#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nct h LYS -5 N 0.00 0.73 0.00 1.43 5.09 -1.97 -3.33 116.57 118.52 1nct h LYS -5 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.70 1nct h LYS -5 Cb 0.00 -0.17 0.00 0.00 0.10 0.00 0.00 32.23 32.16 1nct h LYS -5 CO 0.00 0.48 0.00 0.25 -2.09 0.00 0.00 179.45 178.09 1nct n THR -4 N -4.75 0.00 -1.51 0.07 -2.24 -1.26 -5.02 114.28 99.57 1nct n THR -4 Ca 0.23 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.00 1nct n THR -4 Cb 0.58 -0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 1nct n THR -4 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1nct n THR -3 N -0.82 0.00 -0.38 4.28 5.66 -1.25 -5.15 114.28 116.61 1nct n THR -3 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1nct n THR -3 Cb 0.00 0.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 1nct n THR -3 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1nct n LEU -2 N 0.00 0.00 0.00 1.09 0.00 -1.26 -5.06 117.00 111.77 1nct n LEU -2 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.97 1nct n LEU -2 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.70 1nct n LEU -2 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.37 1nct n ALA -1 N -3.00 0.00 -3.65 1.96 0.00 -1.26 -4.76 120.51 109.80 1nct n ALA -1 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1nct n ALA -1 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1nct n ALA -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nct s ALA 0 N -1.00 -0.39 -0.08 0.00 0.00 -1.26 -3.65 121.76 115.39 1nct s ALA 0 Ca 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 52.67 1nct s ALA 0 Cb 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 23.12 22.19 1nct s ALA 0 CO 0.00 -0.66 0.15 -0.98 0.00 0.00 0.00 175.76 174.27 1nct s ARG 1 N 2.37 0.03 -0.95 0.00 1.04 -1.05 -4.16 118.95 116.22 1nct s ARG 1 Ca 0.02 0.52 -0.24 0.00 -1.04 0.00 0.00 55.73 54.99 1nct s ARG 1 Cb -0.12 -0.28 -0.00 0.00 -2.04 0.00 0.00 34.95 32.50 1nct s ARG 1 CO -0.08 -0.29 1.73 0.42 -0.04 0.00 0.00 175.30 177.04 1nct s ILE 2 N 2.14 3.66 0.39 4.99 1.01 -1.26 -1.97 121.20 130.15 1nct s ILE 2 Ca 0.02 -0.54 0.18 0.00 0.00 0.00 0.00 60.65 60.31 1nct s ILE 2 Cb -0.12 -4.47 0.39 0.00 0.01 0.00 0.00 42.46 38.27 1nct s ILE 2 CO -0.05 -1.38 1.77 0.25 0.00 0.00 0.00 174.94 175.52 1nct h LEU 3 N 15.63 0.46 -7.36 2.97 6.46 0.38 -3.41 115.31 130.44 1nct h LEU 3 Ca 0.14 0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.87 1nct h LEU 3 Cb 1.01 0.01 -0.22 0.00 -0.73 0.00 0.00 40.66 40.73 1nct h LEU 3 CO 1.31 0.09 -0.20 -0.89 -0.62 0.00 0.00 178.44 178.13 1nct s THR 4 N -5.50 0.03 0.52 1.05 2.01 -0.60 -4.91 115.64 108.24 1nct s THR 4 Ca -0.09 -0.21 0.06 0.00 0.31 0.00 0.00 61.69 61.76 1nct s THR 4 Cb 0.25 -0.65 0.03 0.00 0.01 0.00 0.00 72.50 72.14 1nct s THR 4 CO 0.80 -0.11 0.41 -1.59 -0.69 0.00 0.00 174.62 173.43 1nct s LYS 5 N -0.63 2.29 -0.28 4.92 -2.85 -1.26 -0.02 119.74 121.92 1nct s LYS 5 Ca -0.07 -1.92 -0.20 0.00 -1.00 0.00 0.00 55.97 52.77 1nct s LYS 5 Cb -0.04 -2.16 -0.02 0.00 -2.06 0.00 0.00 37.83 33.56 1nct s LYS 5 CO 0.03 -0.55 0.61 -1.25 0.10 0.00 0.00 175.35 174.30 1nct s PRO 6 N -4.26 4.01 1.27 1.78 0.04 -1.20 -4.46 135.00 132.18 1nct s PRO 6 Ca 0.38 0.41 -0.19 0.00 0.04 0.00 0.00 61.00 61.64 1nct s PRO 6 Cb -0.02 -3.68 0.28 0.00 0.04 0.00 0.00 34.50 31.12 1nct s PRO 6 CO 0.23 -0.47 0.67 2.89 0.04 0.00 0.00 177.00 180.36 1nct n ARG 7 N 5.76 -3.40 -0.48 4.56 1.85 -1.26 -4.64 116.66 119.05 1nct n ARG 7 Ca -0.01 -1.00 0.00 0.00 -1.00 0.00 0.00 57.85 55.84 1nct n ARG 7 Cb 0.49 -1.84 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 1nct n ARG 7 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1nct n SER 8 N -4.07 0.08 -2.94 2.89 7.64 -1.26 -4.86 113.62 111.09 1nct n SER 8 Ca 0.08 -0.46 0.02 0.00 1.01 0.00 0.00 58.87 59.52 1nct n SER 8 Cb 0.53 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.74 1nct n SER 8 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1nct n MET 9 N -0.44 0.08 -3.54 1.43 1.56 -0.88 -4.97 117.12 110.37 1nct n MET 9 Ca 0.00 -0.46 0.00 0.00 -0.27 0.00 0.00 57.70 56.97 1nct n MET 9 Cb 0.00 0.80 -0.04 0.00 2.15 0.00 0.00 33.22 36.13 1nct n MET 9 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1nct s THR 10 N -2.04 -0.80 0.39 1.12 2.01 -1.26 -3.52 115.64 111.53 1nct s THR 10 Ca 0.21 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.25 1nct s THR 10 Cb -0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1nct s THR 10 CO -0.01 0.00 0.15 0.68 -0.69 0.00 0.00 174.62 174.75 1nct s VAL 11 N 2.73 0.49 -0.05 3.82 -7.23 -0.72 -4.95 120.40 114.49 1nct s VAL 11 Ca -0.04 -2.00 0.13 0.00 -1.81 0.00 0.00 61.98 58.26 1nct s VAL 11 Cb -0.10 -2.38 -0.12 0.00 0.56 0.00 0.00 36.38 34.34 1nct s VAL 11 CO -0.18 0.00 1.08 0.22 -0.31 0.00 0.00 175.10 175.91 1nct h TYR 12 N 1.87 0.00 0.00 2.82 3.20 -1.82 -0.82 116.97 122.22 1nct h TYR 12 Ca -0.34 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1nct h TYR 12 Cb 1.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1nct h TYR 12 CO 1.50 0.75 0.00 -0.85 -1.64 0.00 0.00 178.16 177.92 1nct n GLU 13 N -3.13 0.00 -2.50 1.82 0.28 -1.26 -3.09 120.64 112.77 1nct n GLU 13 Ca -0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.54 1nct n GLU 13 Cb 0.88 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.77 1nct n GLU 13 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nct n GLY 14 N 0.00 6.02 0.00 -1.84 0.00 -1.26 -4.76 105.19 103.35 1nct n GLY 14 Ca 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 46.02 43.46 1nct n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nct n GLU 15 N -0.13 0.00 0.00 1.61 -0.58 -1.26 -4.26 120.64 116.02 1nct n GLU 15 Ca 0.48 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 1nct n GLU 15 Cb 0.26 -0.91 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 1nct n GLU 15 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1nct n SER 16 N -0.55 0.00 -4.67 1.62 3.41 -1.24 -4.81 113.62 107.38 1nct n SER 16 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1nct n SER 16 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1nct n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nct s ALA 17 N 0.00 3.53 0.04 7.33 0.00 -1.19 -4.93 121.76 126.54 1nct s ALA 17 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.08 1nct s ALA 17 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1nct s ALA 17 CO 0.00 -0.72 0.01 0.50 0.00 0.00 0.00 175.76 175.55 1nct s ARG 18 N 2.33 2.73 0.33 0.00 3.52 -1.26 -1.94 118.95 124.67 1nct s ARG 18 Ca 0.40 -0.69 0.05 0.00 -0.13 0.00 0.00 55.73 55.36 1nct s ARG 18 Cb -0.16 -2.64 -0.03 0.00 -1.56 0.00 0.00 34.95 30.55 1nct s ARG 18 CO 0.12 0.59 0.20 -0.06 -0.81 0.00 0.00 175.30 175.34 1nct s PHE 19 N -1.20 1.67 -0.30 5.12 0.08 0.51 -4.94 117.98 118.93 1nct s PHE 19 Ca 0.23 -1.47 -0.17 0.00 0.12 0.00 0.00 56.93 55.63 1nct s PHE 19 Cb -0.12 -0.85 0.19 0.00 -0.57 0.00 0.00 43.02 41.68 1nct s PHE 19 CO 0.14 -0.62 1.20 0.45 -0.10 0.00 0.00 175.22 176.29 1nct s SER 20 N -3.41 -0.18 -0.12 1.36 0.15 -1.26 -2.84 113.70 107.39 1nct s SER 20 Ca 0.35 0.30 0.02 0.00 0.70 0.00 0.00 55.95 57.32 1nct s SER 20 Cb 0.04 0.96 0.01 0.00 -1.71 0.00 0.00 66.02 65.32 1nct s SER 20 CO 0.20 -0.05 -0.17 0.00 1.20 0.00 0.00 173.24 174.42 1nct s ASP 22 N 0.96 6.39 -0.08 0.00 1.01 0.97 -1.03 116.67 124.90 1nct s ASP 22 Ca -0.06 -0.08 0.04 0.00 0.71 0.00 0.00 52.55 53.16 1nct s ASP 22 Cb -0.15 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 1nct s ASP 22 CO -0.02 -0.76 -0.20 0.42 0.21 0.00 0.00 175.17 174.81 1nct s THR 23 N 2.94 2.46 0.33 -1.27 -4.23 0.13 0.11 115.64 116.11 1nct s THR 23 Ca 0.26 -0.91 0.08 0.00 -1.18 0.00 0.00 61.69 59.94 1nct s THR 23 Cb -0.14 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1nct s THR 23 CO 0.19 0.56 0.25 -1.81 -0.54 0.00 0.00 174.62 173.27 1nct s ASP 24 N -0.07 5.17 0.00 3.99 1.11 -0.83 -3.70 116.67 122.34 1nct s ASP 24 Ca -0.05 -0.53 0.00 0.00 0.18 0.00 0.00 52.55 52.15 1nct s ASP 24 Cb -0.14 -0.96 0.00 0.00 1.07 0.00 0.00 42.92 42.89 1nct s ASP 24 CO 0.04 -0.31 0.00 0.61 1.18 0.00 0.00 175.17 176.70 1nct n GLY 25 N -1.30 1.46 3.16 0.21 0.00 -1.26 -2.54 105.19 104.93 1nct n GLY 25 Ca -0.03 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 1nct n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nct s GLU 26 N -2.00 1.73 0.33 1.61 2.56 -1.24 -3.34 118.70 118.34 1nct s GLU 26 Ca 0.00 -0.65 0.16 0.00 0.00 0.00 0.00 54.97 54.48 1nct s GLU 26 Cb 0.00 -1.55 0.49 0.00 2.00 0.00 0.00 34.13 35.07 1nct s GLU 26 CO 0.00 0.31 1.65 -1.00 -0.56 0.00 0.00 175.26 175.66 1nct h PRO 27 N 6.03 0.00 -2.92 4.30 0.13 -1.94 -1.29 132.00 136.31 1nct h PRO 27 Ca -0.34 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.65 1nct h PRO 27 Cb 1.16 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.05 1nct h PRO 27 CO 0.48 0.47 -0.31 0.08 -0.23 0.00 0.00 178.00 178.49 1nct s VAL 28 N -3.48 0.01 0.38 1.56 1.01 -1.21 -5.08 120.40 113.58 1nct s VAL 28 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 1nct s VAL 28 Cb 0.11 -0.50 0.09 0.00 0.00 0.00 0.00 36.38 36.08 1nct s VAL 28 CO 0.72 -0.03 0.47 -0.81 0.00 0.00 0.00 175.10 175.45 1nct n PRO 29 N 2.72 -0.75 -3.80 2.72 -0.04 -1.26 -4.69 135.00 129.90 1nct n PRO 29 Ca -0.14 -0.74 -0.12 0.00 -0.04 0.00 0.00 63.50 62.46 1nct n PRO 29 Cb 0.57 -0.53 -0.10 0.00 -0.04 0.00 0.00 33.50 33.41 1nct n PRO 29 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1nct s THR 30 N -2.00 0.05 -0.05 0.52 2.01 0.31 -4.95 115.64 111.53 1nct s THR 30 Ca 0.27 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.86 1nct s THR 30 Cb -0.01 -0.50 0.01 0.00 0.01 0.00 0.00 72.50 72.01 1nct s THR 30 CO 0.20 -0.24 -0.12 0.54 -0.69 0.00 0.00 174.62 174.30 1nct s VAL 31 N -1.01 1.09 -0.27 3.82 0.11 -1.26 -1.32 120.40 121.56 1nct s VAL 31 Ca -0.11 -0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 58.44 1nct s VAL 31 Cb -0.05 -0.98 0.08 0.00 -1.53 0.00 0.00 36.38 33.90 1nct s VAL 31 CO 0.02 0.34 0.06 -0.89 -3.33 0.00 0.00 175.10 171.30 1nct s THR 32 N 0.38 0.92 0.07 5.04 2.01 -1.22 -4.96 115.64 117.88 1nct s THR 32 Ca -0.09 -1.18 -0.30 0.00 0.31 0.00 0.00 61.69 60.43 1nct s THR 32 Cb -0.13 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 1nct s THR 32 CO 0.02 -0.47 1.10 0.26 -0.69 0.00 0.00 174.62 174.85 1nct s TRP 33 N 1.63 3.55 -0.22 4.92 0.52 -1.26 -1.12 118.94 126.96 1nct s TRP 33 Ca 0.05 1.50 -0.30 0.00 0.02 0.00 0.00 56.10 57.37 1nct s TRP 33 Cb -0.17 -3.29 0.16 0.00 -1.15 0.00 0.00 33.47 29.02 1nct s TRP 33 CO -0.18 -0.70 1.19 -0.48 0.02 0.00 0.00 176.95 176.80 1nct s LEU 34 N 0.69 -0.18 0.00 2.99 2.34 -0.61 -0.65 118.68 123.25 1nct s LEU 34 Ca 0.54 0.17 0.00 0.00 0.06 0.00 0.00 54.13 54.91 1nct s LEU 34 Cb -0.27 1.44 0.00 0.00 -0.56 0.00 0.00 46.19 46.80 1nct s LEU 34 CO 0.30 -0.19 0.00 -1.14 -1.06 0.00 0.00 176.35 174.26 1nct n ARG 35 N 0.51 0.00 -1.04 1.48 3.00 -1.26 -3.03 116.66 116.32 1nct n ARG 35 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.80 1nct n ARG 35 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 1nct n ARG 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1nct n LYS 36 N -1.11 0.08 -1.70 -0.14 5.02 -1.26 -4.99 118.16 114.06 1nct n LYS 36 Ca 0.00 -0.15 0.03 0.00 -2.02 0.00 0.00 58.31 56.17 1nct n LYS 36 Cb 0.00 0.31 0.03 0.00 -0.02 0.00 0.00 35.03 35.35 1nct n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nct n GLY 37 N -0.09 1.30 2.98 0.72 0.00 -1.26 -4.94 105.19 103.89 1nct n GLY 37 Ca -0.03 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1nct n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1nct n GLN 38 N 0.25 -2.29 -2.85 1.61 0.00 -1.26 -4.32 117.38 108.51 1nct n GLN 38 Ca 0.07 1.98 0.00 0.00 -0.00 0.00 0.00 57.00 59.05 1nct n GLN 38 Cb 1.07 -4.07 0.00 0.00 0.00 0.00 0.00 30.24 27.24 1nct n GLN 38 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1nct n VAL 39 N 0.37 -1.21 -0.58 1.69 0.24 -1.26 -4.63 118.33 112.95 1nct n VAL 39 Ca 0.02 0.15 0.46 0.00 -2.04 0.00 0.00 64.34 62.94 1nct n VAL 39 Cb 0.35 -2.43 0.77 0.00 -1.47 0.00 0.00 33.84 31.07 1nct n VAL 39 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1nct h LEU 40 N 4.33 0.05 -5.23 1.34 4.07 -1.08 -3.38 115.31 115.40 1nct h LEU 40 Ca 0.00 0.03 -0.24 0.00 0.08 0.00 0.00 57.88 57.75 1nct h LEU 40 Cb 0.30 0.03 -0.08 0.00 1.08 0.00 0.00 40.66 41.99 1nct h LEU 40 CO 0.00 -0.04 1.32 -1.54 -1.08 0.00 0.00 178.44 177.10 1nct n SER 41 N -4.15 -0.87 -2.66 -0.43 3.41 -1.26 -2.82 113.62 104.85 1nct n SER 41 Ca 0.39 -0.32 -0.02 0.00 -0.26 0.00 0.00 58.87 58.66 1nct n SER 41 Cb 1.74 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 65.31 1nct n SER 41 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1nct n THR 42 N 3.71 -0.08 -0.08 6.66 -2.24 -1.26 -4.74 114.28 116.25 1nct n THR 42 Ca 0.44 -0.04 -0.07 0.00 -2.27 0.00 0.00 64.05 62.12 1nct n THR 42 Cb 0.09 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.23 1nct n THR 42 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1nct h SER 43 N 0.81 -0.34 0.00 3.42 0.02 -1.66 -3.46 113.55 112.34 1nct h SER 43 Ca -0.05 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1nct h SER 43 Cb 0.11 0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1nct h SER 43 CO 0.06 -0.13 0.00 0.00 -1.14 0.00 0.00 176.83 175.62 1nct n ALA 44 N -2.60 0.00 -0.01 3.77 0.00 -1.26 -4.95 120.51 115.46 1nct n ALA 44 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1nct n ALA 44 Cb 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.50 1nct n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nct n ARG 45 N 0.00 0.58 -4.27 0.00 1.74 -1.26 -4.90 116.66 108.54 1nct n ARG 45 Ca 0.00 -0.16 -0.25 0.00 -0.77 0.00 0.00 57.85 56.67 1nct n ARG 45 Cb 0.00 -1.43 -0.08 0.00 -1.02 0.00 0.00 32.46 29.93 1nct n ARG 45 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1nct s HIS 46 N -3.22 2.58 -0.26 -1.55 -3.43 -1.26 -1.16 115.29 106.99 1nct s HIS 46 Ca -0.07 -0.56 -0.03 0.00 -0.80 0.00 0.00 55.06 53.60 1nct s HIS 46 Cb 0.11 -1.81 0.11 0.00 -1.43 0.00 0.00 32.58 29.56 1nct s HIS 46 CO 0.75 0.31 0.21 -1.14 -2.00 0.00 0.00 174.74 172.87 1nct s GLN 47 N -3.82 0.23 0.41 -0.38 2.00 -1.11 -4.05 119.66 112.93 1nct s GLN 47 Ca 0.38 -0.18 0.06 0.00 -2.00 0.00 0.00 55.36 53.62 1nct s GLN 47 Cb 0.04 -1.05 0.06 0.00 0.80 0.00 0.00 33.01 32.86 1nct s GLN 47 CO 0.21 -0.91 0.48 1.55 -0.50 0.00 0.00 175.29 176.12 1nct n VAL 48 N 5.29 0.00 -3.79 1.34 3.14 -1.26 -2.03 118.33 121.01 1nct n VAL 48 Ca -0.05 -1.44 -0.01 0.00 -2.96 0.00 0.00 64.34 59.88 1nct n VAL 48 Cb 0.46 -0.49 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 1nct n VAL 48 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1nct s THR 49 N -1.70 0.00 0.08 1.55 -1.32 -0.19 -4.73 115.64 109.34 1nct s THR 49 Ca 0.37 -0.45 -0.25 0.00 -1.21 0.00 0.00 61.69 60.15 1nct s THR 49 Cb -0.03 -2.41 0.07 0.00 -1.51 0.00 0.00 72.50 68.61 1nct s THR 49 CO 0.23 0.00 0.60 -0.89 -2.21 0.00 0.00 174.62 172.36 1nct s THR 50 N -2.52 0.01 0.00 5.08 2.01 -1.26 -1.92 115.64 117.03 1nct s THR 50 Ca 0.18 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1nct s THR 50 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1nct s THR 50 CO 0.01 -0.03 0.00 0.41 -0.69 0.00 0.00 174.62 174.32 1nct n THR 51 N 0.10 0.00 0.03 -0.82 -1.04 -1.09 -4.98 114.28 106.48 1nct n THR 51 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1nct n THR 51 Cb 0.62 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1nct n THR 51 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1nct n LYS 52 N -0.58 0.00 -0.70 -2.82 4.76 -1.26 -4.91 118.16 112.64 1nct n LYS 52 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1nct n LYS 52 Cb 0.00 -0.01 0.20 0.00 -1.84 0.00 0.00 35.03 33.38 1nct n LYS 52 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1nct n TYR 53 N -2.69 0.62 -3.43 2.13 4.02 -1.26 -4.08 117.16 112.46 1nct n TYR 53 Ca 0.00 -1.54 0.01 0.00 -0.01 0.00 0.00 57.90 56.36 1nct n TYR 53 Cb 0.00 -0.38 -0.03 0.00 -0.02 0.00 0.00 39.34 38.90 1nct n TYR 53 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1nct s LYS 54 N -3.23 0.46 0.55 -0.72 -2.85 -1.24 0.19 119.74 112.90 1nct s LYS 54 Ca 0.42 1.06 0.08 0.00 -1.00 0.00 0.00 55.97 56.52 1nct s LYS 54 Cb 0.39 0.63 0.07 0.00 -2.06 0.00 0.00 37.83 36.86 1nct s LYS 54 CO -0.03 -0.26 0.76 0.45 0.10 0.00 0.00 175.35 176.38 1nct s SER 55 N 2.77 5.15 -0.08 0.03 0.15 -0.20 -2.65 113.70 118.87 1nct s SER 55 Ca 0.01 -0.64 -0.18 0.00 0.70 0.00 0.00 55.95 55.83 1nct s SER 55 Cb -0.11 -0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1nct s SER 55 CO -0.18 -1.25 0.44 0.42 1.20 0.00 0.00 173.24 173.86 1nct s THR 56 N -2.65 0.02 -0.04 6.45 -4.23 -0.81 -1.66 115.64 112.72 1nct s THR 56 Ca 0.60 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1nct s THR 56 Cb -0.07 -0.70 0.03 0.00 1.34 0.00 0.00 72.50 73.10 1nct s THR 56 CO 0.38 -0.11 -0.01 0.12 -0.54 0.00 0.00 174.62 174.46 1nct s PHE 57 N -0.71 0.48 0.01 3.99 5.36 -1.13 -1.02 117.98 124.95 1nct s PHE 57 Ca -0.08 -0.07 0.05 0.00 -0.96 0.00 0.00 56.93 55.86 1nct s PHE 57 Cb -0.03 -0.54 -0.01 0.00 -0.34 0.00 0.00 43.02 42.09 1nct s PHE 57 CO 0.04 -0.18 -0.14 -1.83 -1.46 0.00 0.00 175.22 171.65 1nct s GLU 58 N 1.16 1.08 -0.08 10.12 4.04 -0.86 -0.36 118.70 133.80 1nct s GLU 58 Ca -0.08 -0.59 0.05 0.00 0.04 0.00 0.00 54.97 54.39 1nct s GLU 58 Cb -0.14 -1.07 -0.01 0.00 0.02 0.00 0.00 34.13 32.94 1nct s GLU 58 CO -0.02 0.28 -0.24 0.42 -1.84 0.00 0.00 175.26 173.87 1nct s ILE 59 N -0.50 2.16 0.00 1.83 1.01 -0.82 -2.75 121.20 122.13 1nct s ILE 59 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.68 1nct s ILE 59 Cb -0.06 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1nct s ILE 59 CO 0.00 0.57 0.27 -1.20 0.00 0.00 0.00 174.94 174.57 1nct n SER 60 N 3.14 0.00 0.00 3.58 7.64 -1.26 -3.19 113.62 123.52 1nct n SER 60 Ca -0.18 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 58.86 1nct n SER 60 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1nct n SER 60 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1nct n SER 61 N 0.00 0.34 -4.34 6.43 2.88 -1.14 -4.60 113.62 113.20 1nct n SER 61 Ca 0.00 -0.85 -0.44 0.00 -1.33 0.00 0.00 58.87 56.26 1nct n SER 61 Cb 0.42 0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 63.95 1nct n SER 61 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1nct n VAL 62 N -0.08 1.11 0.00 2.46 3.14 -0.31 -4.66 118.33 119.99 1nct n VAL 62 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1nct n VAL 62 Cb 0.12 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.86 1nct n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nct n GLN 63 N 1.20 0.00 -0.73 1.45 3.00 -1.26 -4.52 117.38 116.52 1nct n GLN 63 Ca 0.13 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.08 1nct n GLN 63 Cb 0.36 -0.13 -0.04 0.00 0.00 0.00 0.00 30.24 30.43 1nct n GLN 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nct n ALA 64 N -1.90 2.06 -1.88 -1.58 0.00 -1.26 -4.96 120.51 111.00 1nct n ALA 64 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1nct n ALA 64 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1nct n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nct n SER 65 N 0.00 0.00 0.05 0.00 2.88 -1.26 -4.87 113.62 110.42 1nct n SER 65 Ca -0.15 -1.34 0.12 0.00 -1.33 0.00 0.00 58.87 56.17 1nct n SER 65 Cb 0.52 -0.07 0.20 0.00 -0.75 0.00 0.00 64.21 64.10 1nct n SER 65 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1nct n ASP 66 N 0.00 0.66 -0.43 -3.46 9.92 -1.26 -4.94 116.55 117.04 1nct n ASP 66 Ca 0.00 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 1nct n ASP 66 Cb 0.57 0.14 0.00 0.00 -0.64 0.00 0.00 41.12 41.19 1nct n ASP 66 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1nct n GLU 67 N -2.02 0.00 0.00 -1.24 1.02 -1.26 -4.81 120.64 112.33 1nct n GLU 67 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1nct n GLU 67 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1nct n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nct n GLY 68 N 0.00 -0.19 1.68 0.62 0.00 -1.26 -4.17 105.19 101.87 1nct n GLY 68 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1nct n GLY 68 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nct n ASN 69 N -0.96 0.43 -4.12 1.61 4.13 -1.26 -1.73 115.26 113.36 1nct n ASN 69 Ca 0.00 0.40 -0.12 0.00 1.68 0.00 0.00 54.58 56.54 1nct n ASN 69 Cb 0.00 -0.45 -0.11 0.00 -1.54 0.00 0.00 39.78 37.69 1nct n ASN 69 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1nct s TYR 70 N 2.61 0.80 0.00 3.10 2.02 -0.46 -4.56 117.35 120.86 1nct s TYR 70 Ca 0.58 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 1nct s TYR 70 Cb -0.75 -0.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 1nct s TYR 70 CO 0.35 -0.11 0.00 0.43 -1.57 0.00 0.00 175.55 174.65 1nct n SER 71 N 0.76 0.00 -3.29 2.29 7.64 -1.17 -1.47 113.62 118.37 1nct n SER 71 Ca -0.18 -0.83 -0.05 0.00 1.01 0.00 0.00 58.87 58.82 1nct n SER 71 Cb 0.57 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 1nct n SER 71 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nct s VAL 72 N -2.10 -0.72 -1.14 0.44 0.11 -0.83 -1.58 120.40 114.58 1nct s VAL 72 Ca 0.00 -0.05 -0.16 0.00 -2.93 0.00 0.00 61.98 58.84 1nct s VAL 72 Cb 0.00 -0.87 0.14 0.00 -1.53 0.00 0.00 36.38 34.12 1nct s VAL 72 CO 0.00 -0.09 1.41 0.68 -3.33 0.00 0.00 175.10 173.77 1nct s VAL 73 N 2.64 4.76 -0.14 2.04 -7.23 -0.28 -0.87 120.40 121.32 1nct s VAL 73 Ca 0.15 -2.17 -0.28 0.00 -1.81 0.00 0.00 61.98 57.87 1nct s VAL 73 Cb -0.15 -4.93 -0.01 0.00 0.56 0.00 0.00 36.38 31.84 1nct s VAL 73 CO -0.17 -1.67 0.95 -0.69 -0.31 0.00 0.00 175.10 173.21 1nct s VAL 74 N 2.43 4.80 0.00 1.32 1.01 0.01 -3.39 120.40 126.59 1nct s VAL 74 Ca 0.42 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.31 1nct s VAL 74 Cb -0.02 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1nct s VAL 74 CO -0.02 -0.01 0.00 -1.84 0.00 0.00 0.00 175.10 173.24 1nct n GLU 75 N 5.22 0.00 -1.67 2.72 0.00 -0.43 -0.99 120.64 125.49 1nct n GLU 75 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.24 1nct n GLU 75 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.93 1nct n GLU 75 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1nct n ASN 76 N -0.69 -0.12 -0.52 -1.84 2.85 -0.84 -0.53 115.26 113.57 1nct n ASN 76 Ca 0.00 -1.06 0.39 0.00 -0.11 0.00 0.00 54.58 53.80 1nct n ASN 76 Cb 0.00 0.19 0.61 0.00 1.24 0.00 0.00 39.78 41.82 1nct n ASN 76 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1nct n SER 77 N -0.56 0.03 0.00 1.20 3.41 -1.26 -2.90 113.62 113.54 1nct n SER 77 Ca -0.00 0.81 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 1nct n SER 77 Cb 0.04 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1nct n SER 77 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1nct n GLU 78 N -3.59 0.49 -2.47 4.33 0.28 -1.26 -4.94 120.64 113.46 1nct n GLU 78 Ca 0.34 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 57.09 1nct n GLU 78 Cb 1.49 -0.04 0.04 0.00 1.43 0.00 0.00 31.44 34.36 1nct n GLU 78 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1nct s GLY 79 N 0.00 1.65 -0.50 -1.84 0.00 -1.14 -4.80 107.32 100.69 1nct s GLY 79 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 44.72 43.90 1nct s GLY 79 CO 0.00 -0.60 0.78 1.17 0.00 0.00 0.00 173.10 174.46 1nct n LYS 80 N -2.55 0.65 -4.13 2.90 0.00 -1.26 -1.99 118.16 111.77 1nct n LYS 80 Ca 0.05 -1.99 -0.27 0.00 0.00 0.00 0.00 58.31 56.10 1nct n LYS 80 Cb 0.59 -1.47 -0.04 0.00 0.00 0.00 0.00 35.03 34.11 1nct n LYS 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1nct s GLN 81 N 0.66 2.24 0.37 1.64 0.74 -0.16 -4.96 119.66 120.19 1nct s GLN 81 Ca 0.31 -2.07 -0.13 0.00 0.05 0.00 0.00 55.36 53.52 1nct s GLN 81 Cb 0.12 -1.95 0.05 0.00 1.10 0.00 0.00 33.01 32.33 1nct s GLN 81 CO -0.16 -0.46 0.72 -0.85 -0.55 0.00 0.00 175.29 173.99 1nct n GLU 82 N -1.55 1.03 -4.08 1.67 -0.00 -1.26 -0.81 120.64 115.65 1nct n GLU 82 Ca -0.06 -2.10 -0.11 0.00 -0.00 0.00 0.00 57.16 54.90 1nct n GLU 82 Cb 0.65 2.58 -0.06 0.00 -0.00 0.00 0.00 31.44 34.60 1nct n GLU 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1nct s ALA 83 N -2.04 0.36 0.06 -1.84 0.00 -0.05 -4.86 121.76 113.40 1nct s ALA 83 Ca 0.15 -1.24 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 1nct s ALA 83 Cb -0.04 1.18 -0.00 0.00 0.00 0.00 0.00 23.12 24.25 1nct s ALA 83 CO 0.11 -0.77 0.16 -1.21 0.00 0.00 0.00 175.76 174.06 1nct s GLU 84 N -3.88 0.73 -0.30 0.00 0.41 -1.26 -1.97 118.70 112.43 1nct s GLU 84 Ca 0.29 -0.84 -0.18 0.00 -0.41 0.00 0.00 54.97 53.83 1nct s GLU 84 Cb 0.02 0.29 0.20 0.00 -1.78 0.00 0.00 34.13 32.86 1nct s GLU 84 CO 0.12 -0.21 1.27 -0.59 -0.49 0.00 0.00 175.26 175.36 1nct s PHE 85 N -3.23 -0.11 -0.22 1.61 -0.12 -0.55 -4.81 117.98 110.56 1nct s PHE 85 Ca 0.00 0.22 -0.17 0.00 -0.05 0.00 0.00 56.93 56.93 1nct s PHE 85 Cb 0.02 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.51 1nct s PHE 85 CO -0.08 -0.05 0.45 0.95 -0.05 0.00 0.00 175.22 176.45 1nct s THR 86 N 0.89 5.14 -0.73 -4.49 -4.23 -1.26 -1.36 115.64 109.61 1nct s THR 86 Ca -0.06 0.80 0.03 0.00 -1.18 0.00 0.00 61.69 61.29 1nct s THR 86 Cb -0.03 -3.78 0.18 0.00 1.34 0.00 0.00 72.50 70.21 1nct s THR 86 CO -0.11 0.19 0.54 -0.76 -0.54 0.00 0.00 174.62 173.94 1nct s LEU 87 N 1.66 4.96 0.80 4.79 1.02 -0.71 -2.06 118.68 129.14 1nct s LEU 87 Ca 0.21 -3.74 -0.11 0.00 0.02 0.00 0.00 54.13 50.50 1nct s LEU 87 Cb -0.15 -1.70 0.07 0.00 0.02 0.00 0.00 46.19 44.43 1nct s LEU 87 CO 0.09 -0.12 1.09 -0.89 0.02 0.00 0.00 176.35 176.54 1nct s THR 88 N -1.32 3.09 -0.32 5.49 2.01 -1.23 -3.98 115.64 119.38 1nct s THR 88 Ca 0.25 0.35 0.18 0.00 0.31 0.00 0.00 61.69 62.78 1nct s THR 88 Cb -0.07 -3.07 0.46 0.00 0.01 0.00 0.00 72.50 69.82 1nct s THR 88 CO -0.14 -0.46 1.01 2.30 -0.69 0.00 0.00 174.62 176.64 1nct n ILE 89 N -3.45 0.92 -1.33 1.82 -0.00 -1.19 -1.75 119.36 114.37 1nct n ILE 89 Ca 0.07 -2.87 -0.57 0.00 -0.00 0.00 0.00 62.75 59.39 1nct n ILE 89 Cb 0.56 0.78 -0.10 0.00 -0.00 0.00 0.00 39.64 40.88 1nct n ILE 89 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 1nct n GLN 90 N -0.19 0.00 -0.22 6.28 0.00 -0.32 -4.01 117.38 118.92 1nct n GLN 90 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.07 1nct n GLN 90 Cb 0.82 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.73 1nct n GLN 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69