#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 s PRO 2 N 0.00 2.50 0.47 1.97 0.02 -1.26 -4.93 135.00 133.77 1jj2 s PRO 2 Ca 0.00 1.77 0.25 0.00 0.02 0.00 0.00 61.00 63.04 1jj2 s PRO 2 Cb 0.00 -1.88 1.14 0.00 0.02 0.00 0.00 34.50 33.79 1jj2 s PRO 2 CO 0.00 -1.56 1.93 0.78 -0.33 0.00 0.00 177.00 177.82 1jj2 h GLY 3 N 0.18 0.00 -0.66 0.52 0.00 -2.02 -2.87 103.07 98.23 1jj2 h GLY 3 Ca -0.49 0.00 0.36 0.00 0.00 0.00 0.00 47.33 47.20 1jj2 h GLY 3 CO 0.52 0.00 0.77 0.00 0.00 0.00 0.00 176.54 177.83 1jj2 h ALA 4 N 1.81 2.53 0.00 3.60 0.00 -2.01 0.26 119.26 125.45 1jj2 h ALA 4 Ca -0.00 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1jj2 h ALA 4 Cb 0.57 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1jj2 h ALA 4 CO 0.02 -1.05 -0.39 0.52 0.00 0.00 0.00 179.25 178.35 1jj2 h MET 5 N 0.21 0.00 0.00 0.00 2.86 -1.89 -3.39 114.93 112.72 1jj2 h MET 5 Ca 0.71 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.35 1jj2 h MET 5 Cb 2.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.76 1jj2 h MET 5 CO -0.35 0.39 0.00 0.66 1.06 0.00 0.00 176.91 178.67 1jj2 n TYR 6 N -3.68 0.00 0.30 -0.22 4.02 0.73 -4.86 117.16 113.45 1jj2 n TYR 6 Ca -0.01 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.07 1jj2 n TYR 6 Cb 0.49 0.00 0.94 0.00 -0.02 0.00 0.00 39.34 40.75 1jj2 n TYR 6 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1jj2 h ARG 7 N 0.00 0.00 -6.79 -0.72 0.11 -1.28 -3.41 114.38 102.29 1jj2 h ARG 7 Ca 0.00 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.60 1jj2 h ARG 7 Cb 0.20 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.25 1jj2 h ARG 7 CO 0.00 0.03 0.16 -0.80 0.10 0.00 0.00 179.97 179.46 1jj2 s ASN 8 N -5.59 6.86 -0.65 0.08 0.02 -1.26 0.04 114.94 114.45 1jj2 s ASN 8 Ca -0.03 1.41 -0.01 0.00 -1.02 0.00 0.00 52.86 53.21 1jj2 s ASN 8 Cb 0.12 -2.42 0.44 0.00 0.02 0.00 0.00 41.25 39.41 1jj2 s ASN 8 CO 0.50 -0.21 1.94 -1.20 0.02 0.00 0.00 177.10 178.14 1jj2 n SER 9 N -0.27 7.37 0.02 -1.22 7.64 -1.26 -4.60 113.62 121.30 1jj2 n SER 9 Ca 0.04 -3.79 0.13 0.00 1.01 0.00 0.00 58.87 56.25 1jj2 n SER 9 Cb 0.53 -0.92 0.37 0.00 -1.01 0.00 0.00 64.21 63.19 1jj2 n SER 9 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1jj2 n SER 10 N -0.85 0.41 -4.94 6.43 3.41 -1.26 -4.89 113.62 111.92 1jj2 n SER 10 Ca 0.60 0.15 -0.24 0.00 -0.26 0.00 0.00 58.87 59.12 1jj2 n SER 10 Cb 0.65 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1jj2 n SER 10 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1jj2 s LYS 11 N -3.04 3.49 0.88 4.33 1.02 -1.26 -5.07 119.74 120.09 1jj2 s LYS 11 Ca 0.11 -0.37 -0.11 0.00 0.02 0.00 0.00 55.97 55.62 1jj2 s LYS 11 Cb 0.17 -2.72 0.13 0.00 -0.52 0.00 0.00 37.83 34.88 1jj2 s LYS 11 CO 0.64 0.23 1.17 -2.14 -0.92 0.00 0.00 175.35 174.33 1jj2 s PRO 12 N -4.06 1.19 0.17 -1.68 0.02 -1.26 -4.90 135.00 124.47 1jj2 s PRO 12 Ca 0.39 1.63 -0.30 0.00 0.02 0.00 0.00 61.00 62.74 1jj2 s PRO 12 Cb -0.10 -1.74 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 1jj2 s PRO 12 CO 0.34 -2.52 1.33 0.00 -0.33 0.00 0.00 177.00 175.81 1jj2 s ALA 13 N -2.48 3.54 -0.49 -1.55 0.00 -1.26 -4.95 121.76 114.57 1jj2 s ALA 13 Ca 0.69 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.79 1jj2 s ALA 13 Cb -0.25 -3.50 0.16 0.00 0.00 0.00 0.00 23.12 19.53 1jj2 s ALA 13 CO 0.56 -0.56 0.34 -0.47 0.00 0.00 0.00 175.76 175.62 1jj2 s TYR 14 N 0.40 2.02 0.00 0.00 5.04 -1.26 -4.92 117.35 118.62 1jj2 s TYR 14 Ca 0.59 -2.58 0.00 0.00 -2.44 0.00 0.00 57.07 52.64 1jj2 s TYR 14 Cb -0.36 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.23 1jj2 s TYR 14 CO 0.36 -0.74 0.25 0.25 -1.34 0.00 0.00 175.55 174.33 1jj2 n THR 15 N 2.94 0.03 -2.39 4.34 -2.24 -1.26 -1.42 114.28 114.28 1jj2 n THR 15 Ca 0.19 -0.23 -0.38 0.00 -2.27 0.00 0.00 64.05 61.36 1jj2 n THR 15 Cb 0.39 1.51 -0.03 0.00 -2.10 0.00 0.00 70.33 70.10 1jj2 n THR 15 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1jj2 s ARG 16 N -0.03 3.15 0.27 -0.78 1.81 -1.26 -4.85 118.95 117.26 1jj2 s ARG 16 Ca 0.00 -0.49 0.19 0.00 -1.72 0.00 0.00 55.73 53.71 1jj2 s ARG 16 Cb 0.00 -4.86 1.01 0.00 -0.45 0.00 0.00 34.95 30.66 1jj2 s ARG 16 CO 0.00 -2.49 1.58 0.54 -0.68 0.00 0.00 175.30 174.25 1jj2 n ARG 17 N 9.05 0.13 0.17 3.54 1.74 -1.26 -1.06 116.66 128.97 1jj2 n ARG 17 Ca 0.25 0.60 0.13 0.00 -0.77 0.00 0.00 57.85 58.06 1jj2 n ARG 17 Cb 0.50 -1.89 0.43 0.00 -1.02 0.00 0.00 32.46 30.48 1jj2 n ARG 17 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1jj2 h GLU 18 N 0.00 0.00 0.00 5.56 9.09 -2.05 -3.18 114.58 124.00 1jj2 h GLU 18 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1jj2 h GLU 18 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 1jj2 h GLU 18 CO 0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 1jj2 n TYR 19 N -2.60 0.00 -3.98 2.06 4.02 -0.23 -4.99 117.16 111.44 1jj2 n TYR 19 Ca 0.03 -0.23 -0.24 0.00 -0.01 0.00 0.00 57.90 57.45 1jj2 n TYR 19 Cb 0.37 -0.02 -0.17 0.00 -0.02 0.00 0.00 39.34 39.50 1jj2 n TYR 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1jj2 s ILE 20 N -0.46 0.74 0.40 -0.72 1.01 -1.01 -5.08 121.20 116.08 1jj2 s ILE 20 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.58 1jj2 s ILE 20 Cb 0.00 -0.80 -0.07 0.00 0.01 0.00 0.00 42.46 41.61 1jj2 s ILE 20 CO 0.00 0.31 0.06 -0.94 0.00 0.00 0.00 174.94 174.36 1jj2 s SER 21 N 1.54 4.05 -0.92 3.58 1.04 -1.26 -4.63 113.70 117.10 1jj2 s SER 21 Ca 0.00 -1.25 -0.02 0.00 0.48 0.00 0.00 55.95 55.16 1jj2 s SER 21 Cb -0.13 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.56 1jj2 s SER 21 CO -0.05 -0.45 0.27 0.61 0.98 0.00 0.00 173.24 174.61 1jj2 n GLY 22 N -1.04 -0.03 3.67 7.32 0.00 -1.26 -4.80 105.19 109.04 1jj2 n GLY 22 Ca -0.04 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1jj2 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jj2 s ILE 23 N -2.83 4.77 0.57 -0.61 1.01 -1.26 -4.78 121.20 118.06 1jj2 s ILE 23 Ca 0.13 1.87 -0.21 0.00 0.00 0.00 0.00 60.65 62.45 1jj2 s ILE 23 Cb -0.06 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 1jj2 s ILE 23 CO 0.17 -0.07 1.23 -2.65 0.00 0.00 0.00 174.94 173.61 1jj2 n PRO 24 N 5.71 1.38 -1.29 2.79 -0.02 -1.26 -4.96 135.00 137.34 1jj2 n PRO 24 Ca 0.09 0.52 -0.31 0.00 -2.02 0.00 0.00 63.50 61.77 1jj2 n PRO 24 Cb 0.48 -2.43 0.09 0.00 -0.02 0.00 0.00 33.50 31.62 1jj2 n PRO 24 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jj2 s GLY 25 N -1.05 1.73 0.34 -1.23 0.00 -1.26 -4.82 107.32 101.02 1jj2 s GLY 25 Ca 0.74 0.30 -0.23 0.00 0.00 0.00 0.00 44.72 45.53 1jj2 s GLY 25 CO 0.48 0.65 0.91 1.25 0.00 0.00 0.00 173.10 176.39 1jj2 s LYS 26 N -4.81 4.41 0.00 2.90 2.20 -1.26 -4.97 119.74 118.20 1jj2 s LYS 26 Ca 0.62 1.17 0.25 0.00 -0.36 0.00 0.00 55.97 57.65 1jj2 s LYS 26 Cb -0.18 -2.61 0.57 0.00 -1.51 0.00 0.00 37.83 34.11 1jj2 s LYS 26 CO 0.55 0.20 1.45 1.63 -0.36 0.00 0.00 175.35 178.82 1jj2 n LYS 27 N 0.18 0.46 -2.12 4.03 5.02 -1.26 -4.86 118.16 119.60 1jj2 n LYS 27 Ca 0.03 -0.28 -0.43 0.00 -2.02 0.00 0.00 58.31 55.61 1jj2 n LYS 27 Cb 0.51 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1jj2 n LYS 27 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jj2 s ILE 28 N -2.73 3.76 0.00 -0.18 1.01 -1.26 -4.81 121.20 116.98 1jj2 s ILE 28 Ca 0.18 0.90 -0.22 0.00 0.00 0.00 0.00 60.65 61.50 1jj2 s ILE 28 Cb 0.18 -3.65 -0.19 0.00 0.01 0.00 0.00 42.46 38.82 1jj2 s ILE 28 CO 0.61 -0.15 1.21 0.00 0.00 0.00 0.00 174.94 176.61 1jj2 h ALA 29 N 9.69 0.13 -2.60 9.38 0.00 -1.94 -3.48 119.26 130.44 1jj2 h ALA 29 Ca -0.35 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.08 1jj2 h ALA 29 Cb 1.15 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 1jj2 h ALA 29 CO 0.97 0.11 -0.31 -0.65 0.00 0.00 0.00 179.25 179.37 1jj2 s GLN 30 N -3.80 1.02 -0.00 0.00 -0.21 -1.26 -5.05 119.66 110.36 1jj2 s GLN 30 Ca -0.15 -1.03 0.02 0.00 0.02 0.00 0.00 55.36 54.23 1jj2 s GLN 30 Cb 0.03 0.38 -0.03 0.00 1.00 0.00 0.00 33.01 34.39 1jj2 s GLN 30 CO 0.75 -0.36 0.05 1.19 -2.12 0.00 0.00 175.29 174.80 1jj2 n PHE 31 N -0.15 0.00 -4.02 0.91 3.01 -1.26 -4.91 117.46 111.04 1jj2 n PHE 31 Ca -0.11 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.01 1jj2 n PHE 31 Cb 0.63 -0.05 -0.15 0.00 -0.01 0.00 0.00 39.48 39.90 1jj2 n PHE 31 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1jj2 s ASP 32 N -2.25 3.74 0.35 4.37 1.01 -1.26 -2.35 116.67 120.28 1jj2 s ASP 32 Ca -0.01 -0.59 0.07 0.00 0.71 0.00 0.00 52.55 52.73 1jj2 s ASP 32 Cb 0.01 -1.60 -0.07 0.00 1.01 0.00 0.00 42.92 42.27 1jj2 s ASP 32 CO 0.09 -0.03 -0.04 -0.04 0.21 0.00 0.00 175.17 175.37 1jj2 s MET 33 N 1.36 1.78 4.32 8.23 -1.94 0.39 -4.95 119.30 128.50 1jj2 s MET 33 Ca 0.04 -1.95 0.00 0.00 -1.71 0.00 0.00 55.69 52.07 1jj2 s MET 33 Cb -0.14 -1.47 0.00 0.00 2.01 0.00 0.00 34.83 35.23 1jj2 s MET 33 CO -0.08 0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.36 1jj2 n GLY 34 N -0.79 0.77 3.47 -0.03 0.00 -1.26 -1.43 105.19 105.92 1jj2 n GLY 34 Ca -0.05 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 1jj2 n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jj2 n ASN 35 N 3.51 5.14 0.00 1.61 3.02 0.22 -4.77 115.26 123.99 1jj2 n ASN 35 Ca 0.00 -2.97 0.11 0.00 -0.03 0.00 0.00 54.58 51.70 1jj2 n ASN 35 Cb 0.00 -1.61 0.56 0.00 -0.61 0.00 0.00 39.78 38.11 1jj2 n ASN 35 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1jj2 n ASN 36 N 6.26 0.00 0.06 6.41 0.23 -1.26 -2.41 115.26 124.55 1jj2 n ASN 36 Ca 0.40 0.08 -0.08 0.00 -0.53 0.00 0.00 54.58 54.45 1jj2 n ASN 36 Cb 0.43 -0.33 0.06 0.00 -2.08 0.00 0.00 39.78 37.86 1jj2 n ASN 36 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1jj2 h GLY 37 N 3.81 0.39 -2.29 4.83 0.00 -1.96 -3.44 103.07 104.40 1jj2 h GLY 37 Ca 0.00 -0.53 -0.49 0.00 0.00 0.00 0.00 47.33 46.32 1jj2 h GLY 37 CO 0.00 0.47 -0.00 0.00 0.00 0.00 0.00 176.54 177.01 1jj2 s ALA 38 N -3.67 3.51 0.25 3.60 0.00 -1.01 -5.11 121.76 119.33 1jj2 s ALA 38 Ca -0.05 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.32 1jj2 s ALA 38 Cb 0.11 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 1jj2 s ALA 38 CO 0.83 -0.22 0.22 0.20 0.00 0.00 0.00 175.76 176.79 1jj2 s GLY 39 N -4.06 1.38 -0.31 0.00 0.00 -1.26 -4.96 107.32 98.11 1jj2 s GLY 39 Ca 0.45 -1.39 -0.16 0.00 0.00 0.00 0.00 44.72 43.62 1jj2 s GLY 39 CO 0.41 -1.43 1.37 -1.05 0.00 0.00 0.00 173.10 172.41 1jj2 n PRO 40 N -1.22 0.03 -2.23 2.90 -0.02 -1.26 -4.57 135.00 128.63 1jj2 n PRO 40 Ca -0.08 -0.76 -0.28 0.00 -2.02 0.00 0.00 63.50 60.36 1jj2 n PRO 40 Cb 0.58 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.82 1jj2 n PRO 40 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1jj2 n THR 41 N 6.29 2.64 -4.26 3.45 -2.24 -1.26 -5.03 114.28 113.87 1jj2 n THR 41 Ca 0.24 -4.58 -0.25 0.00 -2.27 0.00 0.00 64.05 57.20 1jj2 n THR 41 Cb 0.42 -1.23 -0.08 0.00 -2.10 0.00 0.00 70.33 67.34 1jj2 n THR 41 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1jj2 s TYR 42 N -3.64 2.74 0.01 4.78 1.51 -1.26 -5.06 117.35 116.43 1jj2 s TYR 42 Ca 0.50 -0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 56.15 1jj2 s TYR 42 Cb 0.41 -1.27 -0.17 0.00 -0.11 0.00 0.00 41.96 40.82 1jj2 s TYR 42 CO -0.16 0.57 1.26 -1.35 -1.11 0.00 0.00 175.55 174.76 1jj2 h PRO 43 N 2.29 0.29 -6.12 -1.71 0.11 -1.90 -3.46 132.00 121.50 1jj2 h PRO 43 Ca -0.46 -0.18 -0.67 0.00 0.11 0.00 0.00 66.00 64.81 1jj2 h PRO 43 Cb 1.23 0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 1jj2 h PRO 43 CO 0.59 0.77 -0.64 0.00 -0.21 0.00 0.00 178.00 178.51 1jj2 s ALA 44 N -4.02 3.31 -0.19 -0.75 0.00 0.10 -4.28 121.76 115.93 1jj2 s ALA 44 Ca -0.15 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 1jj2 s ALA 44 Cb 0.04 -1.37 0.07 0.00 0.00 0.00 0.00 23.12 21.85 1jj2 s ALA 44 CO 0.75 0.65 0.09 -1.14 0.00 0.00 0.00 175.76 176.10 1jj2 s GLN 45 N -1.51 0.14 0.08 0.00 0.74 -1.12 -1.22 119.66 116.76 1jj2 s GLN 45 Ca 0.19 -0.20 0.03 0.00 0.05 0.00 0.00 55.36 55.44 1jj2 s GLN 45 Cb -0.12 -1.74 -0.04 0.00 1.10 0.00 0.00 33.01 32.22 1jj2 s GLN 45 CO 0.10 -0.73 0.08 0.08 -0.55 0.00 0.00 175.29 174.27 1jj2 s VAL 46 N 2.10 4.53 0.03 1.34 1.01 -0.90 0.05 120.40 128.57 1jj2 s VAL 46 Ca 0.03 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1jj2 s VAL 46 Cb -0.16 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1jj2 s VAL 46 CO -0.14 0.12 -0.09 -1.61 0.00 0.00 0.00 175.10 173.38 1jj2 s GLU 47 N -2.40 0.62 -0.37 2.72 2.02 0.55 -0.87 118.70 120.97 1jj2 s GLU 47 Ca 0.29 -0.63 -0.14 0.00 0.02 0.00 0.00 54.97 54.51 1jj2 s GLU 47 Cb -0.12 -0.51 0.00 0.00 0.10 0.00 0.00 34.13 33.59 1jj2 s GLU 47 CO 0.22 0.12 0.27 -1.17 0.02 0.00 0.00 175.26 174.72 1jj2 s LEU 48 N -1.13 4.80 -0.21 1.80 2.96 0.16 -0.17 118.68 126.89 1jj2 s LEU 48 Ca -0.04 -0.64 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 1jj2 s LEU 48 Cb -0.08 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1jj2 s LEU 48 CO 0.01 -0.34 0.09 -0.69 -1.32 0.00 0.00 176.35 174.09 1jj2 s VAL 49 N 1.71 4.84 0.21 1.68 1.01 0.63 -1.33 120.40 129.14 1jj2 s VAL 49 Ca 0.06 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1jj2 s VAL 49 Cb -0.18 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 1jj2 s VAL 49 CO 0.10 0.41 1.07 -0.69 0.00 0.00 0.00 175.10 176.00 1jj2 s VAL 50 N 0.75 3.82 -1.74 2.92 1.01 -0.46 -0.83 120.40 125.86 1jj2 s VAL 50 Ca 0.04 1.67 0.18 0.00 0.00 0.00 0.00 61.98 63.88 1jj2 s VAL 50 Cb -0.13 -4.07 0.43 0.00 0.00 0.00 0.00 36.38 32.61 1jj2 s VAL 50 CO 0.02 0.33 1.35 -0.62 0.00 0.00 0.00 175.10 176.18 1jj2 n GLU 51 N 1.93 2.50 -3.69 2.72 1.02 -1.10 0.18 120.64 124.20 1jj2 n GLU 51 Ca 0.01 -2.23 -0.12 0.00 -0.02 0.00 0.00 57.16 54.80 1jj2 n GLU 51 Cb 0.46 -1.43 -0.09 0.00 -0.02 0.00 0.00 31.44 30.36 1jj2 n GLU 51 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1jj2 s LYS 52 N -1.13 0.58 0.23 3.49 1.02 -1.26 -4.67 119.74 117.99 1jj2 s LYS 52 Ca 0.35 0.81 -0.31 0.00 0.02 0.00 0.00 55.97 56.84 1jj2 s LYS 52 Cb 0.19 0.20 -0.10 0.00 -0.52 0.00 0.00 37.83 37.60 1jj2 s LYS 52 CO 0.26 -0.10 1.53 -2.14 -0.92 0.00 0.00 175.35 173.97 1jj2 s PRO 53 N 0.72 4.21 0.29 -1.68 0.02 -1.26 -3.97 135.00 133.33 1jj2 s PRO 53 Ca -0.04 2.40 -0.17 0.00 0.02 0.00 0.00 61.00 63.21 1jj2 s PRO 53 Cb -0.05 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.38 1jj2 s PRO 53 CO -0.05 -0.55 0.65 0.14 -0.33 0.00 0.00 177.00 176.86 1jj2 s VAL 54 N 0.45 0.00 -0.11 3.83 -7.23 -0.30 -4.84 120.40 112.20 1jj2 s VAL 54 Ca 0.65 -1.15 -0.02 0.00 -1.81 0.00 0.00 61.98 59.65 1jj2 s VAL 54 Cb -0.44 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1jj2 s VAL 54 CO 0.39 0.00 -0.03 -1.10 -0.31 0.00 0.00 175.10 174.05 1jj2 s GLN 55 N -3.65 3.25 -0.24 4.82 -0.21 0.11 -1.40 119.66 122.33 1jj2 s GLN 55 Ca 0.16 -0.50 0.02 0.00 0.02 0.00 0.00 55.36 55.07 1jj2 s GLN 55 Cb -0.04 -2.80 0.05 0.00 1.00 0.00 0.00 33.01 31.22 1jj2 s GLN 55 CO 0.09 0.48 -0.11 0.42 -2.12 0.00 0.00 175.29 174.05 1jj2 s ILE 56 N -0.28 1.99 0.57 1.08 1.01 0.49 -4.45 121.20 121.61 1jj2 s ILE 56 Ca 0.05 -1.43 -0.20 0.00 0.00 0.00 0.00 60.65 59.07 1jj2 s ILE 56 Cb -0.13 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1jj2 s ILE 56 CO 0.02 0.04 1.30 -0.13 0.00 0.00 0.00 174.94 176.16 1jj2 s ARG 57 N 1.20 3.03 0.47 2.79 0.52 -1.26 -0.26 118.95 125.45 1jj2 s ARG 57 Ca -0.06 2.07 0.27 0.00 -0.52 0.00 0.00 55.73 57.49 1jj2 s ARG 57 Cb -0.19 -2.11 1.49 0.00 0.52 0.00 0.00 34.95 34.66 1jj2 s ARG 57 CO -0.06 -1.23 1.82 1.12 0.02 0.00 0.00 175.30 176.96 1jj2 h HIS 58 N 1.19 0.00 0.54 -0.53 2.07 -1.68 0.53 115.15 117.28 1jj2 h HIS 58 Ca -0.51 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 56.99 1jj2 h HIS 58 Cb 1.30 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.29 1jj2 h HIS 58 CO 0.46 0.00 -0.26 -0.91 -3.07 0.00 0.00 177.93 174.15 1jj2 h ASN 59 N 0.00 -0.62 -0.44 3.10 -0.26 -1.88 -2.40 115.58 113.08 1jj2 h ASN 59 Ca 0.00 -0.05 -0.06 0.00 -0.56 0.00 0.00 56.30 55.63 1jj2 h ASN 59 Cb 0.25 0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.65 1jj2 h ASN 59 CO 0.00 -0.29 0.06 0.00 -1.06 0.00 0.00 177.43 176.14 1jj2 h ALA 60 N -0.66 1.16 0.05 -0.83 0.00 -1.21 -2.44 119.26 115.34 1jj2 h ALA 60 Ca -0.07 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1jj2 h ALA 60 Cb 0.63 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1jj2 h ALA 60 CO 0.12 0.56 -0.07 -0.07 0.00 0.00 0.00 179.25 179.79 1jj2 h LEU 61 N 0.77 -0.19 -0.13 0.00 -0.00 -1.36 0.21 115.31 114.60 1jj2 h LEU 61 Ca 0.16 0.02 0.01 0.00 -0.00 0.00 0.00 57.88 58.07 1jj2 h LEU 61 Cb 0.37 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 1jj2 h LEU 61 CO 0.01 -0.11 0.05 -0.08 -0.00 0.00 0.00 178.44 178.31 1jj2 h GLU 62 N -0.15 0.11 -0.56 1.13 4.57 -1.28 0.30 114.58 118.70 1jj2 h GLU 62 Ca 0.01 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1jj2 h GLU 62 Cb 0.15 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1jj2 h GLU 62 CO -0.03 0.08 0.10 0.00 -1.18 0.00 0.00 179.01 177.97 1jj2 h ALA 63 N 1.08 1.12 -0.19 2.92 0.00 -1.30 0.18 119.26 123.06 1jj2 h ALA 63 Ca 0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1jj2 h ALA 63 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1jj2 h ALA 63 CO -0.06 0.58 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 1jj2 h ALA 64 N 1.26 0.27 0.29 0.00 0.00 -0.19 -1.41 119.26 119.48 1jj2 h ALA 64 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jj2 h ALA 64 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jj2 h ALA 64 CO 0.01 0.03 -0.14 -0.09 0.00 0.00 0.00 179.25 179.06 1jj2 h ARG 65 N 0.09 -0.37 -0.04 0.00 2.43 -0.18 -2.45 114.38 113.85 1jj2 h ARG 65 Ca 0.05 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1jj2 h ARG 65 Cb 0.48 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 1jj2 h ARG 65 CO 0.02 -0.15 -0.28 0.28 -1.51 0.00 0.00 179.97 178.33 1jj2 h VAL 66 N -0.54 0.37 -0.48 0.20 2.07 -0.67 0.16 116.25 117.37 1jj2 h VAL 66 Ca -0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.62 1jj2 h VAL 66 Cb 0.40 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1jj2 h VAL 66 CO 0.06 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.07 1jj2 h ALA 67 N 0.42 2.30 0.00 1.67 0.00 -1.23 0.75 119.26 123.17 1jj2 h ALA 67 Ca 0.07 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1jj2 h ALA 67 Cb 0.51 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1jj2 h ALA 67 CO -0.27 -0.66 -0.90 0.00 0.00 0.00 0.00 179.25 177.42 1jj2 h ALA 68 N 1.62 0.18 -0.21 0.00 0.00 -0.70 -3.31 119.26 116.84 1jj2 h ALA 68 Ca 0.23 -0.97 -0.18 0.00 0.00 0.00 0.00 54.91 53.99 1jj2 h ALA 68 Cb 1.06 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1jj2 h ALA 68 CO -0.00 0.52 -0.58 -0.97 0.00 0.00 0.00 179.25 178.21 1jj2 h ASN 69 N -1.00 0.75 0.10 0.00 -0.00 -0.39 -0.91 115.58 114.13 1jj2 h ASN 69 Ca -0.24 -0.41 -0.01 0.00 -0.00 0.00 0.00 56.30 55.64 1jj2 h ASN 69 Cb 1.14 -0.22 -0.00 0.00 -0.00 0.00 0.00 38.32 39.25 1jj2 h ASN 69 CO -0.14 1.16 -0.03 -0.09 -0.00 0.00 0.00 177.43 178.33 1jj2 h ARG 70 N 0.50 0.00 0.04 6.67 2.43 0.32 -1.66 114.38 122.69 1jj2 h ARG 70 Ca 0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.87 1jj2 h ARG 70 Cb 1.15 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 1jj2 h ARG 70 CO 0.12 0.03 -1.71 -0.92 -1.51 0.00 0.00 179.97 175.98 1jj2 h TYR 71 N 0.00 0.17 0.00 2.20 3.20 -1.57 -3.30 116.97 117.67 1jj2 h TYR 71 Ca -0.00 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1jj2 h TYR 71 Cb 0.09 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1jj2 h TYR 71 CO 0.00 1.23 0.00 1.55 -1.64 0.00 0.00 178.16 179.30 1jj2 n VAL 72 N -3.22 0.00 -2.10 1.81 3.14 -0.37 -2.49 118.33 115.10 1jj2 n VAL 72 Ca -0.19 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.80 1jj2 n VAL 72 Cb 1.04 -0.50 0.02 0.00 -1.06 0.00 0.00 33.84 33.34 1jj2 n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jj2 n GLN 73 N -0.50 3.69 0.00 1.45 3.00 -1.24 -2.89 117.38 120.89 1jj2 n GLN 73 Ca 0.00 -3.73 0.00 0.00 -0.01 0.00 0.00 57.00 53.26 1jj2 n GLN 73 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 30.24 27.90 1jj2 n GLN 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1jj2 n ASN 74 N -0.05 0.48 -0.00 1.08 5.15 -1.04 -4.37 115.26 116.51 1jj2 n ASN 74 Ca 0.52 -0.75 0.01 0.00 -0.60 0.00 0.00 54.58 53.76 1jj2 n ASN 74 Cb 0.28 0.36 -0.02 0.00 -0.53 0.00 0.00 39.78 39.87 1jj2 n ASN 74 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1jj2 n SER 75 N -0.36 3.28 0.00 1.20 7.64 -1.14 -5.13 113.62 119.10 1jj2 n SER 75 Ca 0.00 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1jj2 n SER 75 Cb 0.02 1.08 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1jj2 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jj2 n GLY 76 N 2.01 2.61 0.42 0.23 0.00 -1.26 -4.10 105.19 105.10 1jj2 n GLY 76 Ca -0.00 -1.75 0.23 0.00 0.00 0.00 0.00 46.02 44.49 1jj2 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 h ALA 77 N 0.00 2.32 -0.26 4.61 0.00 -1.92 0.24 119.26 124.25 1jj2 h ALA 77 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1jj2 h ALA 77 Cb 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.68 1jj2 h ALA 77 CO 0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 179.25 178.16 1jj2 n ALA 78 N -2.52 4.17 -0.62 0.00 0.00 -1.26 -4.98 120.51 115.29 1jj2 n ALA 78 Ca 0.23 -3.37 -0.31 0.00 0.00 0.00 0.00 53.44 49.99 1jj2 n ALA 78 Cb 0.84 -0.48 0.19 0.00 0.00 0.00 0.00 19.45 20.00 1jj2 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jj2 n ALA 79 N -1.04 -2.09 -3.03 0.00 0.00 0.07 -4.93 120.51 109.49 1jj2 n ALA 79 Ca 0.29 -0.85 -0.45 0.00 0.00 0.00 0.00 53.44 52.44 1jj2 n ALA 79 Cb 0.83 -2.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1jj2 n ALA 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1jj2 s ASN 80 N -2.40 6.80 -0.16 0.00 3.04 -1.26 -4.44 114.94 116.52 1jj2 s ASN 80 Ca 0.65 -2.47 -0.33 0.00 0.04 0.00 0.00 52.86 50.75 1jj2 s ASN 80 Cb -0.23 -2.35 0.13 0.00 -1.54 0.00 0.00 41.25 37.27 1jj2 s ASN 80 CO 0.63 -0.85 1.13 -0.72 -3.04 0.00 0.00 177.10 174.24 1jj2 s TYR 81 N 1.73 -0.20 -0.03 0.43 -0.85 -1.26 -4.60 117.35 112.57 1jj2 s TYR 81 Ca 0.32 0.17 0.02 0.00 -0.52 0.00 0.00 57.07 57.07 1jj2 s TYR 81 Cb -0.06 0.51 0.01 0.00 0.38 0.00 0.00 41.96 42.80 1jj2 s TYR 81 CO -0.07 -0.28 -0.09 -1.59 -1.52 0.00 0.00 175.55 172.00 1jj2 s LYS 82 N -2.29 1.03 -0.12 -3.49 -2.85 -1.04 -0.61 119.74 110.37 1jj2 s LYS 82 Ca 0.07 -0.29 0.01 0.00 -1.00 0.00 0.00 55.97 54.75 1jj2 s LYS 82 Cb -0.01 -0.95 -0.01 0.00 -2.06 0.00 0.00 37.83 34.80 1jj2 s LYS 82 CO -0.05 0.08 -0.15 0.12 0.10 0.00 0.00 175.35 175.46 1jj2 s PHE 83 N 0.32 2.76 -0.06 1.78 5.36 -0.52 -0.65 117.98 126.98 1jj2 s PHE 83 Ca -0.05 -0.63 0.01 0.00 -0.96 0.00 0.00 56.93 55.29 1jj2 s PHE 83 Cb -0.10 -1.80 0.02 0.00 -0.34 0.00 0.00 43.02 40.80 1jj2 s PHE 83 CO 0.01 -0.19 -0.06 1.03 -1.46 0.00 0.00 175.22 174.55 1jj2 s ARG 84 N 0.21 1.07 -0.42 10.12 0.52 0.58 -0.47 118.95 130.57 1jj2 s ARG 84 Ca -0.09 -0.15 -0.12 0.00 -0.52 0.00 0.00 55.73 54.85 1jj2 s ARG 84 Cb -0.15 -1.08 0.06 0.00 0.52 0.00 0.00 34.95 34.29 1jj2 s ARG 84 CO 0.05 -0.12 0.29 -1.50 0.02 0.00 0.00 175.30 174.04 1jj2 s ILE 85 N 1.15 4.66 -0.92 1.52 2.07 -0.99 -0.21 121.20 128.48 1jj2 s ILE 85 Ca -0.07 -1.12 0.27 0.00 -1.41 0.00 0.00 60.65 58.32 1jj2 s ILE 85 Cb -0.14 -3.75 0.24 0.00 0.13 0.00 0.00 42.46 38.94 1jj2 s ILE 85 CO -0.01 -0.44 1.85 -2.11 -1.91 0.00 0.00 174.94 172.32 1jj2 n ARG 86 N 5.03 0.07 -3.81 3.50 1.85 -0.53 -4.85 116.66 117.92 1jj2 n ARG 86 Ca -0.11 0.08 -0.29 0.00 -1.00 0.00 0.00 57.85 56.53 1jj2 n ARG 86 Cb 0.44 -1.58 -0.04 0.00 -1.05 0.00 0.00 32.46 30.23 1jj2 n ARG 86 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1jj2 s LYS 87 N -3.03 3.49 -0.01 2.89 -0.14 -1.26 -5.11 119.74 116.57 1jj2 s LYS 87 Ca 0.12 -0.40 0.05 0.00 -1.36 0.00 0.00 55.97 54.39 1jj2 s LYS 87 Cb 0.16 -2.93 -0.01 0.00 -1.68 0.00 0.00 37.83 33.37 1jj2 s LYS 87 CO 0.52 0.50 -0.17 -0.06 -0.76 0.00 0.00 175.35 175.38 1jj2 s PHE 88 N -1.71 1.49 -1.05 3.18 0.40 -1.26 -5.08 117.98 113.96 1jj2 s PHE 88 Ca 0.37 -0.29 -0.23 0.00 -0.60 0.00 0.00 56.93 56.18 1jj2 s PHE 88 Cb -0.12 -0.96 -0.00 0.00 0.51 0.00 0.00 43.02 42.46 1jj2 s PHE 88 CO 0.28 -0.02 1.74 -1.25 0.70 0.00 0.00 175.22 176.67 1jj2 s PRO 89 N -0.46 3.12 -0.00 0.24 0.04 -1.26 -4.49 135.00 132.19 1jj2 s PRO 89 Ca 0.06 -0.98 0.06 0.00 0.04 0.00 0.00 61.00 60.19 1jj2 s PRO 89 Cb -0.07 -5.27 -0.24 0.00 0.04 0.00 0.00 34.50 28.97 1jj2 s PRO 89 CO -0.00 -2.90 0.82 0.74 0.04 0.00 0.00 177.00 175.70 1jj2 h PHE 90 N 9.96 0.15 -2.85 0.56 -1.00 -1.80 -3.39 116.94 118.57 1jj2 h PHE 90 Ca 0.21 -0.11 -0.56 0.00 2.81 0.00 0.00 57.97 60.32 1jj2 h PHE 90 Cb 0.98 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.50 1jj2 h PHE 90 CO 1.27 1.16 1.00 -1.58 -1.61 0.00 0.00 178.31 178.55 1jj2 s HIS 91 N -2.62 2.47 0.09 -0.55 2.46 -0.32 -4.54 115.29 112.27 1jj2 s HIS 91 Ca -0.06 0.70 -0.29 0.00 0.47 0.00 0.00 55.06 55.88 1jj2 s HIS 91 Cb 0.08 -3.76 -0.05 0.00 -0.13 0.00 0.00 32.58 28.71 1jj2 s HIS 91 CO 0.83 -2.45 0.94 0.08 -2.47 0.00 0.00 174.74 171.66 1jj2 s VAL 92 N 4.12 4.56 0.01 0.89 1.01 -0.51 -0.07 120.40 130.41 1jj2 s VAL 92 Ca 0.63 2.02 0.07 0.00 0.00 0.00 0.00 61.98 64.69 1jj2 s VAL 92 Cb -0.24 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1jj2 s VAL 92 CO 0.22 0.31 -0.20 0.27 0.00 0.00 0.00 175.10 175.70 1jj2 s ILE 93 N 0.08 2.61 0.47 2.22 -4.36 0.22 -4.79 121.20 117.65 1jj2 s ILE 93 Ca 0.46 -1.08 0.06 0.00 -0.26 0.00 0.00 60.65 59.83 1jj2 s ILE 93 Cb -0.23 -2.03 -0.01 0.00 1.25 0.00 0.00 42.46 41.44 1jj2 s ILE 93 CO 0.29 0.46 0.26 -0.13 0.24 0.00 0.00 174.94 176.06 1jj2 s ARG 94 N -1.05 2.27 -0.18 0.37 0.52 -1.26 -1.16 118.95 118.45 1jj2 s ARG 94 Ca 0.12 -1.92 -0.12 0.00 -0.52 0.00 0.00 55.73 53.29 1jj2 s ARG 94 Cb -0.10 -2.02 0.06 0.00 0.52 0.00 0.00 34.95 33.40 1jj2 s ARG 94 CO 0.02 -0.32 0.46 -2.00 0.02 0.00 0.00 175.30 173.48 1jj2 s GLU 95 N -4.06 0.47 -1.22 3.54 2.12 -0.95 -4.84 118.70 113.76 1jj2 s GLU 95 Ca 0.36 0.80 -0.14 0.00 0.36 0.00 0.00 54.97 56.35 1jj2 s GLU 95 Cb 0.01 0.08 0.16 0.00 0.26 0.00 0.00 34.13 34.63 1jj2 s GLU 95 CO 0.21 -0.13 1.48 1.21 -0.54 0.00 0.00 175.26 177.48 1jj2 s ASN 96 N 1.09 7.05 -1.02 -1.70 2.47 -1.26 -1.84 114.94 119.73 1jj2 s ASN 96 Ca -0.07 -2.93 -0.02 0.00 0.42 0.00 0.00 52.86 50.26 1jj2 s ASN 96 Cb -0.06 -2.42 0.31 0.00 -1.45 0.00 0.00 41.25 37.62 1jj2 s ASN 96 CO -0.10 -0.80 1.46 2.29 -3.72 0.00 0.00 177.10 176.24 1jj2 n LYS 97 N 6.00 4.45 0.00 0.43 2.85 -1.26 -5.05 118.16 125.58 1jj2 n LYS 97 Ca 0.38 -4.60 0.00 0.00 -1.05 0.00 0.00 58.31 53.05 1jj2 n LYS 97 Cb 0.43 -2.47 0.00 0.00 -0.65 0.00 0.00 35.03 32.34 1jj2 n LYS 97 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1jj2 n ASP 109 N 0.99 -0.58 0.00 -5.58 -0.08 -1.26 -4.97 116.55 105.07 1jj2 n ASP 109 Ca 0.30 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1jj2 n ASP 109 Cb 0.33 0.47 0.00 0.00 2.34 0.00 0.00 41.12 44.26 1jj2 n ASP 109 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jj2 n GLY 110 N 0.75 -0.50 0.95 0.27 0.00 -1.26 -4.91 105.19 100.50 1jj2 n GLY 110 Ca 0.00 0.53 0.12 0.00 0.00 0.00 0.00 46.02 46.67 1jj2 n GLY 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jj2 n MET 111 N 0.00 2.26 -2.71 1.61 2.81 -1.26 -4.73 117.12 115.10 1jj2 n MET 111 Ca 0.00 -1.88 -0.41 0.00 -1.81 0.00 0.00 57.70 53.59 1jj2 n MET 111 Cb 0.00 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 30.99 1jj2 n MET 111 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1jj2 s ARG 112 N -1.67 4.68 -1.40 0.03 3.52 -1.26 -3.72 118.95 119.14 1jj2 s ARG 112 Ca 0.35 1.47 -0.11 0.00 -0.13 0.00 0.00 55.73 57.32 1jj2 s ARG 112 Cb 0.21 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 30.24 1jj2 s ARG 112 CO 0.30 0.19 0.34 0.00 -0.81 0.00 0.00 175.30 175.32 1jj2 n ALA 113 N 2.82 -2.21 1.12 6.12 0.00 -1.26 -4.85 120.51 122.25 1jj2 n ALA 113 Ca 0.03 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.18 1jj2 n ALA 113 Cb 0.49 -1.72 0.62 0.00 0.00 0.00 0.00 19.45 18.85 1jj2 n ALA 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jj2 n PRO 114 N -4.62 0.26 -1.63 0.00 -0.04 -1.24 -4.87 135.00 122.85 1jj2 n PRO 114 Ca -0.25 0.05 -0.54 0.00 -0.04 0.00 0.00 63.50 62.72 1jj2 n PRO 114 Cb 0.65 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.55 1jj2 n PRO 114 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1jj2 n PHE 115 N -1.35 2.00 -0.89 0.54 7.35 -1.26 -4.55 117.46 119.30 1jj2 n PHE 115 Ca 0.10 0.35 -0.29 0.00 -0.76 0.00 0.00 57.45 56.85 1jj2 n PHE 115 Cb 0.23 -2.52 0.19 0.00 0.35 0.00 0.00 39.48 37.73 1jj2 n PHE 115 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1jj2 s GLY 116 N 4.66 1.59 0.09 7.13 0.00 -1.26 -4.90 107.32 114.62 1jj2 s GLY 116 Ca 1.00 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1jj2 s GLY 116 CO 0.59 0.53 0.24 -1.59 0.00 0.00 0.00 173.10 172.87 1jj2 s LYS 117 N -4.73 3.45 0.19 2.90 -2.85 -0.76 -4.68 119.74 113.26 1jj2 s LYS 117 Ca 0.66 -0.45 -0.32 0.00 -1.00 0.00 0.00 55.97 54.86 1jj2 s LYS 117 Cb -0.21 -3.01 -0.12 0.00 -2.06 0.00 0.00 37.83 32.44 1jj2 s LYS 117 CO 0.60 0.58 1.74 -2.14 0.10 0.00 0.00 175.35 176.23 1jj2 s PRO 118 N -2.69 4.13 0.00 1.78 0.02 -1.26 -2.25 135.00 134.73 1jj2 s PRO 118 Ca 0.35 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1jj2 s PRO 118 Cb -0.12 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.20 1jj2 s PRO 118 CO 0.28 -0.77 0.03 1.33 -0.33 0.00 0.00 177.00 177.54 1jj2 n VAL 119 N 4.15 0.00 -3.36 3.83 0.24 -0.31 -4.86 118.33 118.02 1jj2 n VAL 119 Ca 0.16 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1jj2 n VAL 119 Cb 0.36 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 1jj2 n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jj2 n GLY 120 N 0.71 -1.01 3.04 7.63 0.00 -1.10 -4.86 105.19 109.60 1jj2 n GLY 120 Ca 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.05 1jj2 n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jj2 s THR 121 N -3.00 0.16 0.10 2.61 -4.23 -1.26 -0.61 115.64 109.41 1jj2 s THR 121 Ca 0.00 -1.32 -0.09 0.00 -1.18 0.00 0.00 61.69 59.11 1jj2 s THR 121 Cb 0.00 -0.86 -0.00 0.00 1.34 0.00 0.00 72.50 72.98 1jj2 s THR 121 CO 0.00 -0.73 0.20 0.00 -0.54 0.00 0.00 174.62 173.56 1jj2 s ALA 122 N -2.63 -0.17 -0.11 3.99 0.00 0.89 -1.68 121.76 122.05 1jj2 s ALA 122 Ca -0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1jj2 s ALA 122 Cb -0.01 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 1jj2 s ALA 122 CO -0.05 -0.53 -0.06 0.00 0.00 0.00 0.00 175.76 175.11 1jj2 s ALA 123 N -3.88 2.94 -0.27 0.00 0.00 0.65 -1.17 121.76 120.02 1jj2 s ALA 123 Ca 0.07 -0.86 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 1jj2 s ALA 123 Cb 0.05 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1jj2 s ALA 123 CO -0.09 0.38 0.52 1.03 0.00 0.00 0.00 175.76 177.60 1jj2 s ARG 124 N -0.16 4.00 -0.12 0.00 0.52 -1.26 -0.38 118.95 121.55 1jj2 s ARG 124 Ca 0.02 0.26 0.02 0.00 -0.52 0.00 0.00 55.73 55.51 1jj2 s ARG 124 Cb -0.13 -3.68 -0.00 0.00 0.52 0.00 0.00 34.95 31.66 1jj2 s ARG 124 CO 0.03 -0.40 -0.20 0.08 0.02 0.00 0.00 175.30 174.83 1jj2 s VAL 125 N 2.34 2.41 0.16 3.52 1.01 -0.49 -5.00 120.40 124.35 1jj2 s VAL 125 Ca 0.21 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1jj2 s VAL 125 Cb -0.16 -1.96 -0.07 0.00 0.00 0.00 0.00 36.38 34.19 1jj2 s VAL 125 CO 0.10 0.54 0.51 -1.00 0.00 0.00 0.00 175.10 175.25 1jj2 s HIS 126 N 0.44 3.53 0.14 5.22 3.76 -1.26 -1.15 115.29 125.97 1jj2 s HIS 126 Ca -0.14 0.90 -0.34 0.00 -0.15 0.00 0.00 55.06 55.33 1jj2 s HIS 126 Cb -0.17 -2.26 -0.16 0.00 1.11 0.00 0.00 32.58 31.10 1jj2 s HIS 126 CO 0.06 0.39 1.34 0.41 -0.85 0.00 0.00 174.74 176.10 1jj2 n GLY 127 N 0.45 0.52 1.07 -2.22 0.00 -1.25 -1.75 105.19 102.00 1jj2 n GLY 127 Ca -0.04 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1jj2 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 n ALA 128 N 2.34 0.00 -2.16 4.61 0.00 0.48 -4.86 120.51 120.92 1jj2 n ALA 128 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 1jj2 n ALA 128 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 1jj2 n ALA 128 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jj2 s ASN 129 N -2.90 6.43 -0.22 0.00 0.02 -0.72 -4.81 114.94 112.75 1jj2 s ASN 129 Ca 0.00 1.13 -0.10 0.00 -1.02 0.00 0.00 52.86 52.87 1jj2 s ASN 129 Cb 0.00 -2.33 -0.05 0.00 0.02 0.00 0.00 41.25 38.90 1jj2 s ASN 129 CO 0.00 -0.50 0.13 -1.38 0.02 0.00 0.00 177.10 175.37 1jj2 s HIS 130 N -2.57 3.34 -0.06 2.20 -3.43 -1.26 -1.36 115.29 112.16 1jj2 s HIS 130 Ca 0.51 0.24 0.05 0.00 -0.80 0.00 0.00 55.06 55.06 1jj2 s HIS 130 Cb -0.10 -2.20 -0.24 0.00 -1.43 0.00 0.00 32.58 28.60 1jj2 s HIS 130 CO 0.37 0.17 0.59 0.97 -2.00 0.00 0.00 174.74 174.84 1jj2 h ILE 131 N 4.86 0.81 -4.18 -5.38 2.10 -1.59 -3.44 117.51 110.69 1jj2 h ILE 131 Ca -0.39 -2.60 -0.54 0.00 1.08 0.00 0.00 64.86 62.40 1jj2 h ILE 131 Cb 1.16 2.49 -0.26 0.00 -1.09 0.00 0.00 36.82 39.11 1jj2 h ILE 131 CO 0.71 0.66 -0.83 -0.36 -1.08 0.00 0.00 178.15 177.25 1jj2 s PHE 132 N -2.59 1.63 -0.05 2.19 0.40 -1.22 -1.45 117.98 116.90 1jj2 s PHE 132 Ca -0.11 -0.35 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1jj2 s PHE 132 Cb 0.07 -0.99 0.03 0.00 0.51 0.00 0.00 43.02 42.65 1jj2 s PHE 132 CO 0.81 0.05 0.08 0.42 0.70 0.00 0.00 175.22 177.28 1jj2 s ILE 133 N -0.71 -0.14 0.15 0.64 -1.09 0.71 -0.66 121.20 120.09 1jj2 s ILE 133 Ca 0.06 0.39 0.08 0.00 -2.23 0.00 0.00 60.65 58.95 1jj2 s ILE 133 Cb -0.08 -0.18 -0.04 0.00 -1.58 0.00 0.00 42.46 40.58 1jj2 s ILE 133 CO 0.01 0.16 -0.07 0.00 -1.23 0.00 0.00 174.94 173.81 1jj2 s ALA 134 N 2.07 3.01 -0.19 9.38 0.00 -0.05 -0.31 121.76 135.67 1jj2 s ALA 134 Ca 0.03 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.63 1jj2 s ALA 134 Cb -0.12 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.18 1jj2 s ALA 134 CO -0.04 0.54 -0.10 -1.58 0.00 0.00 0.00 175.76 174.58 1jj2 s TRP 135 N -1.53 2.32 0.09 0.00 0.51 0.18 -2.13 118.94 118.38 1jj2 s TRP 135 Ca 0.24 -1.52 0.03 0.00 -2.12 0.00 0.00 56.10 52.73 1jj2 s TRP 135 Cb -0.10 -1.60 -0.04 0.00 -0.81 0.00 0.00 33.47 30.93 1jj2 s TRP 135 CO 0.15 -0.73 -0.09 0.54 -0.51 0.00 0.00 176.95 176.32 1jj2 s VAL 136 N 1.43 0.79 0.62 4.03 0.11 -0.36 -2.50 120.40 124.53 1jj2 s VAL 136 Ca -0.01 -1.62 -0.07 0.00 -2.93 0.00 0.00 61.98 57.35 1jj2 s VAL 136 Cb -0.16 -1.31 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1jj2 s VAL 136 CO -0.08 -0.61 0.95 0.20 -3.33 0.00 0.00 175.10 172.22 1jj2 s ASN 137 N -2.45 5.50 -0.84 3.54 0.01 -1.26 -0.72 114.94 118.71 1jj2 s ASN 137 Ca 0.04 0.77 -0.18 0.00 -0.71 0.00 0.00 52.86 52.78 1jj2 s ASN 137 Cb -0.02 -1.70 -0.21 0.00 0.41 0.00 0.00 41.25 39.73 1jj2 s ASN 137 CO -0.01 -1.16 2.21 -2.65 -1.51 0.00 0.00 177.10 173.98 1jj2 n PRO 138 N -2.69 0.28 -2.68 -0.60 -0.02 -1.26 -4.16 135.00 123.87 1jj2 n PRO 138 Ca 0.05 -0.56 -0.05 0.00 -2.02 0.00 0.00 63.50 60.91 1jj2 n PRO 138 Cb 0.58 -2.58 0.06 0.00 -0.02 0.00 0.00 33.50 31.54 1jj2 n PRO 138 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1jj2 n ASP 139 N 13.22 -1.57 -4.50 2.55 2.03 -1.26 -5.10 116.55 121.91 1jj2 n ASP 139 Ca 0.51 -2.20 -0.23 0.00 0.52 0.00 0.00 54.79 53.40 1jj2 n ASP 139 Cb 0.33 1.12 -0.09 0.00 -0.72 0.00 0.00 41.12 41.76 1jj2 n ASP 139 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1jj2 n PRO 140 N -0.36 0.83 -0.00 -0.67 -0.02 -1.26 -4.31 135.00 129.21 1jj2 n PRO 140 Ca -0.12 -2.03 0.10 0.00 -2.02 0.00 0.00 63.50 59.43 1jj2 n PRO 140 Cb 0.74 -3.76 -0.13 0.00 -0.02 0.00 0.00 33.50 30.34 1jj2 n PRO 140 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jj2 n ASN 141 N 16.61 0.80 0.03 2.55 3.02 -1.26 -4.02 115.26 132.99 1jj2 n ASN 141 Ca 0.43 -0.79 -0.06 0.00 -0.03 0.00 0.00 54.58 54.13 1jj2 n ASN 141 Cb 0.46 1.19 0.14 0.00 -0.61 0.00 0.00 39.78 40.97 1jj2 n ASN 141 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1jj2 h VAL 142 N 0.00 1.31 -0.34 2.41 3.04 -1.99 -1.81 116.25 118.87 1jj2 h VAL 142 Ca 0.00 -1.61 0.04 0.00 -1.01 0.00 0.00 66.70 64.12 1jj2 h VAL 142 Cb 0.60 1.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.51 1jj2 h VAL 142 CO 0.00 0.49 0.23 -0.33 -1.01 0.00 0.00 177.57 176.95 1jj2 h GLU 143 N 0.35 0.29 0.14 4.17 5.08 -1.93 -0.89 114.58 121.79 1jj2 h GLU 143 Ca 0.03 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.08 1jj2 h GLU 143 Cb 0.91 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.10 1jj2 h GLU 143 CO 0.08 0.19 -1.33 1.49 -1.00 0.00 0.00 179.01 178.44 1jj2 h GLU 144 N 0.30 0.30 0.00 2.33 4.57 -1.67 -2.95 114.58 117.47 1jj2 h GLU 144 Ca 0.14 -0.52 -0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1jj2 h GLU 144 Cb 0.19 0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1jj2 h GLU 144 CO -0.03 1.23 -0.02 0.00 -1.18 0.00 0.00 179.01 179.01 1jj2 h ALA 145 N 0.51 1.51 0.00 2.92 0.00 -0.36 -2.23 119.26 121.60 1jj2 h ALA 145 Ca -0.17 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1jj2 h ALA 145 Cb 2.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 1jj2 h ALA 145 CO 0.21 0.03 -1.46 0.91 0.00 0.00 0.00 179.25 178.93 1jj2 n TRP 146 N -3.86 0.94 -0.10 0.00 8.01 -0.68 -2.46 117.44 119.30 1jj2 n TRP 146 Ca -0.03 0.31 0.01 0.00 -1.31 0.00 0.00 57.50 56.49 1jj2 n TRP 146 Cb 0.11 -1.08 0.31 0.00 -2.01 0.00 0.00 31.31 28.64 1jj2 n TRP 146 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.69 176.59 1jj2 h ARG 147 N 0.00 0.75 0.00 -0.99 2.43 -1.22 -0.73 114.38 114.61 1jj2 h ARG 147 Ca -0.17 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 58.77 1jj2 h ARG 147 Cb 1.60 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.98 1jj2 h ARG 147 CO 0.05 0.55 -0.73 0.00 -1.51 0.00 0.00 179.97 178.33 1jj2 h ARG 148 N 0.76 0.00 -0.01 0.20 3.08 -1.55 -3.31 114.38 113.55 1jj2 h ARG 148 Ca 0.19 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 1jj2 h ARG 148 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1jj2 h ARG 148 CO -0.03 0.73 -0.23 0.00 -1.07 0.00 0.00 179.97 179.37 1jj2 h ALA 149 N 1.27 0.04 0.00 0.04 0.00 -0.85 -3.10 119.26 116.66 1jj2 h ALA 149 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1jj2 h ALA 149 Cb 1.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1jj2 h ALA 149 CO 0.09 0.07 0.00 0.36 0.00 0.00 0.00 179.25 179.78 1jj2 n LYS 150 N -4.52 0.64 0.10 0.00 0.00 -0.49 -1.48 118.16 112.41 1jj2 n LYS 150 Ca -0.09 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1jj2 n LYS 150 Cb 0.48 -1.15 -0.01 0.00 -0.00 0.00 0.00 35.03 34.36 1jj2 n LYS 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1jj2 h MET 151 N 0.00 0.00 -0.24 -1.58 4.05 -1.62 -3.35 114.93 112.19 1jj2 h MET 151 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1jj2 h MET 151 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1jj2 h MET 151 CO 0.00 0.24 0.00 1.63 0.23 0.00 0.00 176.91 179.01 1jj2 n LYS 152 N -2.95 2.76 -4.52 0.39 5.02 -0.55 -4.96 118.16 113.36 1jj2 n LYS 152 Ca -0.03 -2.37 -0.25 0.00 -2.02 0.00 0.00 58.31 53.64 1jj2 n LYS 152 Cb 0.71 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 34.08 1jj2 n LYS 152 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1jj2 s VAL 153 N -1.93 1.65 0.17 -0.18 -7.23 -1.24 -4.70 120.40 106.94 1jj2 s VAL 153 Ca 0.29 -1.29 -0.24 0.00 -1.81 0.00 0.00 61.98 58.93 1jj2 s VAL 153 Cb 0.21 -1.46 0.05 0.00 0.56 0.00 0.00 36.38 35.75 1jj2 s VAL 153 CO 0.10 0.11 1.58 0.74 -0.31 0.00 0.00 175.10 177.32 1jj2 h THR 154 N 4.28 0.13 -4.30 5.32 2.02 -1.91 -3.45 112.91 114.99 1jj2 h THR 154 Ca -0.43 0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.24 1jj2 h THR 154 Cb 1.17 0.13 0.13 0.00 -1.74 0.00 0.00 68.15 67.83 1jj2 h THR 154 CO 0.42 0.00 0.32 -2.16 0.37 0.00 0.00 175.52 174.48 1jj2 s PRO 155 N -5.90 2.29 0.42 6.66 0.04 -1.26 -5.04 135.00 132.22 1jj2 s PRO 155 Ca -0.14 1.08 -0.22 0.00 0.04 0.00 0.00 61.00 61.75 1jj2 s PRO 155 Cb 0.14 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.67 1jj2 s PRO 155 CO 0.67 -1.59 1.00 0.99 0.04 0.00 0.00 177.00 178.10 1jj2 s THR 156 N -2.94 4.03 0.11 1.26 2.01 -1.26 -4.94 115.64 113.91 1jj2 s THR 156 Ca 0.61 1.41 0.03 0.00 0.31 0.00 0.00 61.69 64.04 1jj2 s THR 156 Cb -0.16 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1jj2 s THR 156 CO 0.56 -0.14 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.64 1jj2 s ILE 157 N -1.90 0.86 -0.19 1.82 1.01 -1.26 -2.72 121.20 118.81 1jj2 s ILE 157 Ca 0.60 -1.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.34 1jj2 s ILE 157 Cb -0.16 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 1jj2 s ILE 157 CO 0.20 -0.77 -0.05 0.21 0.00 0.00 0.00 174.94 174.54 1jj2 s ASN 158 N -2.91 4.45 -0.40 3.58 3.84 -0.01 -4.97 114.94 118.51 1jj2 s ASN 158 Ca 0.11 -0.30 -0.19 0.00 0.21 0.00 0.00 52.86 52.69 1jj2 s ASN 158 Cb 0.03 -1.74 0.01 0.00 -0.55 0.00 0.00 41.25 38.99 1jj2 s ASN 158 CO -0.02 0.06 0.55 -0.63 -2.79 0.00 0.00 177.10 174.26 1jj2 s ILE 159 N 1.02 4.95 -0.08 -5.21 1.01 -1.26 -0.27 121.20 121.36 1jj2 s ILE 159 Ca 0.01 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1jj2 s ILE 159 Cb -0.15 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1jj2 s ILE 159 CO 0.00 -0.43 -0.13 -0.62 0.00 0.00 0.00 174.94 173.77 1jj2 s ASP 160 N 1.87 4.10 -0.13 3.58 -1.08 0.76 -4.95 116.67 120.83 1jj2 s ASP 160 Ca 0.19 -0.23 -0.02 0.00 -0.52 0.00 0.00 52.55 51.97 1jj2 s ASP 160 Cb -0.15 -1.19 -0.03 0.00 -1.46 0.00 0.00 42.92 40.09 1jj2 s ASP 160 CO 0.16 0.28 -0.05 -0.55 0.52 0.00 0.00 175.17 175.52 1jj2 s SER 161 N -0.31 4.70 0.00 -0.34 0.15 -1.26 0.20 113.70 116.84 1jj2 s SER 161 Ca 0.03 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1jj2 s SER 161 Cb -0.13 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1jj2 s SER 161 CO 0.03 0.22 0.00 -1.20 1.20 0.00 0.00 173.24 173.48 1jj2 n SER 162 N 3.20 0.00 -4.55 5.45 7.64 0.11 -4.85 113.62 120.62 1jj2 n SER 162 Ca -0.18 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.32 1jj2 n SER 162 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1jj2 n SER 162 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1jj2 s PRO 163 N 0.16 2.70 0.00 1.43 0.02 -1.25 -4.69 135.00 133.35 1jj2 s PRO 163 Ca 0.00 0.65 0.00 0.00 0.02 0.00 0.00 61.00 61.67 1jj2 s PRO 163 Cb 0.00 -4.37 0.00 0.00 0.02 0.00 0.00 34.50 30.15 1jj2 s PRO 163 CO 0.00 -2.65 0.00 0.00 -0.33 0.00 0.00 177.00 174.02 1jj2 n ALA 164 N 12.47 0.00 -1.03 -1.55 0.00 -1.26 -2.81 120.51 126.33 1jj2 n ALA 164 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 1jj2 n ALA 164 Cb 0.52 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.25 1jj2 n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jj2 n GLY 165 N 0.00 3.74 2.68 0.00 0.00 -1.26 -4.57 105.19 105.78 1jj2 n GLY 165 Ca 0.00 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 1jj2 n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jj2 n ASN 166 N -0.30 7.44 -0.63 1.61 5.03 -1.26 -5.28 115.26 121.87 1jj2 n ASN 166 Ca 0.44 -3.66 0.13 0.00 0.87 0.00 0.00 54.58 52.37 1jj2 n ASN 166 Cb 1.43 -1.17 0.39 0.00 -1.02 0.00 0.00 39.78 39.41 1jj2 n ASN 166 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43