#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 4.19 -0.07 0.00 1.01 -1.26 -5.06 121.20 120.01 2jwn s ILE 2 Ca 0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.77 2jwn s ILE 2 Cb 0.00 -3.22 0.03 0.00 0.01 0.00 0.00 42.46 39.28 2jwn s ILE 2 CO 0.00 -0.02 0.36 0.00 0.00 0.00 0.00 174.94 175.28 2jwn s ALA 3 N 1.52 -0.92 0.95 9.38 0.00 -1.26 -5.16 121.76 126.28 2jwn s ALA 3 Ca 0.02 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.59 2jwn s ALA 3 Cb -0.18 -0.24 0.16 0.00 0.00 0.00 0.00 23.12 22.87 2jwn s ALA 3 CO 0.04 -0.23 1.10 -2.14 0.00 0.00 0.00 175.76 174.53 2jwn s PRO 4 N -0.64 0.76 0.62 0.00 0.02 -1.26 -5.01 135.00 129.49 2jwn s PRO 4 Ca -0.07 1.22 -0.13 0.00 0.02 0.00 0.00 61.00 62.04 2jwn s PRO 4 Cb -0.04 -1.72 -0.03 0.00 0.02 0.00 0.00 34.50 32.73 2jwn s PRO 4 CO 0.03 -2.70 1.04 0.00 -0.33 0.00 0.00 177.00 175.04 2jwn s MET 6 N -4.74 4.48 0.00 0.00 0.23 -1.26 -3.62 119.30 114.40 2jwn s MET 6 Ca 0.58 1.44 0.00 0.00 -1.03 0.00 0.00 55.69 56.69 2jwn s MET 6 Cb -0.13 -3.50 0.00 0.00 -1.53 0.00 0.00 34.83 29.68 2jwn s MET 6 CO 0.47 -0.20 0.13 0.00 -2.03 0.00 0.00 175.02 173.39 2jwn n GLN 7 N 4.46 0.00 -5.08 3.16 10.64 -1.13 -4.93 117.38 124.49 2jwn n GLN 7 Ca 0.08 -0.13 -0.32 0.00 -1.83 0.00 0.00 57.00 54.80 2jwn n GLN 7 Cb 0.49 -0.21 -0.15 0.00 -0.86 0.00 0.00 30.24 29.52 2jwn n GLN 7 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2jwn s THR 8 N 0.00 2.49 0.25 -0.39 -1.32 -1.22 -4.20 115.64 111.25 2jwn s THR 8 Ca 0.00 -0.91 -0.00 0.00 -1.21 0.00 0.00 61.69 59.57 2jwn s THR 8 Cb 0.00 -1.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.00 2jwn s THR 8 CO 0.00 0.57 0.23 0.42 -2.21 0.00 0.00 174.62 173.63 2jwn s THR 9 N -0.20 0.00 0.00 5.08 -4.23 -1.26 -4.48 115.64 110.54 2jwn s THR 9 Ca -0.01 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2jwn s THR 9 Cb -0.13 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2jwn s THR 9 CO 0.03 0.00 0.00 1.57 -0.54 0.00 0.00 174.62 175.68 2jwn n HIS 10 N -0.39 0.00 -3.28 3.99 -0.00 -1.26 -4.80 115.22 109.49 2jwn n HIS 10 Ca 0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.36 2jwn n HIS 10 Cb 0.64 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.57 2jwn n HIS 10 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2jwn s SER 11 N 0.00 7.03 0.00 0.26 0.01 -1.26 -4.89 113.70 114.85 2jwn s SER 11 Ca 0.00 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.48 2jwn s SER 11 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2jwn s SER 11 CO 0.00 0.24 0.00 2.29 0.41 0.00 0.00 173.24 176.18 2jwn n LYS 12 N 1.95 0.00 -2.11 12.44 0.00 -1.26 -5.08 118.16 124.10 2jwn n LYS 12 Ca -0.10 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.81 2jwn n LYS 12 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.51 2jwn n LYS 12 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2jwn s MET 13 N 0.00 2.91 0.26 -1.58 -1.94 -1.26 -4.24 119.30 113.45 2jwn s MET 13 Ca 0.00 0.72 0.00 0.00 -1.71 0.00 0.00 55.69 54.70 2jwn s MET 13 Cb 0.00 -4.29 0.00 0.00 2.01 0.00 0.00 34.83 32.55 2jwn s MET 13 CO 0.00 -2.39 0.00 2.41 -0.01 0.00 0.00 175.02 175.03 2jwn n THR 14 N 7.16 0.00 -3.78 2.05 -1.04 -1.26 -5.11 114.28 112.31 2jwn n THR 14 Ca 0.19 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.11 2jwn n THR 14 Cb 0.50 -0.14 -0.02 0.00 -1.82 0.00 0.00 70.33 68.85 2jwn n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwn s ALA 15 N -2.00 -1.18 0.00 2.41 0.00 -1.26 -4.91 121.76 114.82 2jwn s ALA 15 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2jwn s ALA 15 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.99 2jwn s ALA 15 CO 0.00 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.22 2jwn n GLY 16 N -0.43 0.60 1.05 0.00 0.00 -1.26 -4.80 105.19 100.35 2jwn n GLY 16 Ca -0.07 -0.35 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.89 2.66 0.00 4.61 0.00 -1.26 -4.90 120.51 120.74 2jwn n ALA 17 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.12 2jwn n ALA 17 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2jwn n ALA 17 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2jwn n TYR 18 N 0.20 0.00 -1.86 0.00 4.11 -1.26 -4.72 117.16 113.63 2jwn n TYR 18 Ca -0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.90 2jwn n TYR 18 Cb 0.86 0.00 0.15 0.00 -0.00 0.00 0.00 39.34 40.34 2jwn n TYR 18 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2jwn n THR 19 N -0.24 1.51 -3.34 -3.48 -1.04 -1.26 -5.02 114.28 101.40 2jwn n THR 19 Ca 0.00 -2.50 -0.46 0.00 -2.04 0.00 0.00 64.05 59.06 2jwn n THR 19 Cb 0.00 0.14 -0.05 0.00 -1.82 0.00 0.00 70.33 68.61 2jwn n THR 19 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2jwn s GLU 20 N -2.21 3.11 2.08 -2.82 8.01 -1.26 -4.89 118.70 120.71 2jwn s GLU 20 Ca 0.36 -1.94 0.00 0.00 0.01 0.00 0.00 54.97 53.40 2jwn s GLU 20 Cb 0.37 -4.29 0.00 0.00 -4.31 0.00 0.00 34.13 25.90 2jwn s GLU 20 CO -0.10 -1.30 0.00 0.41 0.01 0.00 0.00 175.26 174.28 2jwn n GLY 21 N 4.83 1.02 0.28 -1.39 0.00 -1.26 -4.19 105.19 104.48 2jwn n GLY 21 Ca -0.05 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.46 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 0.24 -6.08 1.61 0.11 -2.05 -3.44 132.00 122.39 2jwn h PRO 22 Ca 0.00 -0.01 -0.76 0.00 0.11 0.00 0.00 66.00 65.33 2jwn h PRO 22 Cb 0.00 -0.05 0.05 0.00 0.11 0.00 0.00 31.00 31.11 2jwn h PRO 22 CO 0.00 0.16 0.20 -0.35 -0.21 0.00 0.00 178.00 177.80 2jwn n PRO 23 N -5.19 0.33 -1.75 1.05 -0.04 -1.26 -4.84 135.00 123.30 2jwn n PRO 23 Ca 0.16 0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 2jwn n PRO 23 Cb 0.51 -1.66 -0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2jwn n PRO 23 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jwn n GLN 24 N 1.93 2.55 -2.17 0.54 1.13 -1.26 -4.89 117.38 115.21 2jwn n GLN 24 Ca 0.20 0.90 -0.40 0.00 -1.94 0.00 0.00 57.00 55.75 2jwn n GLN 24 Cb 0.11 -2.60 -0.03 0.00 0.11 0.00 0.00 30.24 27.83 2jwn n GLN 24 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2jwn s PRO 25 N -1.84 2.99 1.28 -1.09 0.04 -1.26 -4.98 135.00 130.14 2jwn s PRO 25 Ca 0.55 0.65 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 2jwn s PRO 25 Cb -0.50 -4.26 0.32 0.00 0.04 0.00 0.00 34.50 30.09 2jwn s PRO 25 CO 0.61 -2.30 1.00 -0.48 0.04 0.00 0.00 177.00 175.88 2jwn s LEU 26 N 7.57 -0.06 0.42 -3.56 -0.00 -1.26 -4.91 118.68 116.88 2jwn s LEU 26 Ca 0.63 0.99 -0.25 0.00 -0.00 0.00 0.00 54.13 55.50 2jwn s LEU 26 Cb -0.13 -2.65 -0.10 0.00 -0.00 0.00 0.00 46.19 43.30 2jwn s LEU 26 CO 0.24 -4.66 1.06 -1.20 -0.00 0.00 0.00 176.35 171.78 2jwn n SER 27 N -5.17 1.48 -0.17 1.48 7.64 -1.26 -4.75 113.62 112.87 2jwn n SER 27 Ca 0.09 1.05 -0.03 0.00 1.01 0.00 0.00 58.87 61.00 2jwn n SER 27 Cb 0.58 -1.38 0.07 0.00 -1.01 0.00 0.00 64.21 62.47 2jwn n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jwn h ALA 28 N 1.64 0.66 -0.07 -0.43 0.00 -1.99 -0.54 119.26 118.52 2jwn h ALA 28 Ca -0.45 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 2jwn h ALA 28 Cb 1.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2jwn h ALA 28 CO 0.57 -0.17 -0.45 0.93 0.00 0.00 0.00 179.25 180.14 2jwn h GLU 29 N 0.42 0.17 -0.37 0.00 5.08 -2.00 -0.58 114.58 117.30 2jwn h GLU 29 Ca 0.25 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2jwn h GLU 29 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2jwn h GLU 29 CO -0.22 0.59 0.15 0.93 -1.00 0.00 0.00 179.01 179.46 2jwn h GLU 30 N 0.14 0.52 -0.17 2.33 3.07 -1.70 -1.71 114.58 117.07 2jwn h GLU 30 Ca 0.01 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 2jwn h GLU 30 Cb 0.85 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 2jwn h GLU 30 CO 0.07 0.43 0.02 0.87 -1.40 0.00 0.00 179.01 179.00 2jwn h LYS 31 N 0.52 0.29 -0.53 2.33 1.79 0.37 -0.22 116.57 121.12 2jwn h LYS 31 Ca 0.13 -0.08 0.09 0.00 -2.18 0.00 0.00 60.65 58.61 2jwn h LYS 31 Cb 0.10 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.64 2jwn h LYS 31 CO -0.01 0.47 0.13 0.87 -1.08 0.00 0.00 179.45 179.83 2jwn h LYS 32 N 0.07 0.27 -0.23 3.15 6.56 -0.82 -0.76 116.57 124.81 2jwn h LYS 32 Ca 0.05 -0.02 -0.11 0.00 -1.06 0.00 0.00 60.65 59.51 2jwn h LYS 32 Cb 0.33 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 31.92 2jwn h LYS 32 CO 0.00 0.18 -0.30 0.93 -2.06 0.00 0.00 179.45 178.20 2jwn h GLU 33 N 0.28 0.61 -0.20 3.15 5.08 -1.08 -2.48 114.58 119.92 2jwn h GLU 33 Ca 0.27 -0.35 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 2jwn h GLU 33 Cb 0.36 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2jwn h GLU 33 CO -0.33 0.95 -0.47 -0.84 -1.00 0.00 0.00 179.01 177.32 2jwn h ILE 34 N 0.30 1.31 0.00 3.13 3.07 -0.86 -2.87 117.51 121.60 2jwn h ILE 34 Ca 0.03 -1.68 -0.06 0.00 1.55 0.00 0.00 64.86 64.69 2jwn h ILE 34 Cb 0.88 1.67 -0.01 0.00 -0.27 0.00 0.00 36.82 39.09 2jwn h ILE 34 CO 0.07 0.52 -0.30 0.44 -1.05 0.00 0.00 178.15 177.83 2jwn h ASP 35 N 0.43 0.00 0.95 2.16 5.19 -1.10 -1.94 116.42 122.11 2jwn h ASP 35 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2jwn h ASP 35 Cb 0.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.50 2jwn h ASP 35 CO 0.09 0.30 0.00 0.29 -3.12 0.00 0.00 179.24 176.80 2jwn n LYS 36 N -4.08 0.04 -0.14 3.56 5.02 -0.94 -3.30 118.16 118.32 2jwn n LYS 36 Ca -0.02 0.09 0.09 0.00 -2.02 0.00 0.00 58.31 56.45 2jwn n LYS 36 Cb 0.35 -1.55 0.15 0.00 -0.02 0.00 0.00 35.03 33.96 2jwn n LYS 36 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jwn n ARG 37 N -1.62 1.80 -3.58 1.97 1.74 -0.74 -4.86 116.66 111.37 2jwn n ARG 37 Ca 0.06 -2.51 -0.38 0.00 -0.77 0.00 0.00 57.85 54.25 2jwn n ARG 37 Cb 0.32 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 2jwn n ARG 37 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2jwn s SER 38 N -2.47 6.70 0.22 0.55 0.01 -1.15 -0.64 113.70 116.92 2jwn s SER 38 Ca 0.30 0.83 0.08 0.00 1.31 0.00 0.00 55.95 58.47 2jwn s SER 38 Cb 0.26 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 2jwn s SER 38 CO 0.04 0.32 -0.13 0.68 0.41 0.00 0.00 173.24 174.56 2jwn s VAL 39 N -0.92 1.75 -0.18 3.43 -7.23 -0.19 -0.74 120.40 116.32 2jwn s VAL 39 Ca 0.22 -2.21 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 2jwn s VAL 39 Cb -0.15 -2.12 -0.00 0.00 0.56 0.00 0.00 36.38 34.66 2jwn s VAL 39 CO 0.11 -0.54 -0.11 -0.47 -0.31 0.00 0.00 175.10 173.78 2jwn s TYR 40 N -2.96 2.87 -0.33 2.82 5.04 0.33 -1.87 117.35 123.24 2jwn s TYR 40 Ca 0.24 -1.02 -0.04 0.00 -2.44 0.00 0.00 57.07 53.82 2jwn s TYR 40 Cb -0.00 -1.98 0.06 0.00 0.35 0.00 0.00 41.96 40.38 2jwn s TYR 40 CO 0.08 -0.51 0.07 0.08 -1.34 0.00 0.00 175.55 173.94 2jwn s VAL 41 N 1.09 3.35 0.31 3.14 1.01 0.24 -0.53 120.40 129.00 2jwn s VAL 41 Ca 0.00 -1.40 0.05 0.00 0.00 0.00 0.00 61.98 60.63 2jwn s VAL 41 Cb -0.15 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2jwn s VAL 41 CO -0.03 -0.23 0.45 -0.83 0.00 0.00 0.00 175.10 174.47 2jwn s GLY 42 N 1.42 1.45 -1.93 4.51 0.00 0.77 0.55 107.32 114.09 2jwn s GLY 42 Ca -0.02 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2jwn s GLY 42 CO -0.00 -1.26 0.00 -2.01 0.00 0.00 0.00 173.10 169.83 2jwn n ASN 43 N -1.61 -4.95 -4.67 1.64 5.15 -0.85 -2.63 115.26 107.35 2jwn n ASN 43 Ca -0.03 0.41 -0.45 0.00 -0.60 0.00 0.00 54.58 53.91 2jwn n ASN 43 Cb 0.58 -4.39 -0.02 0.00 -0.53 0.00 0.00 39.78 35.41 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 -2.41 1.09 -2.51 3.44 3.14 -0.99 -4.81 118.33 115.28 2jwn n VAL 44 Ca -0.19 -0.27 -0.35 0.00 -2.96 0.00 0.00 64.34 60.57 2jwn n VAL 44 Cb 0.62 -1.44 -0.03 0.00 -1.06 0.00 0.00 33.84 31.93 2jwn n VAL 44 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2jwn s ASP 45 N 0.19 6.38 0.32 6.55 -1.08 -1.26 -3.98 116.67 123.79 2jwn s ASP 45 Ca 0.67 1.99 0.26 0.00 -0.52 0.00 0.00 52.55 54.95 2jwn s ASP 45 Cb -0.65 -2.57 1.07 0.00 -1.46 0.00 0.00 42.92 39.30 2jwn s ASP 45 CO 0.51 -0.76 1.78 0.22 0.52 0.00 0.00 175.17 177.44 2jwn h TYR 46 N 1.77 0.00 0.00 -5.34 5.03 -1.91 -0.96 116.97 115.56 2jwn h TYR 46 Ca -0.49 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.82 2jwn h TYR 46 Cb 1.22 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.50 2jwn h TYR 46 CO 0.56 0.00 -0.08 0.41 -1.32 0.00 0.00 178.16 177.73 2jwn n GLY 47 N 0.04 -1.53 3.67 1.82 0.00 -1.26 -4.77 105.19 103.16 2jwn n GLY 47 Ca 0.02 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.50 6.96 0.45 1.61 0.01 -0.37 -5.01 113.70 113.85 2jwn s SER 48 Ca 0.12 1.80 0.08 0.00 1.31 0.00 0.00 55.95 59.26 2jwn s SER 48 Cb 0.17 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.87 2jwn s SER 48 CO 0.58 -0.70 0.59 0.42 0.41 0.00 0.00 173.24 174.53 2jwn s THR 49 N 2.98 2.78 0.10 1.44 -4.23 -1.26 -4.93 115.64 112.53 2jwn s THR 49 Ca 0.57 -1.04 -0.22 0.00 -1.18 0.00 0.00 61.69 59.81 2jwn s THR 49 Cb -0.24 -2.83 -0.12 0.00 1.34 0.00 0.00 72.50 70.65 2jwn s THR 49 CO 0.19 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 176.00 2jwn h ALA 50 N 0.60 0.01 -0.83 3.99 0.00 -1.99 -0.53 119.26 120.51 2jwn h ALA 50 Ca -0.38 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.60 2jwn h ALA 50 Cb 1.28 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 2jwn h ALA 50 CO 0.46 -0.50 0.51 1.96 0.00 0.00 0.00 179.25 181.68 2jwn h GLN 51 N -0.02 0.93 -0.49 0.00 1.08 -1.98 0.25 115.11 114.87 2jwn h GLN 51 Ca 0.02 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.07 2jwn h GLN 51 Cb 0.05 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 2jwn h GLN 51 CO -0.05 0.61 -0.08 0.22 -0.95 0.00 0.00 178.83 178.58 2jwn h ASP 52 N 0.96 0.93 -0.05 1.46 1.82 -1.87 -1.69 116.42 117.97 2jwn h ASP 52 Ca 0.36 -0.35 -0.03 0.00 -0.39 0.00 0.00 57.03 56.62 2jwn h ASP 52 Cb 0.13 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 39.89 2jwn h ASP 52 CO -0.16 1.06 -0.09 -0.07 -1.61 0.00 0.00 179.24 178.37 2jwn h LEU 53 N 0.78 0.16 -0.11 2.28 3.38 -0.71 -2.74 115.31 118.35 2jwn h LEU 53 Ca 0.13 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2jwn h LEU 53 Cb 0.63 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2jwn h LEU 53 CO 0.04 0.69 0.06 -0.08 0.09 0.00 0.00 178.44 179.24 2jwn h GLU 54 N -0.37 0.12 -0.75 1.13 4.22 -0.52 -0.82 114.58 117.60 2jwn h GLU 54 Ca 0.00 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.47 2jwn h GLU 54 Cb 0.67 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2jwn h GLU 54 CO 0.02 0.08 0.47 0.00 -2.18 0.00 0.00 179.01 177.40 2jwn h ALA 55 N 1.05 0.99 -0.51 2.92 0.00 -1.39 0.19 119.26 122.51 2jwn h ALA 55 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2jwn h ALA 55 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2jwn h ALA 55 CO -0.02 0.25 0.18 1.25 0.00 0.00 0.00 179.25 180.91 2jwn h HIS 56 N 0.90 0.79 0.00 0.00 -0.00 -1.12 -2.43 115.15 113.30 2jwn h HIS 56 Ca 0.31 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.57 2jwn h HIS 56 Cb 0.05 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.22 2jwn h HIS 56 CO -0.04 0.67 -0.27 0.74 -0.00 0.00 0.00 177.93 179.03 2jwn h PHE 57 N 0.68 0.00 0.00 5.26 -1.00 -0.91 -3.28 116.94 117.69 2jwn h PHE 57 Ca 0.17 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.91 2jwn h PHE 57 Cb 0.24 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 2jwn h PHE 57 CO 0.01 0.14 -0.15 0.77 -1.61 0.00 0.00 178.31 177.47 2jwn h SER 58 N 0.00 0.00 -0.09 2.17 0.02 -0.13 -0.03 113.55 115.49 2jwn h SER 58 Ca -0.01 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2jwn h SER 58 Cb 1.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 2jwn h SER 58 CO 0.02 0.15 0.09 0.28 -1.14 0.00 0.00 176.83 176.23 2jwn h SER 59 N 0.00 0.00 0.11 3.07 0.02 -1.58 -1.37 113.55 113.80 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 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2jwn h SER 59 CO 0.02 0.00 -0.15 0.00 -1.14 0.00 0.00 176.83 175.56 2jwn n GLY 61 N 1.28 0.62 3.60 0.00 0.00 -0.52 -4.22 105.19 105.96 2jwn n GLY 61 Ca 0.15 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 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 6.17 -0.03 1.61 0.01 -1.26 -4.27 113.70 111.93 2jwn s SER 62 Ca 0.00 0.19 -0.28 0.00 1.31 0.00 0.00 55.95 57.17 2jwn s SER 62 Cb 0.00 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 2jwn s SER 62 CO 0.00 -0.13 0.90 -0.63 0.41 0.00 0.00 173.24 173.79 2jwn s ILE 63 N 1.92 4.92 -0.15 1.44 1.01 -1.26 -0.39 121.20 128.69 2jwn s ILE 63 Ca 0.12 1.87 0.02 0.00 0.00 0.00 0.00 60.65 62.66 2jwn s ILE 63 Cb -0.16 -4.23 -0.23 0.00 0.01 0.00 0.00 42.46 37.84 2jwn s ILE 63 CO 0.10 0.17 0.26 -3.20 0.00 0.00 0.00 174.94 172.27 2jwn n ASN 64 N 3.97 1.62 -3.61 3.58 5.15 0.80 -4.68 115.26 122.10 2jwn n ASN 64 Ca 0.04 0.15 -0.10 0.00 -0.60 0.00 0.00 54.58 54.06 2jwn n ASN 64 Cb 0.51 -0.40 -0.03 0.00 -0.53 0.00 0.00 39.78 39.32 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2jwn s ARG 65 N -2.55 1.32 -0.04 1.20 0.52 0.17 -4.98 118.95 114.58 2jwn s ARG 65 Ca -0.20 -0.69 -0.03 0.00 -0.52 0.00 0.00 55.73 54.28 2jwn s ARG 65 Cb 0.07 0.55 0.02 0.00 0.52 0.00 0.00 34.95 36.10 2jwn s ARG 65 CO 0.75 -0.56 0.10 0.96 0.02 0.00 0.00 175.30 176.56 2jwn s ILE 66 N -3.82 -0.01 -0.07 1.52 -4.36 -1.26 -0.58 121.20 112.62 2jwn s ILE 66 Ca 0.05 0.04 0.03 0.00 -0.26 0.00 0.00 60.65 60.51 2jwn s ILE 66 Cb -0.01 -0.16 0.01 0.00 1.25 0.00 0.00 42.46 43.55 2jwn s ILE 66 CO -0.08 0.02 -0.15 -0.89 0.24 0.00 0.00 174.94 174.08 2jwn s THR 67 N 0.29 1.37 -0.16 8.37 2.01 0.12 -4.98 115.64 122.66 2jwn s THR 67 Ca -0.02 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.36 2jwn s THR 67 Cb -0.03 -1.22 0.03 0.00 0.01 0.00 0.00 72.50 71.29 2jwn s THR 67 CO -0.01 0.40 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.58 2jwn s ILE 68 N 0.49 1.44 -0.13 1.82 1.01 -1.26 0.18 121.20 124.74 2jwn s ILE 68 Ca -0.14 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2jwn s ILE 68 Cb -0.15 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.89 2jwn s ILE 68 CO 0.05 0.33 -0.20 -1.48 0.00 0.00 0.00 174.94 173.64 2jwn s LEU 69 N 1.52 1.99 -0.11 2.97 2.34 0.26 -4.99 118.68 122.67 2jwn s LEU 69 Ca 0.03 -0.55 0.02 0.00 0.06 0.00 0.00 54.13 53.69 2jwn s LEU 69 Cb -0.14 -1.34 -0.01 0.00 -0.56 0.00 0.00 46.19 44.15 2jwn s LEU 69 CO -0.09 0.07 -0.17 0.00 -1.06 0.00 0.00 176.35 175.09 2jwn s ASP 71 N 0.28 3.75 -0.05 0.00 -4.77 -0.93 -4.90 116.67 110.06 2jwn s ASP 71 Ca -0.13 -0.31 0.12 0.00 -3.30 0.00 0.00 52.55 48.94 2jwn s ASP 71 Cb -0.16 -0.95 0.37 0.00 -1.09 0.00 0.00 42.92 41.09 2jwn s ASP 71 CO 0.07 0.29 1.30 0.29 0.70 0.00 0.00 175.17 177.82 2jwn n LYS 72 N 2.68 2.91 0.00 2.11 5.02 -1.26 -0.01 118.16 129.60 2jwn n LYS 72 Ca -0.17 -2.26 0.09 0.00 -2.02 0.00 0.00 58.31 53.94 2jwn n LYS 72 Cb 0.52 -1.42 0.39 0.00 -0.02 0.00 0.00 35.03 34.50 2jwn n LYS 72 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2jwn n PHE 73 N 0.28 0.00 0.42 2.13 1.16 -1.26 -0.77 117.46 119.41 2jwn n PHE 73 Ca 0.14 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.81 2jwn n PHE 73 Cb 0.55 -0.50 0.25 0.00 -1.61 0.00 0.00 39.48 38.17 2jwn n PHE 73 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2jwn n SER 74 N -1.50 2.76 0.00 5.98 7.64 -1.26 -4.94 113.62 122.30 2jwn n SER 74 Ca 0.04 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.96 2jwn n SER 74 Cb 0.21 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2jwn n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jwn n GLY 75 N 1.34 1.53 3.74 0.23 0.00 0.05 -4.84 105.19 107.24 2jwn n GLY 75 Ca 0.18 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 3.49 -0.09 1.61 3.76 -1.26 -4.90 115.29 117.90 2jwn s HIS 76 Ca 0.00 0.66 -0.29 0.00 -0.15 0.00 0.00 55.06 55.27 2jwn s HIS 76 Cb 0.00 -2.35 -0.05 0.00 1.11 0.00 0.00 32.58 31.29 2jwn s HIS 76 CO 0.00 0.28 1.70 -1.25 -0.85 0.00 0.00 174.74 174.62 2jwn s PRO 77 N 0.31 4.04 0.00 8.40 0.04 -1.25 -4.58 135.00 141.96 2jwn s PRO 77 Ca 0.18 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2jwn s PRO 77 Cb -0.13 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2jwn s PRO 77 CO 0.05 -1.02 0.00 1.63 0.04 0.00 0.00 177.00 177.70 2jwn n LYS 78 N 7.36 1.13 -3.63 4.56 5.02 0.98 -4.88 118.16 128.70 2jwn n LYS 78 Ca 0.18 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.35 2jwn n LYS 78 Cb 0.43 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.37 2jwn n LYS 78 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2jwn s GLY 79 N -1.93 -0.39 -0.11 0.72 0.00 -1.26 -2.18 107.32 102.17 2jwn s GLY 79 Ca 0.00 2.29 -0.15 0.00 0.00 0.00 0.00 44.72 46.85 2jwn s GLY 79 CO 0.00 1.80 0.39 -2.52 0.00 0.00 0.00 173.10 172.76 2jwn s TYR 80 N 0.35 -0.38 0.09 1.90 1.13 0.13 -2.00 117.35 118.58 2jwn s TYR 80 Ca 0.01 0.85 0.05 0.00 -1.41 0.00 0.00 57.07 56.57 2jwn s TYR 80 Cb -0.05 0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 40.93 2jwn s TYR 80 CO -0.02 -0.28 -0.14 0.00 -2.51 0.00 0.00 175.55 172.60 2jwn s ALA 81 N -0.29 1.32 -0.21 9.51 0.00 0.19 -0.57 121.76 131.70 2jwn s ALA 81 Ca -0.04 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.80 2jwn s ALA 81 Cb -0.03 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.04 2jwn s ALA 81 CO 0.02 0.14 -0.16 0.71 0.00 0.00 0.00 175.76 176.47 2jwn s TYR 82 N -1.66 2.94 -0.26 0.00 2.02 0.13 0.79 117.35 121.31 2jwn s TYR 82 Ca 0.03 -1.91 -0.10 0.00 -0.37 0.00 0.00 57.07 54.72 2jwn s TYR 82 Cb -0.08 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 2jwn s TYR 82 CO 0.02 -0.83 0.15 0.42 -1.57 0.00 0.00 175.55 173.74 2jwn s ILE 83 N 1.23 5.05 -0.22 2.71 -1.09 -0.78 0.14 121.20 128.23 2jwn s ILE 83 Ca -0.01 0.08 -0.07 0.00 -2.23 0.00 0.00 60.65 58.42 2jwn s ILE 83 Cb -0.16 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 2jwn s ILE 83 CO -0.09 0.30 0.06 -1.61 -1.23 0.00 0.00 174.94 172.36 2jwn s GLU 84 N 1.55 3.72 0.28 2.79 2.02 0.25 -1.02 118.70 128.29 2jwn s GLU 84 Ca 0.07 -0.46 -0.02 0.00 0.02 0.00 0.00 54.97 54.58 2jwn s GLU 84 Cb -0.15 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 2jwn s GLU 84 CO 0.08 -0.05 0.50 -0.06 0.02 0.00 0.00 175.26 175.75 2jwn s PHE 85 N 1.23 3.49 0.11 1.61 0.08 0.19 -0.14 117.98 124.53 2jwn s PHE 85 Ca 0.04 0.44 -0.06 0.00 0.12 0.00 0.00 56.93 57.47 2jwn s PHE 85 Cb -0.14 -1.95 -0.17 0.00 -0.57 0.00 0.00 43.02 40.19 2jwn s PHE 85 CO 0.03 0.22 1.24 0.00 -0.10 0.00 0.00 175.22 176.60 2jwn h ALA 86 N 1.43 0.25 -3.01 5.36 0.00 -0.99 -3.41 119.26 118.88 2jwn h ALA 86 Ca -0.49 -0.76 -0.65 0.00 0.00 0.00 0.00 54.91 53.02 2jwn h ALA 86 Cb 1.20 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2jwn h ALA 86 CO 0.65 0.83 -0.55 -1.21 0.00 0.00 0.00 179.25 178.96 2jwn s GLU 87 N -3.09 3.17 0.19 0.00 8.01 -1.26 -4.99 118.70 120.73 2jwn s GLU 87 Ca -0.06 -0.45 0.04 0.00 0.01 0.00 0.00 54.97 54.51 2jwn s GLU 87 Cb 0.08 -2.92 0.09 0.00 -4.31 0.00 0.00 34.13 27.06 2jwn s GLU 87 CO 0.88 0.65 1.45 -0.09 0.01 0.00 0.00 175.26 178.15 2jwn h ARG 88 N 3.90 0.18 -0.15 1.61 1.12 -1.91 -2.96 114.38 116.17 2jwn h ARG 88 Ca -0.49 -0.17 -0.00 0.00 -1.11 0.00 0.00 59.98 58.21 2jwn h ARG 88 Cb 1.18 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.18 2jwn h ARG 88 CO 0.65 0.87 0.07 -0.91 -3.11 0.00 0.00 179.97 177.54 2jwn h ASN 89 N 0.11 0.17 -0.41 -3.80 4.21 -1.96 -0.87 115.58 113.04 2jwn h ASN 89 Ca -0.03 -0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.41 2jwn h ASN 89 Cb 1.37 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 38.50 2jwn h ASN 89 CO 0.12 0.15 0.05 0.28 -1.29 0.00 0.00 177.43 176.74 2jwn h SER 90 N 0.20 0.73 -0.37 5.81 0.02 -1.69 -2.43 113.55 115.82 2jwn h SER 90 Ca 0.05 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 2jwn h SER 90 Cb 0.02 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2jwn h SER 90 CO -0.01 0.76 -0.20 -0.37 -1.14 0.00 0.00 176.83 175.88 2jwn h VAL 91 N 0.73 1.27 -0.68 2.27 -1.51 -1.25 -1.25 116.25 115.83 2jwn h VAL 91 Ca 0.15 -1.32 0.05 0.00 -1.23 0.00 0.00 66.70 64.34 2jwn h VAL 91 Cb 0.37 1.15 -0.04 0.00 -2.13 0.00 0.00 31.29 30.63 2jwn h VAL 91 CO 0.01 0.45 0.45 0.44 -1.23 0.00 0.00 177.57 177.69 2jwn h ASP 92 N 0.75 0.66 0.43 4.19 3.32 -1.28 0.27 116.42 124.77 2jwn h ASP 92 Ca 0.11 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 2jwn h ASP 92 Cb 0.73 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2jwn h ASP 92 CO 0.06 0.45 -0.70 0.00 -1.72 0.00 0.00 179.24 177.33 2jwn h ALA 93 N 1.62 0.74 0.03 3.45 0.00 -0.98 -3.30 119.26 120.81 2jwn h ALA 93 Ca 0.28 -0.60 -0.26 0.00 0.00 0.00 0.00 54.91 54.33 2jwn h ALA 93 Cb 0.15 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.89 2jwn h ALA 93 CO -0.08 0.79 -1.03 0.00 0.00 0.00 0.00 179.25 178.93 2jwn h ALA 94 N 1.12 0.09 -0.08 0.00 0.00 0.04 -3.20 119.26 117.22 2jwn h ALA 94 Ca -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 54.91 54.22 2jwn h ALA 94 Cb 1.24 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2jwn h ALA 94 CO 0.11 0.64 0.23 -0.39 0.00 0.00 0.00 179.25 179.83 2jwn h VAL 95 N 0.30 0.15 0.00 0.00 -1.51 -0.62 0.94 116.25 115.51 2jwn h VAL 95 Ca -0.14 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 2jwn h VAL 95 Cb 1.70 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2jwn h VAL 95 CO 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.54 2jwn n ALA 96 N -2.08 1.42 0.08 5.19 0.00 -1.21 -1.03 120.51 122.87 2jwn n ALA 96 Ca -0.01 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.67 2jwn n ALA 96 Cb 0.31 -1.35 0.28 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.20 2.50 -0.32 0.00 2.81 0.33 -4.69 117.12 115.55 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 0.15 -1.51 0.05 0.00 -0.71 0.00 0.00 33.22 31.19 2jwn n MET 97 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2jwn n ASP 98 N 1.42 -0.50 -4.07 7.83 5.75 -0.20 -3.38 116.55 123.40 2jwn n ASP 98 Ca 0.21 1.44 -0.32 0.00 -0.01 0.00 0.00 54.79 56.11 2jwn n ASP 98 Cb 0.57 -0.35 -0.15 0.00 -1.03 0.00 0.00 41.12 40.17 2jwn n ASP 98 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2jwn s GLU 99 N -5.83 2.00 0.28 0.11 2.12 -1.26 -2.18 118.70 113.95 2jwn s GLU 99 Ca -0.12 -1.54 -0.09 0.00 0.36 0.00 0.00 54.97 53.59 2jwn s GLU 99 Cb 0.18 -3.08 -0.00 0.00 0.26 0.00 0.00 34.13 31.49 2jwn s GLU 99 CO 0.60 -0.73 0.46 -0.08 -0.54 0.00 0.00 175.26 174.98 2jwn s THR 100 N 1.06 0.00 -0.14 -1.70 -1.32 -1.22 -5.01 115.64 107.31 2jwn s THR 100 Ca -0.01 -1.49 -0.03 0.00 -1.21 0.00 0.00 61.69 58.94 2jwn s THR 100 Cb -0.20 -2.40 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 2jwn s THR 100 CO -0.05 0.00 -0.03 0.54 -2.21 0.00 0.00 174.62 172.86 2jwn s VAL 101 N -3.64 3.93 -0.13 5.08 0.11 -1.26 -0.76 120.40 123.73 2jwn s VAL 101 Ca 0.26 -0.35 -0.03 0.00 -2.93 0.00 0.00 61.98 58.92 2jwn s VAL 101 Cb -0.00 -2.71 0.05 0.00 -1.53 0.00 0.00 36.38 32.19 2jwn s VAL 101 CO 0.13 0.51 0.06 0.12 -3.33 0.00 0.00 175.10 172.59 2jwn s PHE 102 N 0.11 0.39 -1.45 1.54 5.36 0.20 -4.79 117.98 119.34 2jwn s PHE 102 Ca -0.01 -0.27 -0.04 0.00 -0.96 0.00 0.00 56.93 55.66 2jwn s PHE 102 Cb -0.14 -0.72 0.02 0.00 -0.34 0.00 0.00 43.02 41.84 2jwn s PHE 102 CO 0.03 -0.43 0.36 0.54 -1.46 0.00 0.00 175.22 174.25 2jwn n ARG 103 N 5.22 -3.48 0.00 10.12 1.74 -1.26 -1.25 116.66 127.75 2jwn n ARG 103 Ca -0.06 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 2jwn n ARG 103 Cb 0.49 -5.53 0.00 0.00 -1.02 0.00 0.00 32.46 26.40 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 -1.22 1.82 3.89 -0.13 0.00 -1.26 -5.02 105.19 103.26 2jwn n GLY 104 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2jwn n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jwn s ARG 105 N -0.40 3.48 -0.25 1.61 0.52 -0.38 -5.05 118.95 118.47 2jwn s ARG 105 Ca 0.00 -0.19 -0.23 0.00 -0.52 0.00 0.00 55.73 54.78 2jwn s ARG 105 Cb 0.00 -3.12 -0.01 0.00 0.52 0.00 0.00 34.95 32.34 2jwn s ARG 105 CO 0.00 0.70 0.77 0.99 0.02 0.00 0.00 175.30 177.78 2jwn s THR 106 N -1.22 4.87 0.44 0.02 2.01 -1.26 0.60 115.64 121.10 2jwn s THR 106 Ca 0.24 1.41 0.08 0.00 0.31 0.00 0.00 61.69 63.73 2jwn s THR 106 Cb -0.13 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.33 2jwn s THR 106 CO 0.14 -0.06 0.55 0.27 -0.69 0.00 0.00 174.62 174.82 2jwn s ILE 107 N 2.76 2.76 -0.09 1.82 -4.36 0.06 -4.77 121.20 119.39 2jwn s ILE 107 Ca 0.32 -1.10 0.01 0.00 -0.26 0.00 0.00 60.65 59.63 2jwn s ILE 107 Cb -0.15 -2.86 0.02 0.00 1.25 0.00 0.00 42.46 40.71 2jwn s ILE 107 CO 0.08 0.00 -0.12 -0.75 0.24 0.00 0.00 174.94 174.39 2jwn s LYS 108 N -4.33 1.81 -0.25 0.37 2.47 -1.08 -3.56 119.74 115.17 2jwn s LYS 108 Ca 0.53 -0.42 -0.02 0.00 -1.56 0.00 0.00 55.97 54.51 2jwn s LYS 108 Cb -0.08 -1.60 0.02 0.00 -1.46 0.00 0.00 37.83 34.72 2jwn s LYS 108 CO 0.32 -0.08 -0.05 0.08 0.16 0.00 0.00 175.35 175.79 2jwn s VAL 109 N 1.04 3.01 -0.03 4.02 1.01 -0.93 -0.17 120.40 128.36 2jwn s VAL 109 Ca -0.07 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 2jwn s VAL 109 Cb -0.15 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.74 2jwn s VAL 109 CO -0.01 0.20 0.02 -0.22 0.00 0.00 0.00 175.10 175.09 2jwn s LEU 110 N 1.35 1.00 0.06 3.92 0.20 0.31 -4.32 118.68 121.21 2jwn s LEU 110 Ca 0.01 0.01 -0.31 0.00 0.69 0.00 0.00 54.13 54.53 2jwn s LEU 110 Cb -0.16 -0.16 -0.07 0.00 -0.43 0.00 0.00 46.19 45.37 2jwn s LEU 110 CO -0.04 -0.13 1.40 -2.84 -0.29 0.00 0.00 176.35 174.46 2jwn s PRO 111 N 1.19 4.30 0.00 0.98 0.02 -1.26 0.12 135.00 140.36 2jwn s PRO 111 Ca -0.07 2.03 0.29 0.00 0.02 0.00 0.00 61.00 63.27 2jwn s PRO 111 Cb -0.13 -3.41 1.41 0.00 0.02 0.00 0.00 34.50 32.39 2jwn s PRO 111 CO -0.02 -0.50 2.00 1.17 -0.33 0.00 0.00 177.00 179.31 2jwn n LYS 112 N 4.64 0.29 -0.01 5.54 0.00 0.09 -1.74 118.16 126.97 2jwn n LYS 112 Ca 0.12 0.01 -0.14 0.00 0.00 0.00 0.00 58.31 58.30 2jwn n LYS 112 Cb 0.43 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.82 2jwn n LYS 112 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2jwn n ARG 113 N -1.35 0.68 -0.05 1.64 0.00 -1.26 -4.54 116.66 111.79 2jwn n ARG 113 Ca 0.12 0.29 -0.19 0.00 -0.00 0.00 0.00 57.85 58.07 2jwn n ARG 113 Cb 0.27 -1.77 -0.13 0.00 0.00 0.00 0.00 32.46 30.83 2jwn n ARG 113 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2jwn h THR 114 N 0.03 1.33 -3.82 5.15 2.02 -1.73 -3.45 112.91 112.44 2jwn h THR 114 Ca -0.34 -2.34 -0.66 0.00 0.77 0.00 0.00 66.41 63.85 2jwn h THR 114 Cb 2.02 2.88 -0.37 0.00 -1.74 0.00 0.00 68.15 70.94 2jwn h THR 114 CO 0.09 0.56 -0.80 0.21 0.37 0.00 0.00 175.52 175.95 2jwn s ASN 115 N -6.69 4.32 -0.24 4.18 3.84 -0.71 -4.97 114.94 114.68 2jwn s ASN 115 Ca -0.21 -1.35 0.00 0.00 0.21 0.00 0.00 52.86 51.51 2jwn s ASN 115 Cb 0.02 -1.48 0.06 0.00 -0.55 0.00 0.00 41.25 39.31 2jwn s ASN 115 CO 0.70 -0.20 -0.02 -0.04 -2.79 0.00 0.00 177.10 174.75 2jwn s MET 116 N 1.16 1.38 0.71 0.43 -1.94 -1.26 -4.68 119.30 115.10 2jwn s MET 116 Ca -0.08 -0.93 -0.11 0.00 -1.71 0.00 0.00 55.69 52.85 2jwn s MET 116 Cb -0.20 -2.49 0.02 0.00 2.01 0.00 0.00 34.83 34.17 2jwn s MET 116 CO -0.05 -0.65 1.09 -1.25 -0.01 0.00 0.00 175.02 174.15 2jwn s PRO 117 N 1.47 2.84 0.00 2.03 0.04 -1.26 -2.85 135.00 137.27 2jwn s PRO 117 Ca -0.03 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.54 2jwn s PRO 117 Cb -0.18 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2jwn s PRO 117 CO -0.08 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.30 2jwn n GLY 118 N -2.81 0.51 3.71 0.56 0.00 -1.24 -4.87 105.19 101.05 2jwn n GLY 118 Ca 0.07 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 2jwn n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jwn s ILE 119 N -3.85 4.24 -0.66 -0.61 -1.09 -1.26 -4.79 121.20 113.19 2jwn s ILE 119 Ca 0.00 -0.70 -0.26 0.00 -2.23 0.00 0.00 60.65 57.46 2jwn s ILE 119 Cb 0.00 -2.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.87 2jwn s ILE 119 CO 0.00 0.27 2.10 -0.44 -1.23 0.00 0.00 174.94 175.64 2jwn s SER 120 N -1.89 4.84 -0.67 3.58 0.01 -1.26 -4.46 113.70 113.85 2jwn s SER 120 Ca 0.23 0.32 0.05 0.00 1.31 0.00 0.00 55.95 57.86 2jwn s SER 120 Cb -0.12 -2.53 0.20 0.00 0.21 0.00 0.00 66.02 63.78 2jwn s SER 120 CO 0.14 -2.78 0.57 -1.20 0.41 0.00 0.00 173.24 170.39 2jwn n SER 121 N 14.62 3.08 -3.15 2.44 7.64 -1.26 -4.91 113.62 132.08 2jwn n SER 121 Ca 0.32 -3.25 -0.14 0.00 1.01 0.00 0.00 58.87 56.81 2jwn n SER 121 Cb 0.51 -0.72 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 2jwn n SER 121 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jwn s THR 122 N -1.73 -0.40 -0.11 0.44 2.01 -1.26 -4.67 115.64 109.92 2jwn s THR 122 Ca 0.30 -1.46 -0.30 0.00 0.31 0.00 0.00 61.69 60.54 2jwn s THR 122 Cb 0.02 -0.57 0.08 0.00 0.01 0.00 0.00 72.50 72.04 2jwn s THR 122 CO -0.12 -0.55 0.73 1.51 -0.69 0.00 0.00 174.62 175.50 2jwn s ASP 123 N 0.82 -0.64 0.00 3.53 -4.77 -1.26 -5.01 116.67 109.34 2jwn s ASP 123 Ca 0.27 0.82 0.00 0.00 -3.30 0.00 0.00 52.55 50.33 2jwn s ASP 123 Cb -0.03 0.68 0.00 0.00 -1.09 0.00 0.00 42.92 42.48 2jwn s ASP 123 CO -0.09 -0.51 0.12 -1.14 0.70 0.00 0.00 175.17 174.25