#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwn s ILE 2 N 0.00 4.48 -0.12 0.00 -1.09 -1.26 -4.99 121.20 118.23 2jwn s ILE 2 Ca 0.00 1.13 -0.05 0.00 -2.23 0.00 0.00 60.65 59.50 2jwn s ILE 2 Cb 0.00 -4.41 0.05 0.00 -1.58 0.00 0.00 42.46 36.52 2jwn s ILE 2 CO 0.00 -0.69 0.26 0.00 -1.23 0.00 0.00 174.94 173.28 2jwn s ALA 3 N 3.73 -0.58 -0.47 9.38 0.00 -1.26 -5.10 121.76 127.47 2jwn s ALA 3 Ca 0.40 0.99 -0.27 0.00 0.00 0.00 0.00 51.96 53.08 2jwn s ALA 3 Cb -0.11 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2jwn s ALA 3 CO 0.23 -0.39 1.96 -1.25 0.00 0.00 0.00 175.76 176.31 2jwn s PRO 4 N 1.75 2.80 -0.52 0.00 0.04 -1.26 -4.93 135.00 132.89 2jwn s PRO 4 Ca -0.05 1.11 -0.21 0.00 0.04 0.00 0.00 61.00 61.89 2jwn s PRO 4 Cb -0.11 -4.36 0.05 0.00 0.04 0.00 0.00 34.50 30.12 2jwn s PRO 4 CO -0.09 -2.49 0.75 0.00 0.04 0.00 0.00 177.00 175.21 2jwn s MET 6 N 3.15 0.48 -0.68 0.00 -1.94 -1.26 -5.09 119.30 113.97 2jwn s MET 6 Ca 0.22 -0.55 -0.27 0.00 -1.71 0.00 0.00 55.69 53.38 2jwn s MET 6 Cb -0.16 -0.32 0.02 0.00 2.01 0.00 0.00 34.83 36.38 2jwn s MET 6 CO 0.15 0.07 1.41 -0.65 -0.01 0.00 0.00 175.02 175.99 2jwn s GLN 7 N -1.06 3.12 -0.77 2.03 1.11 -1.26 -4.94 119.66 117.89 2jwn s GLN 7 Ca -0.06 0.06 -0.26 0.00 0.01 0.00 0.00 55.36 55.11 2jwn s GLN 7 Cb -0.07 -4.20 0.03 0.00 -1.01 0.00 0.00 33.01 27.75 2jwn s GLN 7 CO 0.00 -2.20 1.37 0.95 0.01 0.00 0.00 175.29 175.43 2jwn s THR 8 N 6.39 3.71 -0.34 -0.19 -4.23 -1.26 -4.83 115.64 114.89 2jwn s THR 8 Ca 0.44 0.20 0.02 0.00 -1.18 0.00 0.00 61.69 61.17 2jwn s THR 8 Cb -0.09 -4.83 0.19 0.00 1.34 0.00 0.00 72.50 69.11 2jwn s THR 8 CO 0.18 -1.76 0.73 0.28 -0.54 0.00 0.00 174.62 173.51 2jwn s THR 9 N 6.03 -0.79 -0.11 3.99 -1.32 -1.26 -5.11 115.64 117.07 2jwn s THR 9 Ca 0.40 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.72 2jwn s THR 9 Cb -0.07 -0.38 -0.05 0.00 -1.51 0.00 0.00 72.50 70.49 2jwn s THR 9 CO 0.11 0.00 0.42 -2.28 -2.21 0.00 0.00 174.62 170.66 2jwn s HIS 10 N 2.36 3.54 -0.26 9.09 2.46 -1.26 -5.00 115.29 126.22 2jwn s HIS 10 Ca 0.15 0.83 -0.28 0.00 0.47 0.00 0.00 55.06 56.24 2jwn s HIS 10 Cb -0.05 -2.45 -0.05 0.00 -0.13 0.00 0.00 32.58 29.90 2jwn s HIS 10 CO -0.17 0.27 2.20 0.45 -2.47 0.00 0.00 174.74 175.02 2jwn s SER 11 N 0.27 5.39 -0.20 9.88 0.15 -1.26 -4.92 113.70 123.01 2jwn s SER 11 Ca 0.23 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.62 2jwn s SER 11 Cb -0.15 -2.51 0.05 0.00 -1.71 0.00 0.00 66.02 61.70 2jwn s SER 11 CO 0.09 -2.03 -0.06 -0.75 1.20 0.00 0.00 173.24 171.69 2jwn s LYS 12 N 6.48 1.57 0.01 5.44 2.36 -1.26 -5.11 119.74 129.24 2jwn s LYS 12 Ca 0.98 -0.76 0.06 0.00 -2.55 0.00 0.00 55.97 53.70 2jwn s LYS 12 Cb -0.30 -2.32 -0.02 0.00 -1.05 0.00 0.00 37.83 34.13 2jwn s LYS 12 CO 0.34 -0.51 -0.18 0.00 1.55 0.00 0.00 175.35 176.55 2jwn s MET 13 N 1.51 1.31 0.01 4.03 0.23 -1.26 -5.13 119.30 120.00 2jwn s MET 13 Ca -0.02 -0.74 -0.12 0.00 -1.03 0.00 0.00 55.69 53.78 2jwn s MET 13 Cb -0.17 -1.32 0.01 0.00 -1.53 0.00 0.00 34.83 31.82 2jwn s MET 13 CO -0.07 0.35 0.25 0.99 -2.03 0.00 0.00 175.02 174.51 2jwn s THR 14 N -0.60 0.08 -1.10 3.16 2.01 -1.26 -5.07 115.64 112.86 2jwn s THR 14 Ca 0.06 -0.63 -0.21 0.00 0.31 0.00 0.00 61.69 61.22 2jwn s THR 14 Cb -0.07 -0.68 0.07 0.00 0.01 0.00 0.00 72.50 71.82 2jwn s THR 14 CO 0.00 -0.35 1.50 0.00 -0.69 0.00 0.00 174.62 175.09 2jwn s ALA 15 N -1.76 2.99 -1.45 7.40 0.00 -1.26 -4.87 121.76 122.81 2jwn s ALA 15 Ca -0.11 -2.54 -0.13 0.00 0.00 0.00 0.00 51.96 49.19 2jwn s ALA 15 Cb -0.04 -4.51 0.05 0.00 0.00 0.00 0.00 23.12 18.62 2jwn s ALA 15 CO 0.01 -3.44 2.26 0.41 0.00 0.00 0.00 175.76 175.00 2jwn n GLY 16 N 6.23 4.47 0.00 0.00 0.00 -1.26 -4.82 105.19 109.81 2jwn n GLY 16 Ca 0.37 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2jwn n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwn n ALA 17 N 5.49 0.00 -2.44 4.61 0.00 -1.26 -4.89 120.51 122.01 2jwn n ALA 17 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.94 2jwn n ALA 17 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2jwn n ALA 17 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jwn n TYR 18 N 0.00 -2.75 0.00 0.00 4.01 -1.26 -4.82 117.16 112.34 2jwn n TYR 18 Ca 0.00 1.16 0.00 0.00 -0.16 0.00 0.00 57.90 58.90 2jwn n TYR 18 Cb 0.00 -3.38 0.00 0.00 -0.31 0.00 0.00 39.34 35.65 2jwn n TYR 18 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2jwn n THR 19 N 0.07 0.00 -0.66 -0.72 -1.04 -1.26 -5.01 114.28 105.66 2jwn n THR 19 Ca 0.05 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.08 2jwn n THR 19 Cb 0.17 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.68 2jwn n THR 19 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jwn n GLU 20 N 0.00 -0.37 0.00 -2.82 1.02 -1.26 -5.02 120.64 112.19 2jwn n GLU 20 Ca 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2jwn n GLU 20 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 2jwn n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jwn n GLY 21 N -0.76 0.22 0.43 0.62 0.00 -1.26 -4.51 105.19 99.94 2jwn n GLY 21 Ca 0.00 -2.02 0.23 0.00 0.00 0.00 0.00 46.02 44.23 2jwn n GLY 21 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jwn h PRO 22 N 0.00 0.30 -6.17 1.61 0.11 -2.09 -3.45 132.00 122.30 2jwn h PRO 22 Ca 0.00 -0.02 -0.49 0.00 0.11 0.00 0.00 66.00 65.60 2jwn h PRO 22 Cb 0.00 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 2jwn h PRO 22 CO 0.00 0.20 -0.38 -1.25 -0.21 0.00 0.00 178.00 176.36 2jwn s PRO 23 N -5.34 2.53 -0.23 1.05 0.04 -1.26 -5.11 135.00 126.68 2jwn s PRO 23 Ca -0.08 -1.54 -0.05 0.00 0.04 0.00 0.00 61.00 59.38 2jwn s PRO 23 Cb 0.24 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2jwn s PRO 23 CO 0.79 -0.20 0.00 -0.65 0.04 0.00 0.00 177.00 176.99 2jwn s GLN 24 N -4.13 3.51 -0.07 4.56 -1.52 -1.26 -4.49 119.66 116.26 2jwn s GLN 24 Ca 0.48 -0.56 -0.30 0.00 -1.95 0.00 0.00 55.36 53.04 2jwn s GLN 24 Cb -0.03 -3.13 -0.04 0.00 -0.22 0.00 0.00 33.01 29.60 2jwn s GLN 24 CO 0.28 -0.16 1.32 -1.25 -0.25 0.00 0.00 175.29 175.23 2jwn s PRO 25 N 1.45 4.28 0.33 2.91 0.04 -1.26 -4.96 135.00 137.78 2jwn s PRO 25 Ca 0.05 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 62.72 2jwn s PRO 25 Cb -0.15 -3.67 0.04 0.00 0.04 0.00 0.00 34.50 30.77 2jwn s PRO 25 CO -0.00 -0.61 0.78 -0.48 0.04 0.00 0.00 177.00 176.73 2jwn s LEU 26 N 2.85 -0.10 0.37 -3.56 0.05 -1.26 -4.96 118.68 112.07 2jwn s LEU 26 Ca 0.60 -0.91 -0.06 0.00 0.05 0.00 0.00 54.13 53.81 2jwn s LEU 26 Cb -0.27 2.76 -0.05 0.00 -2.05 0.00 0.00 46.19 46.58 2jwn s LEU 26 CO 0.22 -1.52 0.66 -0.55 -0.55 0.00 0.00 176.35 174.61 2jwn s SER 27 N -3.02 6.41 0.24 1.48 0.15 -1.26 -4.98 113.70 112.72 2jwn s SER 27 Ca 0.14 0.85 -0.04 0.00 0.70 0.00 0.00 55.95 57.60 2jwn s SER 27 Cb -0.05 -2.20 0.45 0.00 -1.71 0.00 0.00 66.02 62.50 2jwn s SER 27 CO 0.09 -0.34 1.73 0.00 1.20 0.00 0.00 173.24 175.92 2jwn h ALA 28 N 1.16 1.05 -0.01 5.45 0.00 -2.02 -0.41 119.26 124.48 2jwn h ALA 28 Ca -0.48 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2jwn h ALA 28 Cb 1.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2jwn h ALA 28 CO 0.64 -0.20 -0.22 0.93 0.00 0.00 0.00 179.25 180.40 2jwn h GLU 29 N 0.46 0.02 -0.30 0.00 4.39 -2.01 -0.50 114.58 116.64 2jwn h GLU 29 Ca 0.41 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.04 2jwn h GLU 29 Cb 0.60 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2jwn h GLU 29 CO -0.39 0.25 -0.08 1.49 -1.16 0.00 0.00 179.01 179.12 2jwn h GLU 30 N 0.02 0.48 0.03 2.33 4.57 -1.47 -2.95 114.58 117.59 2jwn h GLU 30 Ca 0.00 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2jwn h GLU 30 Cb 0.41 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2jwn h GLU 30 CO 0.03 0.57 -0.01 0.87 -1.18 0.00 0.00 179.01 179.28 2jwn h LYS 31 N 0.45 -0.04 -0.97 1.92 1.57 -0.54 -0.57 116.57 118.39 2jwn h LYS 31 Ca 0.09 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2jwn h LYS 31 Cb 0.42 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 2jwn h LYS 31 CO 0.02 0.44 0.63 0.87 -0.57 0.00 0.00 179.45 180.84 2jwn h LYS 32 N -0.53 1.09 -0.20 3.15 6.56 -1.39 0.29 116.57 125.54 2jwn h LYS 32 Ca -0.00 -0.07 -0.20 0.00 -1.06 0.00 0.00 60.65 59.32 2jwn h LYS 32 Cb 0.49 -0.25 0.01 0.00 -0.57 0.00 0.00 32.23 31.91 2jwn h LYS 32 CO 0.01 0.72 -0.66 0.93 -2.06 0.00 0.00 179.45 178.39 2jwn h GLU 33 N 1.12 0.80 -0.27 3.15 5.08 -1.46 -2.90 114.58 120.10 2jwn h GLU 33 Ca 0.42 -0.59 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 2jwn h GLU 33 Cb 0.20 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2jwn h GLU 33 CO -0.17 1.21 -0.16 -0.84 -1.00 0.00 0.00 179.01 178.06 2jwn h ILE 34 N 0.55 1.24 -0.69 3.13 3.07 -0.19 0.73 117.51 125.35 2jwn h ILE 34 Ca -0.03 -1.07 -0.01 0.00 1.55 0.00 0.00 64.86 65.31 2jwn h ILE 34 Cb 1.28 1.20 -0.03 0.00 -0.27 0.00 0.00 36.82 39.00 2jwn h ILE 34 CO 0.14 0.35 0.40 0.44 -1.05 0.00 0.00 178.15 178.43 2jwn h ASP 35 N 0.44 0.85 1.23 2.16 3.32 -0.96 -2.44 116.42 121.01 2jwn h ASP 35 Ca 0.08 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 2jwn h ASP 35 Cb 0.53 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2jwn h ASP 35 CO 0.03 0.67 -0.63 0.11 -1.72 0.00 0.00 179.24 177.70 2jwn h LYS 36 N 0.95 0.00 -0.49 3.56 1.57 -1.24 -3.24 116.57 117.68 2jwn h LYS 36 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2jwn h LYS 36 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jwn h LYS 36 CO -0.04 0.63 0.00 0.54 -0.57 0.00 0.00 179.45 180.01 2jwn n ARG 37 N -3.32 2.16 -3.71 3.15 1.74 0.21 -4.88 116.66 112.00 2jwn n ARG 37 Ca 0.01 -1.38 -0.34 0.00 -0.77 0.00 0.00 57.85 55.37 2jwn n ARG 37 Cb 0.76 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.69 2jwn n ARG 37 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jwn s SER 38 N -0.82 6.53 0.19 0.55 0.15 -0.96 -0.66 113.70 118.68 2jwn s SER 38 Ca 0.25 0.61 0.07 0.00 0.70 0.00 0.00 55.95 57.58 2jwn s SER 38 Cb 0.15 -2.11 -0.05 0.00 -1.71 0.00 0.00 66.02 62.31 2jwn s SER 38 CO 0.14 0.22 -0.13 0.68 1.20 0.00 0.00 173.24 175.35 2jwn s VAL 39 N -1.35 1.56 -0.22 4.45 -7.23 -0.07 -1.03 120.40 116.51 2jwn s VAL 39 Ca 0.30 -2.16 -0.05 0.00 -1.81 0.00 0.00 61.98 58.26 2jwn s VAL 39 Cb -0.13 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 2jwn s VAL 39 CO 0.17 -0.64 -0.02 -0.47 -0.31 0.00 0.00 175.10 173.83 2jwn s TYR 40 N -3.09 2.99 -0.26 2.82 5.04 0.20 -2.44 117.35 122.61 2jwn s TYR 40 Ca 0.21 -0.75 0.03 0.00 -2.44 0.00 0.00 57.07 54.11 2jwn s TYR 40 Cb 0.00 -2.11 0.06 0.00 0.35 0.00 0.00 41.96 40.26 2jwn s TYR 40 CO 0.05 -0.45 -0.08 0.08 -1.34 0.00 0.00 175.55 173.81 2jwn s VAL 41 N 1.37 2.01 0.45 3.14 1.01 0.12 -0.33 120.40 128.17 2jwn s VAL 41 Ca 0.05 -1.61 0.07 0.00 0.00 0.00 0.00 61.98 60.49 2jwn s VAL 41 Cb -0.14 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 2jwn s VAL 41 CO -0.01 -0.12 0.40 -0.83 0.00 0.00 0.00 175.10 174.55 2jwn s GLY 42 N 1.16 2.16 -1.49 4.51 0.00 -0.25 0.78 107.32 114.19 2jwn s GLY 42 Ca -0.06 -1.80 -0.03 0.00 0.00 0.00 0.00 44.72 42.82 2jwn s GLY 42 CO -0.06 -1.75 0.45 -2.01 0.00 0.00 0.00 173.10 169.73 2jwn n ASN 43 N -1.62 -5.76 -0.96 1.64 5.15 -0.85 -2.83 115.26 110.03 2jwn n ASN 43 Ca 0.03 -0.21 0.05 0.00 -0.60 0.00 0.00 54.58 53.85 2jwn n ASN 43 Cb 0.62 -4.62 0.20 0.00 -0.53 0.00 0.00 39.78 35.45 2jwn n ASN 43 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 2jwn n VAL 44 N -4.34 0.95 -1.13 3.44 3.14 -1.06 -4.82 118.33 114.50 2jwn n VAL 44 Ca -0.13 -0.64 -0.51 0.00 -2.96 0.00 0.00 64.34 60.10 2jwn n VAL 44 Cb 0.63 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.31 2jwn n VAL 44 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2jwn n ASP 45 N 0.55 0.71 0.00 6.55 9.92 -1.26 -3.85 116.55 129.17 2jwn n ASP 45 Ca 0.14 0.66 0.00 0.00 -0.53 0.00 0.00 54.79 55.06 2jwn n ASP 45 Cb 0.52 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 2jwn n ASP 45 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2jwn n TYR 46 N 5.57 0.00 1.28 1.24 4.01 -1.26 -4.35 117.16 123.65 2jwn n TYR 46 Ca 0.41 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.25 2jwn n TYR 46 Cb -0.04 0.00 0.60 0.00 -0.31 0.00 0.00 39.34 39.59 2jwn n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jwn n GLY 47 N 0.00 -0.64 3.08 2.72 0.00 -1.26 -4.59 105.19 104.49 2jwn n GLY 47 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2jwn n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jwn s SER 48 N -1.99 1.62 0.47 1.61 0.01 -1.25 -5.07 113.70 109.10 2jwn s SER 48 Ca 0.30 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.33 2jwn s SER 48 Cb 0.14 -0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 2jwn s SER 48 CO 0.23 0.13 0.07 0.42 0.41 0.00 0.00 173.24 174.51 2jwn s THR 49 N -0.05 0.79 0.09 1.44 -4.23 -1.26 -4.93 115.64 107.49 2jwn s THR 49 Ca 0.00 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 2jwn s THR 49 Cb -0.08 -2.18 -0.14 0.00 1.34 0.00 0.00 72.50 71.44 2jwn s THR 49 CO 0.01 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.83 2jwn h ALA 50 N 1.52 0.03 -0.91 3.99 0.00 -1.99 0.67 119.26 122.58 2jwn h ALA 50 Ca -0.39 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.56 2jwn h ALA 50 Cb 1.30 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 2jwn h ALA 50 CO 0.64 -0.47 0.58 1.96 0.00 0.00 0.00 179.25 181.96 2jwn h GLN 51 N 0.03 1.08 -0.44 0.00 4.20 -1.98 0.50 115.11 118.49 2jwn h GLN 51 Ca 0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2jwn h GLN 51 Cb -0.00 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 2jwn h GLN 51 CO -0.00 0.71 0.19 -0.44 -0.67 0.00 0.00 178.83 178.62 2jwn h ASP 52 N 1.11 0.60 -0.06 1.46 3.32 -1.86 -2.91 116.42 118.09 2jwn h ASP 52 Ca 0.37 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 2jwn h ASP 52 Cb 0.05 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2jwn h ASP 52 CO -0.13 0.59 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.66 2jwn h LEU 53 N 0.57 0.32 -0.24 1.55 3.38 -0.40 -2.87 115.31 117.61 2jwn h LEU 53 Ca 0.15 -0.64 0.03 0.00 0.09 0.00 0.00 57.88 57.51 2jwn h LEU 53 Cb 0.17 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2jwn h LEU 53 CO -0.01 0.90 0.06 -0.08 0.09 0.00 0.00 178.44 179.39 2jwn h GLU 54 N -0.25 0.15 -0.78 1.13 4.22 -0.05 0.27 114.58 119.27 2jwn h GLU 54 Ca -0.01 -0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.49 2jwn h GLU 54 Cb 0.88 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 2jwn h GLU 54 CO 0.05 0.10 0.46 0.00 -2.18 0.00 0.00 179.01 177.44 2jwn h ALA 55 N 1.17 1.09 -0.32 2.92 0.00 -1.59 0.43 119.26 122.96 2jwn h ALA 55 Ca 0.11 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2jwn h ALA 55 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jwn h ALA 55 CO -0.13 0.13 -0.13 1.25 0.00 0.00 0.00 179.25 180.37 2jwn h HIS 56 N 0.81 0.74 0.00 0.00 -0.00 -0.88 -2.76 115.15 113.06 2jwn h HIS 56 Ca 0.36 -0.18 -0.06 0.00 -0.00 0.00 0.00 60.37 60.49 2jwn h HIS 56 Cb 0.25 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 2jwn h HIS 56 CO -0.06 0.86 -0.31 0.74 -0.00 0.00 0.00 177.93 179.16 2jwn h PHE 57 N 0.42 0.00 0.00 5.26 0.04 -0.20 -3.17 116.94 119.29 2jwn h PHE 57 Ca 0.07 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 2jwn h PHE 57 Cb 0.65 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 2jwn h PHE 57 CO 0.06 0.30 -0.20 1.03 -0.60 0.00 0.00 178.31 178.90 2jwn h SER 58 N 0.00 0.00 0.29 2.17 0.87 0.02 0.02 113.55 116.92 2jwn h SER 58 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2jwn h SER 58 Cb 1.23 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2jwn h SER 58 CO 0.04 0.20 -0.04 0.28 -0.53 0.00 0.00 176.83 176.77 2jwn h SER 59 N 0.00 0.00 -0.48 6.23 0.02 -1.46 -1.90 113.55 115.96 2jwn h SER 59 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jwn h SER 59 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2jwn h SER 59 CO 0.03 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 2jwn n GLY 61 N 1.46 0.74 3.73 0.00 0.00 -0.71 -4.43 105.19 105.97 2jwn n GLY 61 Ca 0.20 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 2jwn n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jwn s SER 62 N -4.00 6.25 0.01 1.61 0.01 -1.26 -4.31 113.70 112.01 2jwn s SER 62 Ca 0.00 0.28 -0.25 0.00 1.31 0.00 0.00 55.95 57.29 2jwn s SER 62 Cb 0.00 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 64.07 2jwn s SER 62 CO 0.00 0.16 0.75 -0.63 0.41 0.00 0.00 173.24 173.93 2jwn s ILE 63 N 0.41 4.83 -0.23 1.44 1.01 -1.26 0.32 121.20 127.71 2jwn s ILE 63 Ca 0.10 1.58 -0.15 0.00 0.00 0.00 0.00 60.65 62.17 2jwn s ILE 63 Cb -0.11 -4.09 -0.17 0.00 0.01 0.00 0.00 42.46 38.09 2jwn s ILE 63 CO -0.01 0.33 -0.03 -3.20 0.00 0.00 0.00 174.94 172.03 2jwn n ASN 64 N 3.08 1.94 -3.80 3.58 2.85 0.16 -4.63 115.26 118.43 2jwn n ASN 64 Ca -0.02 0.32 -0.10 0.00 -0.11 0.00 0.00 54.58 54.68 2jwn n ASN 64 Cb 0.51 -0.85 -0.07 0.00 1.24 0.00 0.00 39.78 40.60 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2jwn s ARG 65 N -2.45 0.87 -0.15 1.20 0.52 -0.04 -4.96 118.95 113.93 2jwn s ARG 65 Ca -0.33 -0.82 -0.07 0.00 -0.52 0.00 0.00 55.73 53.99 2jwn s ARG 65 Cb 0.10 0.36 0.06 0.00 0.52 0.00 0.00 34.95 35.99 2jwn s ARG 65 CO 0.57 -0.29 0.34 -1.50 0.02 0.00 0.00 175.30 174.44 2jwn s ILE 66 N -3.56 -0.15 -0.06 1.52 2.07 -1.26 -0.23 121.20 119.53 2jwn s ILE 66 Ca 0.02 0.14 0.04 0.00 -1.41 0.00 0.00 60.65 59.45 2jwn s ILE 66 Cb 0.03 -0.52 -0.00 0.00 0.13 0.00 0.00 42.46 42.10 2jwn s ILE 66 CO -0.10 0.06 -0.18 -0.89 -1.91 0.00 0.00 174.94 171.92 2jwn s THR 67 N 1.62 1.52 -0.10 4.00 2.01 0.75 -4.98 115.64 120.47 2jwn s THR 67 Ca -0.07 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 2jwn s THR 67 Cb -0.10 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.12 2jwn s THR 67 CO -0.11 0.44 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.57 2jwn s ILE 68 N 0.17 0.87 -0.06 1.82 1.09 -1.26 -0.51 121.20 123.31 2jwn s ILE 68 Ca -0.08 -0.19 0.06 0.00 -1.10 0.00 0.00 60.65 59.33 2jwn s ILE 68 Cb -0.13 -0.91 -0.01 0.00 -1.06 0.00 0.00 42.46 40.35 2jwn s ILE 68 CO 0.04 0.34 -0.24 -1.48 -0.10 0.00 0.00 174.94 173.49 2jwn s LEU 69 N 1.71 2.05 -0.15 2.97 2.34 0.04 -4.99 118.68 122.66 2jwn s LEU 69 Ca 0.04 -0.50 0.01 0.00 0.06 0.00 0.00 54.13 53.73 2jwn s LEU 69 Cb -0.13 -1.34 -0.00 0.00 -0.56 0.00 0.00 46.19 44.16 2jwn s LEU 69 CO -0.07 0.22 -0.16 0.00 -1.06 0.00 0.00 176.35 175.28 2jwn s ASP 71 N 0.70 5.34 0.00 0.00 1.47 -0.90 -4.88 116.67 118.41 2jwn s ASP 71 Ca -0.07 -0.05 0.01 0.00 1.18 0.00 0.00 52.55 53.61 2jwn s ASP 71 Cb -0.16 -1.92 0.01 0.00 -0.34 0.00 0.00 42.92 40.51 2jwn s ASP 71 CO 0.02 0.10 0.65 0.29 0.68 0.00 0.00 175.17 176.90 2jwn n LYS 72 N 4.00 0.08 0.16 2.11 5.02 -1.26 -0.75 118.16 127.53 2jwn n LYS 72 Ca -0.16 -0.79 0.16 0.00 -2.02 0.00 0.00 58.31 55.50 2jwn n LYS 72 Cb 0.52 -1.01 0.76 0.00 -0.02 0.00 0.00 35.03 35.27 2jwn n LYS 72 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2jwn h PHE 73 N 0.12 0.00 -0.63 2.13 -5.15 -1.92 0.16 116.94 111.64 2jwn h PHE 73 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2jwn h PHE 73 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.32 2jwn h PHE 73 CO 0.00 0.00 0.00 0.45 -2.00 0.00 0.00 178.31 176.76 2jwn n SER 74 N -4.11 3.59 0.00 -0.68 2.88 -1.26 -4.95 113.62 109.10 2jwn n SER 74 Ca 0.03 -2.07 0.00 0.00 -1.33 0.00 0.00 58.87 55.50 2jwn n SER 74 Cb 0.35 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2jwn n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jwn n GLY 75 N 1.44 2.88 3.67 0.46 0.00 0.55 -5.01 105.19 109.18 2jwn n GLY 75 Ca 0.22 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 2jwn n GLY 75 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jwn s HIS 76 N 0.00 3.37 -0.08 1.61 3.76 -1.26 -4.90 115.29 117.79 2jwn s HIS 76 Ca 0.00 0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 55.16 2jwn s HIS 76 Cb 0.00 -2.47 -0.05 0.00 1.11 0.00 0.00 32.58 31.17 2jwn s HIS 76 CO 0.00 0.02 1.62 -1.25 -0.85 0.00 0.00 174.74 174.28 2jwn s PRO 77 N 1.21 4.15 0.00 8.40 0.04 -1.24 -4.49 135.00 143.08 2jwn s PRO 77 Ca 0.17 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2jwn s PRO 77 Cb -0.14 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2jwn s PRO 77 CO 0.07 -0.87 0.00 1.63 0.04 0.00 0.00 177.00 177.87 2jwn n LYS 78 N 7.13 3.59 0.00 4.56 5.02 0.07 -4.84 118.16 133.69 2jwn n LYS 78 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2jwn n LYS 78 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 2jwn n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jwn n GLY 79 N 5.00 0.97 3.09 0.72 0.00 -1.26 -2.11 105.19 111.61 2jwn n GLY 79 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 2jwn n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jwn s TYR 80 N -2.00 0.72 -0.05 1.61 2.02 -0.24 -2.01 117.35 117.39 2jwn s TYR 80 Ca 0.00 -0.64 0.02 0.00 -0.37 0.00 0.00 57.07 56.08 2jwn s TYR 80 Cb 0.00 -0.43 0.01 0.00 -0.40 0.00 0.00 41.96 41.15 2jwn s TYR 80 CO 0.00 -0.12 -0.09 0.00 -1.57 0.00 0.00 175.55 173.78 2jwn s ALA 81 N -2.13 0.95 -0.20 3.71 0.00 0.23 -0.78 121.76 123.54 2jwn s ALA 81 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 2jwn s ALA 81 Cb -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2jwn s ALA 81 CO -0.02 0.08 -0.11 0.71 0.00 0.00 0.00 175.76 176.42 2jwn s TYR 82 N 0.65 2.88 -0.14 0.00 2.02 0.33 0.12 117.35 123.21 2jwn s TYR 82 Ca -0.11 -1.22 -0.01 0.00 -0.37 0.00 0.00 57.07 55.36 2jwn s TYR 82 Cb -0.14 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 2jwn s TYR 82 CO 0.02 -0.64 -0.12 0.42 -1.57 0.00 0.00 175.55 173.66 2jwn s ILE 83 N 1.35 3.10 -0.24 2.71 1.09 -1.02 -0.18 121.20 128.01 2jwn s ILE 83 Ca 0.05 -0.64 -0.11 0.00 -1.10 0.00 0.00 60.65 58.85 2jwn s ILE 83 Cb -0.14 -2.31 -0.05 0.00 -1.06 0.00 0.00 42.46 38.90 2jwn s ILE 83 CO -0.07 0.52 0.18 -1.61 -0.10 0.00 0.00 174.94 173.86 2jwn s GLU 84 N 0.45 4.06 0.28 2.79 8.01 0.68 -0.89 118.70 134.08 2jwn s GLU 84 Ca -0.09 -0.24 -0.02 0.00 0.01 0.00 0.00 54.97 54.62 2jwn s GLU 84 Cb -0.16 -3.55 -0.04 0.00 -4.31 0.00 0.00 34.13 26.07 2jwn s GLU 84 CO 0.05 0.02 0.51 -0.06 0.01 0.00 0.00 175.26 175.79 2jwn s PHE 85 N 1.16 3.48 0.33 1.61 0.40 0.17 0.37 117.98 125.51 2jwn s PHE 85 Ca 0.08 0.49 0.08 0.00 -0.60 0.00 0.00 56.93 56.98 2jwn s PHE 85 Cb -0.14 -1.98 0.59 0.00 0.51 0.00 0.00 43.02 42.00 2jwn s PHE 85 CO 0.05 0.22 1.78 0.00 0.70 0.00 0.00 175.22 177.97 2jwn h ALA 86 N 1.54 1.27 -3.99 5.36 0.00 -0.40 -3.40 119.26 119.64 2jwn h ALA 86 Ca -0.48 -0.34 -0.67 0.00 0.00 0.00 0.00 54.91 53.42 2jwn h ALA 86 Cb 1.20 -0.09 -0.23 0.00 0.00 0.00 0.00 17.79 18.67 2jwn h ALA 86 CO 0.65 0.50 -0.87 -2.00 0.00 0.00 0.00 179.25 177.54 2jwn s GLU 87 N -4.34 1.46 0.38 0.00 -6.30 -1.26 -5.01 118.70 103.63 2jwn s GLU 87 Ca -0.05 -1.25 0.18 0.00 -2.50 0.00 0.00 54.97 51.35 2jwn s GLU 87 Cb 0.14 -1.84 0.72 0.00 0.00 0.00 0.00 34.13 33.15 2jwn s GLU 87 CO 0.75 0.45 1.76 -0.09 0.02 0.00 0.00 175.26 178.15 2jwn h ARG 88 N 4.18 0.00 -0.33 4.30 9.65 -1.92 -2.36 114.38 127.90 2jwn h ARG 88 Ca -0.49 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.36 2jwn h ARG 88 Cb 1.16 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 2jwn h ARG 88 CO 0.40 0.38 0.08 -0.97 2.80 0.00 0.00 179.97 182.67 2jwn h ASN 89 N 0.00 0.44 -0.21 -3.80 -1.24 -1.97 -2.61 115.58 106.19 2jwn h ASN 89 Ca -0.00 -0.06 -0.09 0.00 0.71 0.00 0.00 56.30 56.86 2jwn h ASN 89 Cb 0.83 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.75 2jwn h ASN 89 CO 0.05 0.45 -0.17 0.28 -1.29 0.00 0.00 177.43 176.74 2jwn h SER 90 N 0.48 0.63 -0.24 1.15 0.02 -1.63 -1.22 113.55 112.73 2jwn h SER 90 Ca 0.11 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.73 2jwn h SER 90 Cb 0.19 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2jwn h SER 90 CO -0.00 0.81 -0.33 -0.37 -1.14 0.00 0.00 176.83 175.80 2jwn h VAL 91 N 0.57 1.28 -0.03 2.27 -1.51 -1.49 -1.01 116.25 116.33 2jwn h VAL 91 Ca 0.09 -1.48 -0.09 0.00 -1.23 0.00 0.00 66.70 63.99 2jwn h VAL 91 Cb 0.62 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 2jwn h VAL 91 CO 0.04 0.49 -0.39 -0.78 -1.23 0.00 0.00 177.57 175.70 2jwn h ASP 92 N 0.63 0.05 0.55 4.19 3.58 -1.18 0.70 116.42 124.94 2jwn h ASP 92 Ca 0.07 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.35 2jwn h ASP 92 Cb 0.86 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 2jwn h ASP 92 CO 0.08 0.44 -0.66 0.00 -2.88 0.00 0.00 179.24 176.22 2jwn h ALA 93 N 1.56 0.85 -0.00 -0.78 0.00 -0.88 -3.25 119.26 116.76 2jwn h ALA 93 Ca 0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 54.91 54.09 2jwn h ALA 93 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jwn h ALA 93 CO 0.05 0.80 -0.95 0.00 0.00 0.00 0.00 179.25 179.15 2jwn h ALA 94 N 1.25 0.35 -0.10 0.00 0.00 0.20 -3.15 119.26 117.81 2jwn h ALA 94 Ca -0.01 -0.71 0.03 0.00 0.00 0.00 0.00 54.91 54.22 2jwn h ALA 94 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2jwn h ALA 94 CO 0.09 0.80 0.33 -0.39 0.00 0.00 0.00 179.25 180.08 2jwn h VAL 95 N 0.25 0.11 0.00 0.00 -1.51 -0.96 0.14 116.25 114.28 2jwn h VAL 95 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2jwn h VAL 95 Cb 1.58 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 2jwn h VAL 95 CO 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.51 2jwn n ALA 96 N -2.03 1.33 0.25 5.19 0.00 -1.19 -0.89 120.51 123.16 2jwn n ALA 96 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.61 2jwn n ALA 96 Cb 0.41 -1.22 0.22 0.00 0.00 0.00 0.00 19.45 18.86 2jwn n ALA 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jwn n MET 97 N -1.85 2.52 -0.21 0.00 2.81 0.48 -4.68 117.12 116.20 2jwn n MET 97 Ca 0.01 -2.31 0.00 0.00 -1.81 0.00 0.00 57.70 53.59 2jwn n MET 97 Cb 0.10 -1.51 0.08 0.00 -0.71 0.00 0.00 33.22 31.18 2jwn n MET 97 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 2jwn h ASP 98 N 4.43 -0.42 -0.63 7.83 2.03 -1.16 -0.49 116.42 128.01 2jwn h ASP 98 Ca 0.00 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.47 2jwn h ASP 98 Cb 0.98 0.33 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 2jwn h ASP 98 CO 0.00 -0.16 0.00 1.21 -1.03 0.00 0.00 179.24 179.26 2jwn n GLU 99 N -5.35 3.27 -2.21 4.15 2.13 -1.26 -3.27 120.64 118.10 2jwn n GLU 99 Ca 0.08 -2.73 -0.34 0.00 0.66 0.00 0.00 57.16 54.84 2jwn n GLU 99 Cb 0.35 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.34 2jwn n GLU 99 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2jwn s THR 100 N -1.51 3.50 -0.16 6.31 2.01 -0.19 -4.88 115.64 120.73 2jwn s THR 100 Ca 0.47 0.84 -0.08 0.00 0.31 0.00 0.00 61.69 63.24 2jwn s THR 100 Cb 0.28 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2jwn s THR 100 CO 0.26 -0.29 0.10 0.54 -0.69 0.00 0.00 174.62 174.54 2jwn s VAL 101 N -2.08 5.19 -0.12 3.82 0.11 -1.26 -2.96 120.40 123.09 2jwn s VAL 101 Ca 0.68 0.10 -0.01 0.00 -2.93 0.00 0.00 61.98 59.83 2jwn s VAL 101 Cb -0.19 -3.31 0.03 0.00 -1.53 0.00 0.00 36.38 31.38 2jwn s VAL 101 CO 0.30 0.52 -0.06 0.12 -3.33 0.00 0.00 175.10 172.65 2jwn s PHE 102 N -0.23 1.44 -1.35 1.54 5.36 0.10 -4.78 117.98 120.06 2jwn s PHE 102 Ca 0.10 -0.76 -0.03 0.00 -0.96 0.00 0.00 56.93 55.28 2jwn s PHE 102 Cb -0.12 -1.20 0.01 0.00 -0.34 0.00 0.00 43.02 41.37 2jwn s PHE 102 CO 0.01 -0.52 0.21 0.54 -1.46 0.00 0.00 175.22 174.00 2jwn n ARG 103 N 4.95 -2.86 -0.14 10.12 1.74 -1.26 -1.72 116.66 127.49 2jwn n ARG 103 Ca -0.12 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 2jwn n ARG 103 Cb 0.49 -5.41 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 2jwn n ARG 103 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jwn n GLY 104 N -1.06 0.81 3.32 -0.13 0.00 -1.26 -5.04 105.19 101.83 2jwn n GLY 104 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 2jwn n GLY 104 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jwn s ARG 105 N -0.69 1.60 -0.19 1.61 1.70 -0.70 -5.10 118.95 117.19 2jwn s ARG 105 Ca 0.00 -1.10 -0.27 0.00 -0.47 0.00 0.00 55.73 53.89 2jwn s ARG 105 Cb 0.00 -1.81 -0.01 0.00 -0.57 0.00 0.00 34.95 32.56 2jwn s ARG 105 CO 0.00 0.46 0.92 0.99 -1.08 0.00 0.00 175.30 176.59 2jwn s THR 106 N -0.85 4.80 0.45 4.99 2.01 -1.26 0.01 115.64 125.79 2jwn s THR 106 Ca 0.11 1.79 0.08 0.00 0.31 0.00 0.00 61.69 63.98 2jwn s THR 106 Cb -0.10 -4.21 0.02 0.00 0.01 0.00 0.00 72.50 68.22 2jwn s THR 106 CO 0.03 -0.05 0.57 0.27 -0.69 0.00 0.00 174.62 174.74 2jwn s ILE 107 N 2.54 2.78 -0.11 1.82 -4.36 -1.16 -4.86 121.20 117.86 2jwn s ILE 107 Ca 0.41 -1.07 0.03 0.00 -0.26 0.00 0.00 60.65 59.76 2jwn s ILE 107 Cb -0.16 -2.85 0.01 0.00 1.25 0.00 0.00 42.46 40.71 2jwn s ILE 107 CO 0.11 0.00 -0.21 -0.54 0.24 0.00 0.00 174.94 174.54 2jwn s LYS 108 N -4.36 2.74 -0.26 0.37 -0.14 -1.13 -4.42 119.74 112.55 2jwn s LYS 108 Ca 0.54 -0.77 0.00 0.00 -1.36 0.00 0.00 55.97 54.39 2jwn s LYS 108 Cb -0.08 -2.15 0.05 0.00 -1.68 0.00 0.00 37.83 33.96 2jwn s LYS 108 CO 0.33 0.08 -0.08 0.08 -0.76 0.00 0.00 175.35 175.00 2jwn s VAL 109 N 0.58 2.54 -0.03 3.17 1.01 -1.20 -1.09 120.40 125.38 2jwn s VAL 109 Ca -0.14 -1.36 -0.00 0.00 0.00 0.00 0.00 61.98 60.48 2jwn s VAL 109 Cb -0.17 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.85 2jwn s VAL 109 CO 0.04 0.06 0.04 -0.22 0.00 0.00 0.00 175.10 175.02 2jwn s LEU 110 N 1.21 1.03 0.28 3.92 0.20 0.55 -4.10 118.68 121.77 2jwn s LEU 110 Ca -0.05 0.07 -0.30 0.00 0.69 0.00 0.00 54.13 54.55 2jwn s LEU 110 Cb -0.18 -0.02 -0.13 0.00 -0.43 0.00 0.00 46.19 45.43 2jwn s LEU 110 CO -0.05 -0.13 1.36 -2.65 -0.29 0.00 0.00 176.35 174.59 2jwn n PRO 111 N 4.20 2.07 -1.51 0.98 -0.02 -1.26 0.60 135.00 140.06 2jwn n PRO 111 Ca -0.28 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 61.53 2jwn n PRO 111 Cb 0.50 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 2jwn n PRO 111 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2jwn n LYS 112 N 1.47 3.11 0.00 -0.52 4.81 -0.20 -4.68 118.16 122.15 2jwn n LYS 112 Ca 0.09 -2.37 0.00 0.00 -0.87 0.00 0.00 58.31 55.16 2jwn n LYS 112 Cb 0.33 -3.05 0.00 0.00 0.02 0.00 0.00 35.03 32.33 2jwn n LYS 112 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2jwn n ARG 113 N 5.07 0.00 0.00 1.64 5.12 -1.26 -4.79 116.66 122.44 2jwn n ARG 113 Ca 0.62 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.54 2jwn n ARG 113 Cb 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.62 2jwn n ARG 113 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2jwn n THR 114 N 0.00 0.00 -2.36 0.55 -1.04 -1.26 -4.81 114.28 105.36 2jwn n THR 114 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 2jwn n THR 114 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2jwn n THR 114 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2jwn s ASN 115 N 0.00 6.04 0.29 8.00 3.84 -1.26 -4.87 114.94 126.98 2jwn s ASN 115 Ca 0.00 0.27 0.10 0.00 0.21 0.00 0.00 52.86 53.44 2jwn s ASN 115 Cb 0.00 -2.54 -0.05 0.00 -0.55 0.00 0.00 41.25 38.11 2jwn s ASN 115 CO 0.00 -1.78 -0.05 -0.04 -2.79 0.00 0.00 177.10 172.44 2jwn s MET 116 N 5.67 2.07 0.38 0.43 -1.94 -1.26 -5.00 119.30 119.64 2jwn s MET 116 Ca 0.53 -1.60 0.26 0.00 -1.71 0.00 0.00 55.69 53.17 2jwn s MET 116 Cb -0.11 -2.00 1.36 0.00 2.01 0.00 0.00 34.83 36.09 2jwn s MET 116 CO 0.24 0.29 1.80 -1.35 -0.01 0.00 0.00 175.02 175.99 2jwn h PRO 117 N 1.96 0.00 -4.98 2.03 0.11 -2.04 -3.43 132.00 125.65 2jwn h PRO 117 Ca -0.43 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.17 2jwn h PRO 117 Cb 1.25 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 2jwn h PRO 117 CO 0.62 0.00 -0.51 0.20 -0.21 0.00 0.00 178.00 178.10 2jwn s GLY 118 N -3.68 2.46 -0.50 -0.55 0.00 -1.26 -5.10 107.32 98.69 2jwn s GLY 118 Ca -0.02 -1.52 -0.21 0.00 0.00 0.00 0.00 44.72 42.98 2jwn s GLY 118 CO 0.28 -1.71 0.69 -0.26 0.00 0.00 0.00 173.10 172.11 2jwn s ILE 119 N -3.33 4.76 -0.14 0.90 -4.36 -1.26 -5.02 121.20 112.75 2jwn s ILE 119 Ca 0.30 -0.17 -0.20 0.00 -0.26 0.00 0.00 60.65 60.31 2jwn s ILE 119 Cb 0.03 -4.32 -0.03 0.00 1.25 0.00 0.00 42.46 39.38 2jwn s ILE 119 CO 0.18 -0.81 0.58 -0.55 0.24 0.00 0.00 174.94 174.58 2jwn s SER 120 N 2.53 6.74 -0.58 4.36 0.15 -1.26 -5.02 113.70 120.62 2jwn s SER 120 Ca 0.20 0.89 -0.15 0.00 0.70 0.00 0.00 55.95 57.60 2jwn s SER 120 Cb -0.16 -2.34 0.14 0.00 -1.71 0.00 0.00 66.02 61.95 2jwn s SER 120 CO 0.15 -0.14 0.52 -0.94 1.20 0.00 0.00 173.24 174.04 2jwn s SER 121 N 0.91 6.21 -0.22 5.45 1.04 -1.26 -5.04 113.70 120.79 2jwn s SER 121 Ca 0.29 -1.98 -0.27 0.00 0.48 0.00 0.00 55.95 54.47 2jwn s SER 121 Cb -0.16 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2jwn s SER 121 CO 0.12 -0.78 0.96 -0.89 0.98 0.00 0.00 173.24 173.63 2jwn s THR 122 N 1.30 4.75 -0.21 2.02 2.01 -1.26 -4.46 115.64 119.78 2jwn s THR 122 Ca 0.06 1.87 -0.03 0.00 0.31 0.00 0.00 61.69 63.90 2jwn s THR 122 Cb -0.26 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.02 2jwn s THR 122 CO 0.00 -0.12 0.05 -0.67 -0.69 0.00 0.00 174.62 173.20 2jwn n ASP 123 N 6.04 -5.04 0.00 3.53 2.03 -1.26 -5.30 116.55 116.56 2jwn n ASP 123 Ca 0.09 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.50 2jwn n ASP 123 Cb 0.47 -4.36 0.00 0.00 -0.72 0.00 0.00 41.12 36.51 2jwn n ASP 123 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17