5t n GLU 9 N 9.01 0.59 -4.30 1.98 2.13 -1.26 -4.69 120.64 124.10 2k5t n GLU 9 Ca 0.24 0.30 -0.22 0.00 0.66 0.00 0.00 57.16 58.13 2k5t n GLU 9 Cb 0.51 -1.52 -0.13 0.00 0.27 0.00 0.00 31.44 30.58 2k5t n GLU 9 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2k5t s LYS 10 N -2.49 1.05 -0.11 5.31 1.02 -1.26 -4.99 119.74 118.26 2k5t s LYS 10 Ca -0.38 -1.04 -0.02 0.00 0.02 0.00 0.00 55.97 54.55 2k5t s LYS 10 Cb 0.14 -1.21 -0.03 0.00 -0.52 0.00 0.00 37.83 36.21 2k5t s LYS 10 CO 0.50 0.28 -0.02 -0.06 -0.92 0.00 0.00 175.35 175.14 2k5t s PHE 11 N -1.12 3.09 0.31 3.18 0.40 -1.26 -5.08 117.98 117.49 2k5t s PHE 11 Ca 0.04 0.03 0.10 0.00 -0.60 0.00 0.00 56.93 56.49 2k5t s PHE 11 Cb -0.10 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 41.54 2k5t s PHE 11 CO 0.03 0.29 -0.04 -1.12 0.70 0.00 0.00 175.22 175.08 2k5t s SER 12 N -0.44 4.17 0.17 1.36 0.01 -1.26 -5.00 113.70 112.71 2k5t s SER 12 Ca 0.08 -0.89 -0.12 0.00 1.31 0.00 0.00 55.95 56.32 2k5t s SER 12 Cb -0.12 -0.58 0.07 0.00 0.21 0.00 0.00 66.02 65.60 2k5t s SER 12 CO 0.02 -0.11 1.73 -0.78 0.41 0.00 0.00 173.24 174.52 2k5t h ASP 13 N 1.92 0.80 0.17 2.44 3.58 -1.99 0.20 116.42 123.54 2k5t h ASP 13 Ca -0.43 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 56.85 2k5t h ASP 13 Cb 1.25 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2k5t h ASP 13 CO 0.63 0.74 -0.08 -0.61 -2.88 0.00 0.00 179.24 177.04 2k5t h GLN 14 N 0.81 -0.22 0.00 0.28 4.15 -2.00 -2.58 115.11 115.55 2k5t h GLN 14 Ca 0.20 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.63 2k5t h GLN 14 Cb 0.18 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.92 2k5t h GLN 14 CO -0.02 0.04 0.00 0.38 -1.93 0.00 0.00 178.83 177.30 2k5t h ASP 15 N -0.48 0.00 -0.40 -0.69 2.03 -1.96 -1.65 116.42 113.27 2k5t h ASP 15 Ca -0.02 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.24 2k5t h ASP 15 Cb 0.37 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.85 2k5t h ASP 15 CO 0.04 0.00 0.11 -0.09 -1.03 0.00 0.00 179.24 178.27 2k5t h ARG 16 N 0.00 0.62 -0.18 4.15 2.43 -0.39 -0.67 114.38 120.34 2k5t h ARG 16 Ca 0.00 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 58.92 2k5t h ARG 16 Cb 0.57 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2k5t h ARG 16 CO 0.00 0.63 -0.35 0.82 -1.51 0.00 0.00 179.97 179.57 2k5t h ILE 17 N 0.50 1.29 -0.75 1.20 2.04 -1.04 -2.37 117.51 118.38 2k5t h ILE 17 Ca 0.13 -1.43 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 2k5t h ILE 17 Cb 0.28 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 2k5t h ILE 17 CO -0.00 0.44 0.27 -0.78 0.00 0.00 0.00 178.15 178.08 2k5t h ASP 18 N 0.33 1.04 -0.43 1.72 3.58 -1.00 -0.43 116.42 121.23 2k5t h ASP 18 Ca 0.04 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.25 2k5t h ASP 18 Cb 0.77 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 2k5t h ASP 18 CO 0.06 0.94 0.05 -0.07 -2.88 0.00 0.00 179.24 177.35 2k5t h LEU 19 N 1.09 0.76 -0.33 2.28 3.38 -0.89 -1.75 115.31 119.85 2k5t h LEU 19 Ca 0.25 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2k5t h LEU 19 Cb 0.24 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2k5t h LEU 19 CO -0.02 0.79 0.00 0.00 0.09 0.00 0.00 178.44 179.30 2k5t n GLN 20 N -4.24 0.15 0.06 1.13 6.02 -0.63 -0.55 117.38 119.32 2k5t n GLN 20 Ca 0.03 0.30 0.03 0.00 -0.01 0.00 0.00 57.00 57.35 2k5t n GLN 20 Cb 0.27 -1.75 -0.05 0.00 1.02 0.00 0.00 30.24 29.73 2k5t n GLN 20 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2k5t h LYS 21 N 0.00 0.00 0.01 -1.09 3.64 -0.28 -3.19 116.57 115.66 2k5t h LYS 21 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2k5t h LYS 21 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2k5t h LYS 21 CO 0.00 0.24 -0.08 0.82 -2.27 0.00 0.00 179.45 178.16 2k5t h ILE 22 N 0.00 1.68 -3.64 2.00 2.04 -0.65 -3.39 117.51 115.55 2k5t h ILE 22 Ca -0.11 -2.11 -0.75 0.00 1.00 0.00 0.00 64.86 62.89 2k5t h ILE 22 Cb 1.43 3.10 -0.29 0.00 -0.74 0.00 0.00 36.82 40.32 2k5t h ILE 22 CO 0.04 0.55 -0.12 0.26 0.00 0.00 0.00 178.15 178.88 2k5t s TRP 23 N -2.69 3.58 0.32 1.37 0.51 0.29 -4.93 118.94 117.39 2k5t s TRP 23 Ca -0.18 -2.20 0.01 0.00 -2.12 0.00 0.00 56.10 51.62 2k5t s TRP 23 Cb -0.02 -3.58 0.53 0.00 -0.81 0.00 0.00 33.47 29.60 2k5t s TRP 23 CO 0.70 -0.94 1.92 -1.00 -0.51 0.00 0.00 176.95 177.12 2k5t h PRO 24 N 7.64 0.80 -0.63 4.98 0.13 -1.76 -2.56 132.00 140.59 2k5t h PRO 24 Ca 0.01 -0.11 -0.26 0.00 -0.87 0.00 0.00 66.00 64.77 2k5t h PRO 24 Cb 1.02 -0.15 -0.16 0.00 0.13 0.00 0.00 31.00 31.84 2k5t h PRO 24 CO 0.76 0.64 0.24 0.39 -0.23 0.00 0.00 178.00 179.80 2k5t n GLU 25 N -4.35 2.65 -2.65 0.86 1.02 -1.26 -4.95 120.64 111.95 2k5t n GLU 25 Ca 0.05 -3.07 -0.42 0.00 -0.02 0.00 0.00 57.16 53.70 2k5t n GLU 25 Cb 0.14 -2.04 -0.03 0.00 -0.02 0.00 0.00 31.44 29.50 2k5t n GLU 25 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2k5t s TYR 26 N -3.14 3.51 -0.25 -0.32 5.04 -0.97 -5.02 117.35 116.21 2k5t s TYR 26 Ca 0.51 1.57 -0.20 0.00 -2.44 0.00 0.00 57.07 56.50 2k5t s TYR 26 Cb 0.43 -3.21 -0.02 0.00 0.35 0.00 0.00 41.96 39.51 2k5t s TYR 26 CO 0.08 -0.34 0.63 0.45 -1.34 0.00 0.00 175.55 175.03 2k5t s SER 27 N 1.12 6.58 -0.14 4.32 0.15 -1.26 -5.00 113.70 119.46 2k5t s SER 27 Ca 0.51 0.71 -0.31 0.00 0.70 0.00 0.00 55.95 57.56 2k5t s SER 27 Cb -0.20 -2.34 -0.08 0.00 -1.71 0.00 0.00 66.02 61.69 2k5t s SER 27 CO 0.22 -0.37 2.09 -2.65 1.20 0.00 0.00 173.24 173.72 2k5t n PRO 28 N 5.71 2.12 0.00 5.44 -0.02 -1.26 -4.53 135.00 142.46 2k5t n PRO 28 Ca -0.01 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2k5t n PRO 28 Cb 0.49 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 2k5t n PRO 28 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2k5t n SER 29 N 9.37 0.00 0.00 2.55 3.41 -1.26 -5.07 113.62 122.61 2k5t n SER 29 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2k5t n SER 29 Cb 0.38 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2k5t n SER 29 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k5t n SER 30 N -1.12 0.00 -3.81 4.04 7.64 -1.26 -4.94 113.62 114.17 2k5t n SER 30 Ca 0.00 0.39 -0.23 0.00 1.01 0.00 0.00 58.87 60.03 2k5t n SER 30 Cb 0.00 -0.24 0.01 0.00 -1.01 0.00 0.00 64.21 62.97 2k5t n SER 30 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k5t n LEU 31 N -1.22 -2.73 -4.61 -3.43 4.77 -1.26 -4.92 117.00 103.60 2k5t n LEU 31 Ca 0.00 -0.89 -0.41 0.00 -0.03 0.00 0.00 56.01 54.67 2k5t n LEU 31 Cb 0.00 -2.48 -0.06 0.00 -2.33 0.00 0.00 43.42 38.55 2k5t n LEU 31 CO 0.00 0.42 0.50 -1.58 -1.33 0.00 0.00 177.39 175.39 2k5t s GLN 32 N -6.24 3.96 -0.04 3.23 0.74 -1.26 -5.04 119.66 115.01 2k5t s GLN 32 Ca 0.04 0.48 0.06 0.00 0.05 0.00 0.00 55.36 55.99 2k5t s GLN 32 Cb -0.02 -3.72 -0.01 0.00 1.10 0.00 0.00 33.01 30.36 2k5t s GLN 32 CO 0.84 -0.61 -0.22 0.14 -0.55 0.00 0.00 175.29 174.89 2k5t s VAL 33 N 2.78 1.77 0.00 1.34 -7.23 -1.24 -4.51 120.40 113.31 2k5t s VAL 33 Ca 0.29 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2k5t s VAL 33 Cb -0.15 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.30 2k5t s VAL 33 CO 0.12 0.50 0.00 -0.67 -0.31 0.00 0.00 175.10 174.74 2k5t n ASP 34 N 2.83 -3.48 -3.78 4.85 2.03 -0.08 -4.90 116.55 114.02 2k5t n ASP 34 Ca -0.17 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.86 2k5t n ASP 34 Cb 0.52 -1.56 -0.11 0.00 -0.72 0.00 0.00 41.12 39.25 2k5t n ASP 34 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2k5t n ASP 35 N -0.33 3.18 0.00 1.67 8.00 -1.26 -4.82 116.55 122.99 2k5t n ASP 35 Ca 0.00 -3.27 0.00 0.00 0.71 0.00 0.00 54.79 52.23 2k5t n ASP 35 Cb 0.16 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 2k5t n ASP 35 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k5t n ASN 36 N 1.68 0.00 -4.23 -2.24 5.03 -1.26 -4.81 115.26 109.43 2k5t n ASN 36 Ca 0.23 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.32 2k5t n ASN 36 Cb 0.37 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 38.99 2k5t n ASN 36 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2k5t s HIS 37 N 0.00 3.18 -0.16 3.10 3.76 -1.26 -0.37 115.29 123.54 2k5t s HIS 37 Ca 0.00 -1.53 -0.01 0.00 -0.15 0.00 0.00 55.06 53.37 2k5t s HIS 37 Cb 0.00 -2.15 -0.01 0.00 1.11 0.00 0.00 32.58 31.53 2k5t s HIS 37 CO 0.00 -0.73 -0.11 1.03 -0.85 0.00 0.00 174.74 174.09 2k5t s ARG 38 N 1.35 3.36 -0.28 1.40 0.52 0.81 -0.91 118.95 125.19 2k5t s ARG 38 Ca -0.02 -0.68 -0.11 0.00 -0.52 0.00 0.00 55.73 54.41 2k5t s ARG 38 Cb -0.18 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.50 2k5t s ARG 38 CO -0.01 0.06 0.19 0.42 0.02 0.00 0.00 175.30 175.98 2k5t s ILE 39 N 0.76 5.25 -0.16 1.52 1.01 -1.26 -0.12 121.20 128.20 2k5t s ILE 39 Ca -0.04 0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 2k5t s ILE 39 Cb -0.15 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2k5t s ILE 39 CO 0.01 0.24 0.09 -0.31 0.00 0.00 0.00 174.94 174.97 2k5t s TYR 40 N 1.75 3.35 -0.20 3.97 2.02 -0.07 -1.77 117.35 126.40 2k5t s TYR 40 Ca 0.07 0.23 -0.05 0.00 -0.37 0.00 0.00 57.07 56.95 2k5t s TYR 40 Cb -0.16 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 2k5t s TYR 40 CO 0.11 0.33 -0.00 0.00 -1.57 0.00 0.00 175.55 174.42 2k5t s ALA 41 N -0.04 3.03 -0.65 3.71 0.00 0.43 -1.68 121.76 126.55 2k5t s ALA 41 Ca 0.08 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.86 2k5t s ALA 41 Cb -0.12 -1.75 0.10 0.00 0.00 0.00 0.00 23.12 21.35 2k5t s ALA 41 CO 0.01 -0.12 0.84 0.00 0.00 0.00 0.00 175.76 176.48 2k5t s ALA 42 N 0.95 3.32 -0.13 0.00 0.00 0.81 -0.72 121.76 125.98 2k5t s ALA 42 Ca 0.01 -2.18 -0.22 0.00 0.00 0.00 0.00 51.96 49.57 2k5t s ALA 42 Cb -0.14 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.25 2k5t s ALA 42 CO 0.02 -2.56 0.68 0.50 0.00 0.00 0.00 175.76 174.39 2k5t s ARG 43 N 3.10 4.33 -0.40 0.00 3.52 0.87 -0.18 118.95 130.19 2k5t s ARG 43 Ca 0.17 0.77 0.03 0.00 -0.13 0.00 0.00 55.73 56.57 2k5t s ARG 43 Cb -0.19 -3.51 0.11 0.00 -1.56 0.00 0.00 34.95 29.80 2k5t s ARG 43 CO 0.06 -0.09 0.15 0.12 -0.81 0.00 0.00 175.30 174.73 2k5t s PHE 44 N 1.35 2.82 -0.58 5.12 5.36 0.56 -1.82 117.98 130.80 2k5t s PHE 44 Ca 0.34 -2.66 -0.06 0.00 -0.96 0.00 0.00 56.93 53.58 2k5t s PHE 44 Cb -0.17 -2.43 0.01 0.00 -0.34 0.00 0.00 43.02 40.09 2k5t s PHE 44 CO 0.14 -0.85 0.63 0.09 -1.46 0.00 0.00 175.22 173.77 2k5t n ASN 45 N 3.95 -7.60 0.00 6.13 4.13 -1.26 -3.71 115.26 116.89 2k5t n ASN 45 Ca 0.04 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.48 2k5t n ASN 45 Cb 0.38 -5.15 0.00 0.00 -1.54 0.00 0.00 39.78 33.47 2k5t n ASN 45 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2k5t n GLU 46 N -1.13 0.00 -3.11 3.52 -0.58 -1.26 -4.90 120.64 113.19 2k5t n GLU 46 Ca 0.05 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.49 2k5t n GLU 46 Cb 0.47 -0.14 -0.04 0.00 -0.57 0.00 0.00 31.44 31.17 2k5t n GLU 46 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2k5t s ARG 47 N 0.00 3.75 -0.48 3.49 0.52 -1.24 -5.00 118.95 119.99 2k5t s ARG 47 Ca 0.00 0.31 -0.22 0.00 -0.52 0.00 0.00 55.73 55.30 2k5t s ARG 47 Cb 0.00 -2.51 0.04 0.00 0.52 0.00 0.00 34.95 32.99 2k5t s ARG 47 CO 0.00 0.11 0.74 -0.51 0.02 0.00 0.00 175.30 175.66 2k5t s LEU 48 N -3.55 4.45 0.05 2.53 1.43 -1.26 -0.32 118.68 122.01 2k5t s LEU 48 Ca 0.49 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 2k5t s LEU 48 Cb -0.11 -2.75 -0.23 0.00 0.03 0.00 0.00 46.19 43.13 2k5t s LEU 48 CO 0.28 -0.94 1.04 0.25 0.23 0.00 0.00 176.35 177.21 2k5t h LEU 49 N 10.10 0.10 -7.91 1.79 5.85 -0.89 -3.47 115.31 120.88 2k5t h LEU 49 Ca -0.26 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.22 2k5t h LEU 49 Cb 1.09 -0.03 -0.16 0.00 0.37 0.00 0.00 40.66 41.92 2k5t h LEU 49 CO 0.97 1.11 -0.49 0.00 -0.34 0.00 0.00 178.44 179.69 2k5t s ALA 50 N -2.66 -0.06 -0.09 1.25 0.00 -1.05 -2.17 121.76 116.98 2k5t s ALA 50 Ca -0.03 -0.64 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 2k5t s ALA 50 Cb 0.09 0.32 0.03 0.00 0.00 0.00 0.00 23.12 23.56 2k5t s ALA 50 CO 0.83 -0.39 0.23 0.00 0.00 0.00 0.00 175.76 176.44 2k5t s ALA 51 N -3.17 -0.55 -0.01 0.00 0.00 -0.79 -0.14 121.76 117.10 2k5t s ALA 51 Ca -0.00 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.76 2k5t s ALA 51 Cb 0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 2k5t s ALA 51 CO -0.07 -0.15 -0.06 0.54 0.00 0.00 0.00 175.76 176.02 2k5t s VAL 52 N 0.62 0.49 -0.17 0.00 0.11 -0.67 -2.32 120.40 118.45 2k5t s VAL 52 Ca -0.04 -0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 58.69 2k5t s VAL 52 Cb -0.06 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2k5t s VAL 52 CO -0.04 0.15 0.07 -0.13 -3.33 0.00 0.00 175.10 171.83 2k5t s ARG 53 N -0.01 3.91 -0.13 1.54 0.52 -0.78 -0.89 118.95 123.11 2k5t s ARG 53 Ca 0.01 -0.32 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 2k5t s ARG 53 Cb -0.04 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.24 2k5t s ARG 53 CO -0.00 0.34 -0.14 0.54 0.02 0.00 0.00 175.30 176.06 2k5t s VAL 54 N 0.19 1.49 -0.43 3.52 0.11 0.84 -2.26 120.40 123.86 2k5t s VAL 54 Ca 0.05 -0.61 -0.20 0.00 -2.93 0.00 0.00 61.98 58.30 2k5t s VAL 54 Cb -0.12 -1.39 0.02 0.00 -1.53 0.00 0.00 36.38 33.36 2k5t s VAL 54 CO 0.00 0.44 0.58 -0.89 -3.33 0.00 0.00 175.10 171.90 2k5t s THR 55 N 1.29 4.91 -0.63 5.04 2.01 0.13 -0.14 115.64 128.26 2k5t s THR 55 Ca 0.00 -0.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 2k5t s THR 55 Cb -0.14 -4.16 0.11 0.00 0.01 0.00 0.00 72.50 68.33 2k5t s THR 55 CO -0.07 -0.54 0.73 -0.76 -0.69 0.00 0.00 174.62 173.29 2k5t s LEU 56 N 2.61 5.50 -0.64 4.42 1.43 0.50 0.04 118.68 132.53 2k5t s LEU 56 Ca 0.19 -1.58 -0.18 0.00 -1.03 0.00 0.00 54.13 51.53 2k5t s LEU 56 Cb -0.15 -2.30 0.12 0.00 0.03 0.00 0.00 46.19 43.90 2k5t s LEU 56 CO 0.17 -1.06 0.72 -0.55 0.23 0.00 0.00 176.35 175.86 2k5t s SER 57 N 3.53 6.30 1.24 2.29 0.15 0.09 -4.76 113.70 122.54 2k5t s SER 57 Ca 0.13 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 55.08 2k5t s SER 57 Cb -0.22 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2k5t s SER 57 CO 0.04 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.08 2k5t n GLY 58 N 5.13 1.40 0.36 9.45 0.00 -1.26 -1.83 105.19 118.45 2k5t n GLY 58 Ca -0.04 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.15 2k5t n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k5t n THR 59 N 0.00 1.29 -4.29 2.61 -2.24 -1.26 -4.99 114.28 105.40 2k5t n THR 59 Ca 0.00 -1.28 -0.35 0.00 -2.27 0.00 0.00 64.05 60.15 2k5t n THR 59 Cb 0.00 0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 68.44 2k5t n THR 59 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2k5t s GLU 60 N -1.48 3.19 -0.26 -0.78 2.12 -0.76 -4.06 118.70 116.67 2k5t s GLU 60 Ca 0.18 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 55.12 2k5t s GLU 60 Cb 0.13 -2.89 0.04 0.00 0.26 0.00 0.00 34.13 31.66 2k5t s GLU 60 CO 0.07 0.63 -0.06 0.20 -0.54 0.00 0.00 175.26 175.56 2k5t s GLY 61 N -0.66 1.65 -0.41 -1.50 0.00 -0.25 -0.73 107.32 105.42 2k5t s GLY 61 Ca 0.11 -1.56 -0.17 0.00 0.00 0.00 0.00 44.72 43.10 2k5t s GLY 61 CO 0.02 0.56 0.44 0.00 0.00 0.00 0.00 173.10 174.12 2k5t s ALA 62 N 1.27 3.43 -0.44 3.20 0.00 0.11 -0.55 121.76 128.78 2k5t s ALA 62 Ca -0.02 -1.43 -0.19 0.00 0.00 0.00 0.00 51.96 50.31 2k5t s ALA 62 Cb -0.18 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 19.93 2k5t s ALA 62 CO -0.04 -1.51 0.56 -0.51 0.00 0.00 0.00 175.76 174.26 2k5t s LEU 63 N 2.17 4.67 0.00 0.00 1.43 0.14 0.23 118.68 127.31 2k5t s LEU 63 Ca 0.13 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2k5t s LEU 63 Cb -0.17 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.47 2k5t s LEU 63 CO 0.14 -0.71 0.00 -0.90 0.23 0.00 0.00 176.35 175.11 2k5t n ASP 64 N 6.00 0.00 -4.54 2.29 5.75 -0.96 -0.35 116.55 124.74 2k5t n ASP 64 Ca -0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.32 2k5t n ASP 64 Cb 0.48 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 2k5t n ASP 64 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2k5t s SER 65 N -2.41 6.68 -0.50 -1.12 0.01 -1.26 -4.71 113.70 110.40 2k5t s SER 65 Ca 0.00 -2.01 -0.13 0.00 1.31 0.00 0.00 55.95 55.12 2k5t s SER 65 Cb 0.00 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.81 2k5t s SER 65 CO 0.00 -1.27 0.43 -0.22 0.41 0.00 0.00 173.24 172.59 2k5t s LEU 66 N 4.10 5.92 -0.05 2.44 2.96 -1.26 -1.86 118.68 130.93 2k5t s LEU 66 Ca 0.47 -1.78 0.00 0.00 -0.22 0.00 0.00 54.13 52.60 2k5t s LEU 66 Cb 0.00 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.59 2k5t s LEU 66 CO -0.03 -0.77 -0.02 -0.60 -1.32 0.00 0.00 176.35 173.61 2k5t s ARG 67 N 1.51 0.70 0.19 1.98 3.52 -0.98 -5.04 118.95 120.83 2k5t s ARG 67 Ca 0.04 -0.02 0.08 0.00 -0.13 0.00 0.00 55.73 55.70 2k5t s ARG 67 Cb -0.28 -0.84 -0.04 0.00 -1.56 0.00 0.00 34.95 32.23 2k5t s ARG 67 CO 0.02 -0.16 -0.02 0.08 -0.81 0.00 0.00 175.30 174.42 2k5t s VAL 68 N 1.26 3.59 0.34 7.11 1.01 -1.26 -1.89 120.40 130.56 2k5t s VAL 68 Ca -0.06 -1.54 -0.29 0.00 0.00 0.00 0.00 61.98 60.09 2k5t s VAL 68 Cb -0.14 -2.82 -0.11 0.00 0.00 0.00 0.00 36.38 33.31 2k5t s VAL 68 CO -0.02 -0.15 1.55 -0.13 0.00 0.00 0.00 175.10 176.35 2k5t s ARG 69 N -3.05 4.10 0.30 2.72 0.52 -0.92 -4.87 118.95 117.76 2k5t s ARG 69 Ca 0.28 2.59 0.06 0.00 -0.52 0.00 0.00 55.73 58.14 2k5t s ARG 69 Cb -0.09 -2.99 0.80 0.00 0.52 0.00 0.00 34.95 33.19 2k5t s ARG 69 CO 0.18 -0.60 1.71 0.93 0.02 0.00 0.00 175.30 177.54 2k5t h GLU 70 N 3.91 0.46 0.00 3.54 5.08 -1.97 0.66 114.58 126.27 2k5t h GLU 70 Ca -0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2k5t h GLU 70 Cb 1.23 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2k5t h GLU 70 CO 0.72 0.31 0.00 1.33 -1.00 0.00 0.00 179.01 180.36 2k5t n VAL 71 N -4.98 0.00 0.06 3.13 0.24 -1.26 -2.67 118.33 112.86 2k5t n VAL 71 Ca 0.24 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.66 2k5t n VAL 71 Cb 0.70 -0.55 0.27 0.00 -1.47 0.00 0.00 33.84 32.79 2k5t n VAL 71 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2k5t n THR 72 N -0.88 0.73 -2.10 3.34 -1.04 0.22 -4.88 114.28 109.67 2k5t n THR 72 Ca 0.12 -0.83 -0.42 0.00 -2.04 0.00 0.00 64.05 60.88 2k5t n THR 72 Cb 0.05 0.67 -0.03 0.00 -1.82 0.00 0.00 70.33 69.21 2k5t n THR 72 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2k5t s ARG 73 N -1.27 3.17 0.00 -2.82 0.52 -1.09 -4.55 118.95 112.91 2k5t s ARG 73 Ca 0.43 1.04 0.00 0.00 -0.52 0.00 0.00 55.73 56.67 2k5t s ARG 73 Cb 0.23 -4.22 0.00 0.00 0.52 0.00 0.00 34.95 31.49 2k5t s ARG 73 CO 0.31 -2.06 0.00 -2.13 0.02 0.00 0.00 175.30 171.44 2k5t n ARG 74 N 8.60 0.00 0.00 3.54 0.63 -1.26 -5.14 116.66 123.03 2k5t n ARG 74 Ca 0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 2k5t n ARG 74 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 2k5t n ARG 74 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2k5t n ARG 75 N -0.89 0.00 0.00 -0.14 0.63 -1.26 -5.09 116.66 109.91 2k5t n ARG 75 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2k5t n ARG 75 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2k5t n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k5t n GLY 76 N 0.00 -0.23 0.28 5.14 0.00 -1.26 -4.98 105.19 104.14 2k5t n GLY 76 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.21 2k5t n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k5t h VAL 77 N 0.00 0.41 0.52 1.61 2.07 -1.96 0.05 116.25 118.95 2k5t h VAL 77 Ca 0.00 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2k5t h VAL 77 Cb 0.00 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2k5t h VAL 77 CO 0.00 0.03 -0.37 1.23 0.02 0.00 0.00 177.57 178.48 2k5t h GLY 78 N 0.18 -1.09 1.77 2.17 0.00 -1.94 0.96 103.07 105.12 2k5t h GLY 78 Ca 0.43 0.47 -0.10 0.00 0.00 0.00 0.00 47.33 48.13 2k5t h GLY 78 CO -0.60 -0.36 -0.36 1.46 0.00 0.00 0.00 176.54 176.68 2k5t h GLN 79 N -0.85 0.26 -0.10 4.80 4.20 -1.93 -2.62 115.11 118.87 2k5t h GLN 79 Ca -0.07 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.53 2k5t h GLN 79 Cb 0.70 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 2k5t h GLN 79 CO 0.04 0.59 0.04 -0.92 -0.67 0.00 0.00 178.83 177.92 2k5t h TYR 80 N 0.23 0.08 -0.01 2.96 5.03 -0.89 -1.52 116.97 122.85 2k5t h TYR 80 Ca 0.03 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.37 2k5t h TYR 80 Cb 0.75 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 38.95 2k5t h TYR 80 CO 0.01 0.05 -0.36 1.25 -1.32 0.00 0.00 178.16 177.79 2k5t h LEU 81 N 0.10 -1.08 -0.60 2.82 5.85 -0.44 0.12 115.31 122.09 2k5t h LEU 81 Ca 0.04 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2k5t h LEU 81 Cb 0.01 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2k5t h LEU 81 CO -0.03 -0.41 0.36 -0.07 -0.34 0.00 0.00 178.44 177.94 2k5t h LEU 82 N -0.51 0.57 -0.05 2.25 -0.00 -1.43 -1.76 115.31 114.38 2k5t h LEU 82 Ca 0.06 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2k5t h LEU 82 Cb 0.60 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2k5t h LEU 82 CO -0.29 0.39 0.02 -0.33 -0.00 0.00 0.00 178.44 178.23 2k5t h GLU 83 N 0.69 0.08 -0.38 1.13 5.08 -0.76 -2.37 114.58 118.04 2k5t h GLU 83 Ca 0.25 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2k5t h GLU 83 Cb 0.06 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2k5t h GLU 83 CO -0.12 0.22 0.04 1.49 -1.00 0.00 0.00 179.01 179.64 2k5t h GLU 84 N -0.07 0.59 -0.56 2.33 4.81 -0.50 0.14 114.58 121.31 2k5t h GLU 84 Ca 0.02 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2k5t h GLU 84 Cb 0.17 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2k5t h GLU 84 CO -0.00 0.58 0.31 0.28 -0.73 0.00 0.00 179.01 179.45 2k5t h VAL 85 N 0.57 1.18 0.00 0.32 2.07 -1.22 0.14 116.25 119.30 2k5t h VAL 85 Ca 0.12 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 2k5t h VAL 85 Cb 0.30 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2k5t h VAL 85 CO 0.01 0.19 -0.25 -0.07 0.02 0.00 0.00 177.57 177.47 2k5t h LEU 86 N 0.75 0.00 0.03 2.57 4.07 -0.72 -0.89 115.31 121.12 2k5t h LEU 86 Ca 0.20 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.88 2k5t h LEU 86 Cb 0.03 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.80 2k5t h LEU 86 CO -0.03 0.25 -1.13 0.03 -1.08 0.00 0.00 178.44 176.48 2k5t h ARG 87 N 0.00 0.60 -0.25 1.13 2.47 -0.21 -3.17 114.38 114.96 2k5t h ARG 87 Ca -0.00 -0.73 -0.10 0.00 -1.26 0.00 0.00 59.98 57.89 2k5t h ARG 87 Cb 0.79 0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 29.33 2k5t h ARG 87 CO 0.03 1.31 -0.28 -0.97 0.56 0.00 0.00 179.97 180.62 2k5t h ASN 88 N 0.30 0.50 -3.07 7.04 -0.73 -0.49 -3.34 115.58 115.79 2k5t h ASN 88 Ca -0.15 -0.18 -0.62 0.00 1.87 0.00 0.00 56.30 57.22 2k5t h ASN 88 Cb 1.79 -0.14 -0.42 0.00 0.27 0.00 0.00 38.32 39.83 2k5t h ASN 88 CO 0.21 0.76 -0.55 0.59 -0.37 0.00 0.00 177.43 178.08 2k5t n ASN 89 N -4.10 3.12 -0.02 1.15 3.02 -0.36 -4.90 115.26 113.17 2k5t n ASN 89 Ca -0.01 -3.22 0.13 0.00 -0.03 0.00 0.00 54.58 51.45 2k5t n ASN 89 Cb 0.43 -0.77 0.39 0.00 -0.61 0.00 0.00 39.78 39.21 2k5t n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2k5t n PRO 90 N 1.93 0.07 0.05 3.52 -0.04 -1.20 -3.70 135.00 135.64 2k5t n PRO 90 Ca 0.20 -0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.53 2k5t n PRO 90 Cb 0.35 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.33 2k5t n PRO 90 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2k5t h GLY 91 N 4.99 0.44 -7.13 0.55 0.00 -1.90 -3.40 103.07 96.62 2k5t h GLY 91 Ca 0.00 -0.64 -0.54 0.00 0.00 0.00 0.00 47.33 46.14 2k5t h GLY 91 CO 0.00 0.57 1.18 0.14 0.00 0.00 0.00 176.54 178.44 2k5t s VAL 92 N -3.56 3.64 -1.13 4.60 1.01 -1.24 -4.81 120.40 118.91 2k5t s VAL 92 Ca -0.06 0.54 0.16 0.00 0.00 0.00 0.00 61.98 62.62 2k5t s VAL 92 Cb 0.10 -4.19 0.51 0.00 0.00 0.00 0.00 36.38 32.80 2k5t s VAL 92 CO 0.84 -0.98 1.43 -1.54 0.00 0.00 0.00 175.10 174.85 2k5t n SER 93 N 10.38 3.70 -3.77 3.32 3.41 -1.26 -4.77 113.62 124.63 2k5t n SER 93 Ca 0.16 -2.22 -0.30 0.00 -0.26 0.00 0.00 58.87 56.25 2k5t n SER 93 Cb 0.49 -0.41 -0.15 0.00 -0.26 0.00 0.00 64.21 63.89 2k5t n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k5t s TRP 95 N 1.53 3.05 -0.20 0.00 0.52 0.03 -1.09 118.94 122.79 2k5t s TRP 95 Ca 0.10 -0.56 -0.01 0.00 0.02 0.00 0.00 56.10 55.65 2k5t s TRP 95 Cb -0.17 -2.19 0.01 0.00 -1.15 0.00 0.00 33.47 29.96 2k5t s TRP 95 CO -0.23 -0.40 -0.12 -0.46 0.02 0.00 0.00 176.95 175.75 2k5t s TRP 96 N 1.54 2.86 -0.19 -1.98 -0.11 0.28 -0.75 118.94 120.60 2k5t s TRP 96 Ca 0.06 -1.27 -0.06 0.00 1.22 0.00 0.00 56.10 56.05 2k5t s TRP 96 Cb -0.15 -2.00 -0.03 0.00 -1.50 0.00 0.00 33.47 29.79 2k5t s TRP 96 CO 0.02 -0.66 0.02 -1.64 -4.62 0.00 0.00 176.95 170.06 2k5t s MET 97 N 1.34 3.72 0.09 5.86 -1.94 0.12 0.24 119.30 128.73 2k5t s MET 97 Ca 0.05 -0.47 -0.08 0.00 -1.71 0.00 0.00 55.69 53.48 2k5t s MET 97 Cb -0.14 -3.11 -0.06 0.00 2.01 0.00 0.00 34.83 33.54 2k5t s MET 97 CO -0.08 0.10 0.37 0.00 -0.01 0.00 0.00 175.02 175.40 2k5t s ALA 98 N 0.79 3.77 -1.04 3.03 0.00 0.52 -0.11 121.76 128.72 2k5t s ALA 98 Ca 0.01 -0.47 0.10 0.00 0.00 0.00 0.00 51.96 51.60 2k5t s ALA 98 Cb -0.14 -2.19 0.45 0.00 0.00 0.00 0.00 23.12 21.24 2k5t s ALA 98 CO 0.02 0.61 1.26 -0.40 0.00 0.00 0.00 175.76 177.26 2k5t n ASP 99 N 0.69 3.31 -4.58 0.00 5.75 -1.26 -4.65 116.55 115.80 2k5t n ASP 99 Ca -0.07 -2.37 -0.42 0.00 -0.01 0.00 0.00 54.79 51.93 2k5t n ASP 99 Cb 0.52 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 40.08 2k5t n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k5t s ALA 100 N -1.83 2.74 0.00 2.12 0.00 -1.26 -1.84 121.76 121.69 2k5t s ALA 100 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2k5t s ALA 100 Cb 0.21 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2k5t s ALA 100 CO 0.13 -2.91 0.00 0.41 0.00 0.00 0.00 175.76 173.39 2k5t n GLY 101 N 5.38 0.55 3.53 0.00 0.00 -1.26 -4.62 105.19 108.77 2k5t n GLY 101 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2k5t n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5t s VAL 102 N -2.04 4.47 -0.02 1.61 1.01 -0.77 -4.90 120.40 119.76 2k5t s VAL 102 Ca 0.00 0.35 -0.22 0.00 0.00 0.00 0.00 61.98 62.11 2k5t s VAL 102 Cb 0.00 -4.47 -0.23 0.00 0.00 0.00 0.00 36.38 31.68 2k5t s VAL 102 CO 0.00 -0.98 1.07 -0.33 0.00 0.00 0.00 175.10 174.86 2k5t h GLU 103 N 9.20 0.28 -4.21 2.72 3.07 -1.96 -3.39 114.58 120.29 2k5t h GLU 103 Ca -0.26 -0.30 -0.76 0.00 -0.50 0.00 0.00 59.36 57.54 2k5t h GLU 103 Cb 1.08 0.08 -0.23 0.00 -0.84 0.00 0.00 28.75 28.84 2k5t h GLU 103 CO 1.05 1.00 0.85 0.34 -1.40 0.00 0.00 179.01 180.85 2k5t s ASP 104 N -6.51 7.12 0.33 1.42 -1.08 -1.26 -4.81 116.67 111.89 2k5t s ASP 104 Ca -0.15 -3.16 0.14 0.00 -0.52 0.00 0.00 52.55 48.86 2k5t s ASP 104 Cb 0.02 -2.31 0.55 0.00 -1.46 0.00 0.00 42.92 39.72 2k5t s ASP 104 CO 0.78 -0.56 1.70 0.03 0.52 0.00 0.00 175.17 177.64 2k5t h ARG 105 N 7.12 0.00 0.37 4.34 3.08 -1.99 -2.68 114.38 124.61 2k5t h ARG 105 Ca 0.23 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 2k5t h ARG 105 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2k5t h ARG 105 CO 1.10 0.49 -0.18 0.78 -1.07 0.00 0.00 179.97 181.09 2k5t h GLY 106 N 1.72 -0.52 1.00 0.04 0.00 -1.97 -0.46 103.07 102.88 2k5t h GLY 106 Ca -0.00 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2k5t h GLY 106 CO 0.06 -0.19 0.41 -2.08 0.00 0.00 0.00 176.54 174.74 2k5t h VAL 107 N -0.71 1.21 -0.47 4.60 2.07 -1.98 -2.70 116.25 118.27 2k5t h VAL 107 Ca -0.05 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 2k5t h VAL 107 Cb 0.50 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2k5t h VAL 107 CO 0.08 0.22 0.04 0.24 0.02 0.00 0.00 177.57 178.18 2k5t h MET 108 N 0.97 0.75 -0.43 1.57 2.07 -1.43 -0.08 114.93 118.36 2k5t h MET 108 Ca 0.25 -0.18 -0.04 0.00 -2.07 0.00 0.00 59.70 57.66 2k5t h MET 108 Cb 0.00 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 29.61 2k5t h MET 108 CO -0.04 0.74 0.10 1.15 1.07 0.00 0.00 176.91 179.92 2k5t h THR 109 N 0.71 1.23 -0.43 2.22 2.02 -0.77 0.30 112.91 118.20 2k5t h THR 109 Ca 0.15 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 2k5t h THR 109 Cb 0.38 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2k5t h THR 109 CO 0.01 0.29 -0.05 0.00 0.37 0.00 0.00 175.52 176.14 2k5t h ALA 110 N 0.96 1.10 -0.40 6.16 0.00 -1.18 -1.00 119.26 124.90 2k5t h ALA 110 Ca 0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2k5t h ALA 110 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k5t h ALA 110 CO 0.00 0.56 0.09 0.35 0.00 0.00 0.00 179.25 180.25 2k5t h PHE 111 N 0.68 0.67 -0.63 0.00 3.57 -0.59 -2.44 116.94 118.19 2k5t h PHE 111 Ca 0.13 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2k5t h PHE 111 Cb 0.49 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 2k5t h PHE 111 CO 0.02 0.65 0.31 0.52 -2.23 0.00 0.00 178.31 177.59 2k5t h MET 112 N 0.50 0.90 -0.98 1.11 2.86 -0.12 -2.16 114.93 117.04 2k5t h MET 112 Ca 0.12 -0.13 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 2k5t h MET 112 Cb 0.33 -0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.75 2k5t h MET 112 CO 0.00 0.72 0.63 0.37 1.06 0.00 0.00 176.91 179.69 2k5t h GLN 113 N 0.87 1.10 0.00 1.72 4.15 -1.05 0.26 115.11 122.16 2k5t h GLN 113 Ca 0.22 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.49 2k5t h GLN 113 Cb 0.11 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 2k5t h GLN 113 CO -0.03 0.73 -0.36 0.00 -1.93 0.00 0.00 178.83 177.24 2k5t h ALA 114 N 1.45 1.38 -0.00 3.38 0.00 -0.94 -1.72 119.26 122.81 2k5t h ALA 114 Ca 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k5t h ALA 114 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k5t h ALA 114 CO -0.18 0.46 -0.19 1.28 0.00 0.00 0.00 179.25 180.62 2k5t n LEU 115 N -4.08 0.37 0.00 0.00 4.77 -0.32 -4.92 117.00 112.82 2k5t n LEU 115 Ca -0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2k5t n LEU 115 Cb 0.40 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2k5t n LEU 115 CO 0.39 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2k5t n GLY 116 N 1.40 0.55 3.73 -0.72 0.00 -0.20 -5.04 105.19 104.91 2k5t n GLY 116 Ca 0.10 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 2k5t n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5t s PHE 117 N -2.00 3.65 0.36 1.61 0.40 0.74 -4.81 117.98 117.94 2k5t s PHE 117 Ca 0.00 1.36 0.02 0.00 -0.60 0.00 0.00 56.93 57.71 2k5t s PHE 117 Cb 0.00 -2.82 -0.02 0.00 0.51 0.00 0.00 43.02 40.69 2k5t s PHE 117 CO 0.00 0.18 0.55 0.95 0.70 0.00 0.00 175.22 177.59 2k5t s THR 118 N 0.40 4.63 -0.31 0.64 -4.23 -0.04 -4.02 115.64 112.70 2k5t s THR 118 Ca 0.38 -0.63 -0.14 0.00 -1.18 0.00 0.00 61.69 60.12 2k5t s THR 118 Cb -0.19 -3.67 -0.02 0.00 1.34 0.00 0.00 72.50 69.95 2k5t s THR 118 CO 0.21 -0.40 0.34 0.28 -0.54 0.00 0.00 174.62 174.51 2k5t s THR 119 N -2.32 5.19 0.40 3.99 -1.32 -1.26 -0.23 115.64 120.09 2k5t s THR 119 Ca 0.42 0.19 0.07 0.00 -1.21 0.00 0.00 61.69 61.17 2k5t s THR 119 Cb -0.10 -3.75 -0.08 0.00 -1.51 0.00 0.00 72.50 67.07 2k5t s THR 119 CO 0.35 0.02 0.01 -1.58 -2.21 0.00 0.00 174.62 171.21 2k5t s GLN 120 N 1.99 1.92 -0.78 7.08 -0.44 0.52 -4.92 119.66 125.01 2k5t s GLN 120 Ca 0.12 -2.08 -0.25 0.00 -2.50 0.00 0.00 55.36 50.65 2k5t s GLN 120 Cb -0.16 -1.55 -0.03 0.00 -1.64 0.00 0.00 33.01 29.63 2k5t s GLN 120 CO 0.11 -0.06 1.86 -0.65 0.50 0.00 0.00 175.29 177.05 2k5t s GLN 121 N -3.73 2.67 0.00 1.67 -0.21 -1.26 -1.78 119.66 117.02 2k5t s GLN 121 Ca 0.35 0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.76 2k5t s GLN 121 Cb 0.09 -4.77 0.00 0.00 1.00 0.00 0.00 33.01 29.34 2k5t s GLN 121 CO 0.18 -3.00 0.00 0.41 -2.12 0.00 0.00 175.29 170.76 2k5t n GLY 122 N 6.33 0.98 0.00 3.09 0.00 -1.26 -5.07 105.19 109.26 2k5t n GLY 122 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2k5t n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5t n GLY 123 N 0.00 -0.05 3.70 -0.02 0.00 -0.74 -4.70 105.19 103.39 2k5t n GLY 123 Ca 0.00 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 2k5t n GLY 123 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k5t s TRP 124 N -4.00 3.32 -0.08 1.61 0.51 0.85 -0.36 118.94 120.79 2k5t s TRP 124 Ca 0.00 0.21 0.04 0.00 -2.12 0.00 0.00 56.10 54.23 2k5t s TRP 124 Cb 0.00 -2.01 -0.00 0.00 -0.81 0.00 0.00 33.47 30.65 2k5t s TRP 124 CO 0.00 0.34 -0.23 -2.00 -0.51 0.00 0.00 176.95 174.55 2k5t s GLU 125 N -0.11 2.75 -0.12 4.98 2.12 0.68 0.15 118.70 129.16 2k5t s GLU 125 Ca 0.08 -0.83 -0.03 0.00 0.36 0.00 0.00 54.97 54.55 2k5t s GLU 125 Cb -0.12 -2.15 0.04 0.00 0.26 0.00 0.00 34.13 32.16 2k5t s GLU 125 CO 0.01 0.22 0.04 0.21 -0.54 0.00 0.00 175.26 175.20 2k5t s LYS 126 N 0.23 0.38 -0.26 4.30 2.20 0.07 -0.86 119.74 125.81 2k5t s LYS 126 Ca -0.14 -0.01 -0.03 0.00 -0.36 0.00 0.00 55.97 55.43 2k5t s LYS 126 Cb -0.16 -1.34 0.01 0.00 -1.51 0.00 0.00 37.83 34.83 2k5t s LYS 126 CO 0.07 -0.46 -0.02 0.00 -0.36 0.00 0.00 175.35 174.58