#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 4.99 -0.03 0.00 -4.36 -1.26 -4.92 121.20 115.61 2jwn s ILE 2 Ca 0.00 -0.09 -0.02 0.00 -0.26 0.00 0.00 60.65 60.28 2jwn s ILE 2 Cb 0.00 -4.09 0.02 0.00 1.25 0.00 0.00 42.46 39.64 2jwn s ILE 2 CO 0.00 -0.45 0.07 0.00 0.24 0.00 0.00 174.94 174.80 2jwn s ALA 3 N 2.41 -0.14 -0.27 2.27 0.00 -1.26 -5.10 121.76 119.68 2jwn s ALA 3 Ca 0.17 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 52.15 2jwn s ALA 3 Cb -0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2jwn s ALA 3 CO 0.15 -0.07 2.14 -2.14 0.00 0.00 0.00 175.76 175.84 2jwn s PRO 4 N 0.45 3.09 -0.01 0.00 0.02 -1.26 -4.77 135.00 132.53 2jwn s PRO 4 Ca -0.03 1.83 0.02 0.00 0.02 0.00 0.00 61.00 62.84 2jwn s PRO 4 Cb -0.05 -4.35 0.04 0.00 0.02 0.00 0.00 34.50 30.16 2jwn s PRO 4 CO -0.02 -2.15 1.03 0.00 -0.33 0.00 0.00 177.00 175.54 2jwn s MET 6 N -1.11 3.49 -0.24 0.00 0.23 -1.26 -5.07 119.30 115.34 2jwn s MET 6 Ca 0.04 -0.42 -0.02 0.00 -1.03 0.00 0.00 55.69 54.26 2jwn s MET 6 Cb 0.03 -2.91 0.07 0.00 -1.53 0.00 0.00 34.83 30.49 2jwn s MET 6 CO 0.01 0.47 0.05 -0.65 -2.03 0.00 0.00 175.02 172.88 2jwn s GLN 7 N -3.14 0.71 0.02 3.16 -0.21 -1.26 -4.97 119.66 113.98 2jwn s GLN 7 Ca 0.37 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 55.08 2jwn s GLN 7 Cb -0.11 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.85 2jwn s GLN 7 CO 0.28 -0.77 0.00 0.25 -2.12 0.00 0.00 175.29 172.93 2jwn n THR 8 N 4.97 -6.99 -1.73 -0.19 -2.24 -1.26 -4.95 114.28 101.90 2jwn n THR 8 Ca -0.07 1.40 -0.42 0.00 -2.27 0.00 0.00 64.05 62.69 2jwn n THR 8 Cb 0.45 -4.19 -0.02 0.00 -2.10 0.00 0.00 70.33 64.46 2jwn n THR 8 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2jwn n THR 9 N 0.80 0.70 -2.73 4.28 -1.04 -1.26 -4.95 114.28 110.08 2jwn n THR 9 Ca 0.00 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 2jwn n THR 9 Cb 0.00 -1.89 -0.03 0.00 -1.82 0.00 0.00 70.33 66.59 2jwn n THR 9 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2jwn s HIS 10 N 0.33 3.60 0.86 -1.42 2.46 -1.26 -5.03 115.29 114.83 2jwn s HIS 10 Ca 0.68 1.62 -0.12 0.00 0.47 0.00 0.00 55.06 57.72 2jwn s HIS 10 Cb -0.53 -3.12 0.10 0.00 -0.13 0.00 0.00 32.58 28.91 2jwn s HIS 10 CO 0.44 -0.07 1.11 0.45 -2.47 0.00 0.00 174.74 174.20 2jwn s SER 11 N 1.03 3.97 0.00 9.88 0.15 -1.26 -3.59 113.70 123.87 2jwn s SER 11 Ca 0.49 1.19 0.00 0.00 0.70 0.00 0.00 55.95 58.34 2jwn s SER 11 Cb -0.20 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2jwn s SER 11 CO 0.24 -2.29 0.00 0.29 1.20 0.00 0.00 173.24 172.68 2jwn n LYS 12 N -3.62 0.00 -4.06 5.44 5.02 -1.26 -4.54 118.16 115.14 2jwn n LYS 12 Ca 0.07 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 2jwn n LYS 12 Cb 0.57 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.42 2jwn n LYS 12 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2jwn s MET 13 N 0.00 2.16 0.16 1.97 0.00 -1.26 -5.01 119.30 117.32 2jwn s MET 13 Ca 0.00 -0.51 0.09 0.00 0.00 0.00 0.00 55.69 55.27 2jwn s MET 13 Cb 0.00 -1.99 -0.09 0.00 0.00 0.00 0.00 34.83 32.75 2jwn s MET 13 CO 0.00 -0.22 1.35 1.79 0.00 0.00 0.00 175.02 177.94 2jwn h THR 14 N 6.06 1.57 -3.03 10.11 1.35 -1.80 -3.44 112.91 123.74 2jwn h THR 14 Ca -0.36 -3.10 0.00 0.00 -0.55 0.00 0.00 66.41 62.40 2jwn h THR 14 Cb 1.14 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 2jwn h THR 14 CO 0.50 0.87 0.00 0.00 -0.25 0.00 0.00 175.52 176.64 2jwn n ALA 15 N -2.34 0.00 0.00 6.62 0.00 -1.26 -4.59 120.51 118.93 2jwn n ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jwn n ALA 15 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 2jwn n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jwn n GLY 16 N 3.27 -0.62 0.57 0.00 0.00 -1.26 -5.03 105.19 102.11 2jwn n GLY 16 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 -1.08 -1.99 4.61 0.00 -1.26 -5.03 120.51 115.76 2jwn n ALA 17 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2jwn n ALA 17 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.04 -1.27 -3.46 0.00 4.01 -1.26 -4.83 117.16 108.32 2jwn n TYR 18 Ca -0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 2jwn n TYR 18 Cb 0.19 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 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 -0.50 3.30 -3.37 -0.72 -1.04 -1.26 -4.81 114.28 105.89 2jwn n THR 19 Ca 0.00 -5.31 -0.45 0.00 -2.04 0.00 0.00 64.05 56.25 2jwn n THR 19 Cb 0.00 -2.24 -0.06 0.00 -1.82 0.00 0.00 70.33 66.21 2jwn n THR 19 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2jwn s GLU 20 N -1.98 2.94 6.04 -2.82 1.03 -1.26 -4.99 118.70 117.65 2jwn s GLU 20 Ca 0.32 -1.56 0.00 0.00 0.03 0.00 0.00 54.97 53.76 2jwn s GLU 20 Cb 0.01 -4.19 0.00 0.00 -0.80 0.00 0.00 34.13 29.15 2jwn s GLU 20 CO -0.05 -1.19 0.00 0.41 -1.33 0.00 0.00 175.26 173.10 2jwn n GLY 21 N 5.20 1.17 0.32 -3.83 0.00 -1.26 -4.05 105.19 102.74 2jwn n GLY 21 Ca -0.13 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.36 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 0.72 -6.17 1.61 0.11 -2.01 -3.45 132.00 122.81 2jwn h PRO 22 Ca 0.00 -0.04 -0.59 0.00 0.11 0.00 0.00 66.00 65.48 2jwn h PRO 22 Cb 0.00 -0.16 0.18 0.00 0.11 0.00 0.00 31.00 31.13 2jwn h PRO 22 CO 0.00 0.48 -0.96 -2.30 -0.21 0.00 0.00 178.00 175.01 2jwn n PRO 23 N -4.78 0.15 -2.58 1.05 -0.02 -1.26 -4.90 135.00 122.66 2jwn n PRO 23 Ca 0.17 0.06 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 2jwn n PRO 23 Cb 0.39 -1.23 -0.04 0.00 -0.02 0.00 0.00 33.50 32.59 2jwn n PRO 23 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2jwn s GLN 24 N -1.47 4.66 0.22 -0.52 -1.52 -1.26 -4.70 119.66 115.06 2jwn s GLN 24 Ca 0.59 1.65 -0.31 0.00 -1.95 0.00 0.00 55.36 55.34 2jwn s GLN 24 Cb -0.45 -3.28 -0.11 0.00 -0.22 0.00 0.00 33.01 28.95 2jwn s GLN 24 CO 0.64 0.19 1.57 -1.25 -0.25 0.00 0.00 175.29 176.19 2jwn s PRO 25 N -0.56 4.19 0.44 2.91 0.04 -1.26 -4.74 135.00 136.02 2jwn s PRO 25 Ca 0.47 2.44 0.06 0.00 0.04 0.00 0.00 61.00 64.01 2jwn s PRO 25 Cb -0.28 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 2jwn s PRO 25 CO 0.34 -0.60 0.12 -0.48 0.04 0.00 0.00 177.00 176.43 2jwn s LEU 26 N 0.47 2.86 0.43 -3.56 -0.00 -1.26 -5.08 118.68 112.55 2jwn s LEU 26 Ca 0.67 -1.28 -0.23 0.00 -0.00 0.00 0.00 54.13 53.29 2jwn s LEU 26 Cb -0.45 -1.13 -0.08 0.00 -0.00 0.00 0.00 46.19 44.52 2jwn s LEU 26 CO 0.37 -0.62 1.09 -0.55 -0.00 0.00 0.00 176.35 176.64 2jwn s SER 27 N -3.88 6.49 0.45 1.48 0.15 -1.26 -4.89 113.70 112.24 2jwn s SER 27 Ca 0.32 2.11 0.26 0.00 0.70 0.00 0.00 55.95 59.34 2jwn s SER 27 Cb 0.05 -2.59 1.30 0.00 -1.71 0.00 0.00 66.02 63.07 2jwn s SER 27 CO 0.18 -0.68 1.77 0.00 1.20 0.00 0.00 173.24 175.70 2jwn h ALA 28 N 2.19 2.60 -0.30 5.45 0.00 -1.98 0.63 119.26 127.86 2jwn h ALA 28 Ca -0.49 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jwn h ALA 28 Cb 1.23 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2jwn h ALA 28 CO 0.61 -1.01 0.19 1.49 0.00 0.00 0.00 179.25 180.54 2jwn h GLU 29 N 0.22 0.38 -0.62 0.00 4.57 -1.98 0.10 114.58 117.26 2jwn h GLU 29 Ca 0.61 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.71 2jwn h GLU 29 Cb 1.89 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 30.36 2jwn h GLU 29 CO -0.21 0.25 0.19 0.93 -1.18 0.00 0.00 179.01 179.00 2jwn h GLU 30 N 0.40 0.97 -0.73 1.92 3.07 -1.28 0.33 114.58 119.26 2jwn h GLU 30 Ca 0.11 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 2jwn h GLU 30 Cb -0.04 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.70 2jwn h GLU 30 CO -0.03 0.86 0.42 0.87 -1.40 0.00 0.00 179.01 179.73 2jwn h LYS 31 N 0.89 1.00 -0.24 2.33 1.57 -0.77 0.11 116.57 121.45 2jwn h LYS 31 Ca 0.20 -0.10 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 2jwn h LYS 31 Cb 0.29 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2jwn h LYS 31 CO -0.01 0.72 -0.52 -0.22 -0.57 0.00 0.00 179.45 178.85 2jwn h LYS 32 N 0.99 0.69 -0.18 3.15 3.11 -0.61 -2.48 116.57 121.25 2jwn h LYS 32 Ca 0.26 -0.42 -0.11 0.00 -2.81 0.00 0.00 60.65 57.57 2jwn h LYS 32 Cb -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 2jwn h LYS 32 CO -0.05 1.04 -0.31 0.93 -2.81 0.00 0.00 179.45 178.25 2jwn h GLU 33 N 0.54 0.53 -0.28 1.90 4.39 -0.35 -3.02 114.58 118.28 2jwn h GLU 33 Ca 0.02 -0.33 -0.10 0.00 0.34 0.00 0.00 59.36 59.29 2jwn h GLU 33 Cb 1.09 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2jwn h GLU 33 CO 0.11 0.93 -0.25 -0.84 -1.16 0.00 0.00 179.01 177.80 2jwn h ILE 34 N 0.17 1.27 0.00 3.13 3.07 -1.03 -2.05 117.51 122.07 2jwn h ILE 34 Ca 0.01 -1.28 -0.04 0.00 1.55 0.00 0.00 64.86 65.10 2jwn h ILE 34 Cb 0.90 1.32 -0.01 0.00 -0.27 0.00 0.00 36.82 38.77 2jwn h ILE 34 CO 0.07 0.41 -0.18 -0.78 -1.05 0.00 0.00 178.15 176.62 2jwn h ASP 35 N 0.47 0.00 0.74 2.16 3.58 -1.49 -2.07 116.42 119.82 2jwn h ASP 35 Ca 0.07 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.31 2jwn h ASP 35 Cb 0.68 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2jwn h ASP 35 CO 0.05 0.18 -0.97 0.11 -2.88 0.00 0.00 179.24 175.73 2jwn h LYS 36 N 0.00 0.13 -0.56 0.28 1.57 -1.25 -3.31 116.57 113.44 2jwn h LYS 36 Ca -0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2jwn h LYS 36 Cb 0.58 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2jwn h LYS 36 CO 0.02 1.00 0.00 0.54 -0.57 0.00 0.00 179.45 180.44 2jwn n ARG 37 N -3.54 2.38 -4.01 3.15 1.74 -0.81 -4.61 116.66 110.97 2jwn n ARG 37 Ca -0.03 -1.98 -0.24 0.00 -0.77 0.00 0.00 57.85 54.83 2jwn n ARG 37 Cb 0.88 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.79 2jwn n ARG 37 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jwn s SER 38 N -0.97 4.58 0.10 0.55 1.04 -1.03 -0.57 113.70 117.41 2jwn s SER 38 Ca 0.37 -0.97 0.02 0.00 0.48 0.00 0.00 55.95 55.84 2jwn s SER 38 Cb 0.20 -0.53 -0.04 0.00 0.10 0.00 0.00 66.02 65.75 2jwn s SER 38 CO 0.24 -0.54 -0.07 0.68 0.98 0.00 0.00 173.24 174.53 2jwn s VAL 39 N -2.55 0.73 -0.26 5.02 -7.23 -0.34 -1.34 120.40 114.43 2jwn s VAL 39 Ca 0.42 -1.83 -0.12 0.00 -1.81 0.00 0.00 61.98 58.64 2jwn s VAL 39 Cb 0.02 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 2jwn s VAL 39 CO 0.24 -0.79 0.22 -0.47 -0.31 0.00 0.00 175.10 173.99 2jwn s TYR 40 N -3.28 3.26 -0.26 2.82 5.04 0.91 -2.23 117.35 123.60 2jwn s TYR 40 Ca 0.09 0.22 -0.02 0.00 -2.44 0.00 0.00 57.07 54.93 2jwn s TYR 40 Cb 0.03 -2.39 0.03 0.00 0.35 0.00 0.00 41.96 39.99 2jwn s TYR 40 CO -0.03 -0.10 -0.04 0.08 -1.34 0.00 0.00 175.55 174.12 2jwn s VAL 41 N 1.58 2.91 0.42 3.14 1.01 0.15 -1.13 120.40 128.48 2jwn s VAL 41 Ca 0.09 -1.14 0.07 0.00 0.00 0.00 0.00 61.98 61.01 2jwn s VAL 41 Cb -0.15 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 2jwn s VAL 41 CO 0.09 0.10 0.29 -0.83 0.00 0.00 0.00 175.10 174.75 2jwn s GLY 42 N 1.30 2.24 -1.22 4.51 0.00 0.75 0.10 107.32 115.00 2jwn s GLY 42 Ca -0.02 -1.98 0.00 0.00 0.00 0.00 0.00 44.72 42.73 2jwn s GLY 42 CO -0.03 -1.81 0.00 -2.01 0.00 0.00 0.00 173.10 169.25 2jwn n ASN 43 N -1.41 -4.34 -4.45 1.64 5.15 -1.14 -2.62 115.26 108.10 2jwn n ASN 43 Ca 0.01 0.25 -0.44 0.00 -0.60 0.00 0.00 54.58 53.81 2jwn n ASN 43 Cb 0.63 -2.98 -0.05 0.00 -0.53 0.00 0.00 39.78 36.85 2jwn n ASN 43 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2jwn s VAL 44 N -2.46 4.67 0.62 3.44 0.11 -0.78 -4.88 120.40 121.12 2jwn s VAL 44 Ca 0.00 -0.40 -0.05 0.00 -2.93 0.00 0.00 61.98 58.60 2jwn s VAL 44 Cb 0.00 -4.45 0.03 0.00 -1.53 0.00 0.00 36.38 30.43 2jwn s VAL 44 CO 0.00 -1.04 0.92 -1.81 -3.33 0.00 0.00 175.10 169.84 2jwn s ASP 45 N 3.06 5.34 0.15 3.54 1.11 -1.26 -2.41 116.67 126.18 2jwn s ASP 45 Ca 0.19 0.57 -0.34 0.00 0.18 0.00 0.00 52.55 53.14 2jwn s ASP 45 Cb -0.18 -1.46 -0.15 0.00 1.07 0.00 0.00 42.92 42.20 2jwn s ASP 45 CO 0.12 -1.22 1.36 -1.22 1.18 0.00 0.00 175.17 175.39 2jwn n TYR 46 N -2.65 1.73 0.00 4.23 4.01 -1.26 -3.18 117.16 120.03 2jwn n TYR 46 Ca 0.06 0.54 0.00 0.00 -0.16 0.00 0.00 57.90 58.33 2jwn n TYR 46 Cb 0.59 -2.38 0.00 0.00 -0.31 0.00 0.00 39.34 37.23 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 2.55 4.14 3.73 2.72 0.00 -1.26 -5.09 105.19 111.97 2jwn n GLY 47 Ca 0.16 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.02 7.18 0.40 1.61 0.01 -1.19 -5.04 113.70 116.66 2jwn s SER 48 Ca 0.00 1.42 0.01 0.00 1.31 0.00 0.00 55.95 58.69 2jwn s SER 48 Cb 0.00 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 2jwn s SER 48 CO 0.00 -0.09 0.61 0.42 0.41 0.00 0.00 173.24 174.59 2jwn s THR 49 N 0.48 4.41 0.16 1.44 -4.23 -1.26 -4.99 115.64 111.65 2jwn s THR 49 Ca 0.42 -0.51 -0.12 0.00 -1.18 0.00 0.00 61.69 60.30 2jwn s THR 49 Cb -0.20 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.06 2jwn s THR 49 CO 0.23 -0.41 1.62 0.00 -0.54 0.00 0.00 174.62 175.52 2jwn h ALA 50 N 0.56 0.71 -0.69 3.99 0.00 -1.99 -1.61 119.26 120.24 2jwn h ALA 50 Ca -0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 2jwn h ALA 50 Cb 1.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2jwn h ALA 50 CO 0.58 0.51 0.39 -0.56 0.00 0.00 0.00 179.25 180.17 2jwn h GLN 51 N 0.80 0.94 0.00 0.00 -0.00 -1.99 0.03 115.11 114.88 2jwn h GLN 51 Ca 0.15 -0.09 -0.12 0.00 -0.00 0.00 0.00 58.65 58.59 2jwn h GLN 51 Cb 0.49 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.48 27.76 2jwn h GLN 51 CO 0.02 0.68 -0.56 0.38 -0.00 0.00 0.00 178.83 179.36 2jwn h ASP 52 N 0.95 0.00 -0.31 0.06 3.04 -1.90 -1.88 116.42 116.39 2jwn h ASP 52 Ca 0.25 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 54.02 2jwn h ASP 52 Cb -0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 2jwn h ASP 52 CO -0.04 0.56 0.14 -0.07 -2.04 0.00 0.00 179.24 177.79 2jwn h LEU 53 N 0.00 0.41 -0.32 0.15 3.38 -0.48 -2.66 115.31 115.80 2jwn h LEU 53 Ca -0.01 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2jwn h LEU 53 Cb 1.11 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2jwn h LEU 53 CO 0.07 0.43 0.16 -0.33 0.09 0.00 0.00 178.44 178.86 2jwn h GLU 54 N 0.36 0.32 -0.46 1.13 5.08 -0.73 -1.90 114.58 118.37 2jwn h GLU 54 Ca 0.10 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 2jwn h GLU 54 Cb 0.14 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 2jwn h GLU 54 CO -0.01 0.21 0.12 0.00 -1.00 0.00 0.00 179.01 178.32 2jwn h ALA 55 N 1.17 0.53 -0.52 3.43 0.00 -1.19 0.95 119.26 123.62 2jwn h ALA 55 Ca 0.13 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jwn h ALA 55 Cb 0.05 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jwn h ALA 55 CO -0.09 -0.28 0.16 1.25 0.00 0.00 0.00 179.25 180.29 2jwn h HIS 56 N 0.26 0.85 0.00 0.00 -0.00 -1.37 -3.10 115.15 111.79 2jwn h HIS 56 Ca 0.23 -0.09 -0.13 0.00 -0.00 0.00 0.00 60.37 60.38 2jwn h HIS 56 Cb 0.27 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.42 2jwn h HIS 56 CO -0.20 0.73 -0.78 0.74 -0.00 0.00 0.00 177.93 178.42 2jwn h PHE 57 N 0.72 0.00 0.00 5.26 0.04 -0.49 -3.33 116.94 119.13 2jwn h PHE 57 Ca 0.17 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 2jwn h PHE 57 Cb 0.28 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 2jwn h PHE 57 CO 0.02 0.56 -0.40 0.77 -0.60 0.00 0.00 178.31 178.66 2jwn h SER 58 N 0.00 0.00 -0.04 2.17 0.02 0.97 -0.25 113.55 116.41 2jwn h SER 58 Ca -0.05 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2jwn h SER 58 Cb 1.47 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.01 2jwn h SER 58 CO 0.07 0.40 0.04 0.28 -1.14 0.00 0.00 176.83 176.48 2jwn h SER 59 N 0.00 0.00 -0.49 3.07 0.02 -1.66 -2.16 113.55 112.34 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 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2jwn h SER 59 CO 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.74 2jwn n GLY 61 N 1.03 -0.02 3.53 0.00 0.00 -0.81 -4.25 105.19 104.66 2jwn n GLY 61 Ca 0.17 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 5.97 -0.07 1.61 0.01 -1.26 -4.12 113.70 115.83 2jwn s SER 62 Ca 0.00 -0.34 -0.26 0.00 1.31 0.00 0.00 55.95 56.65 2jwn s SER 62 Cb 0.00 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 2jwn s SER 62 CO 0.00 -0.19 0.83 -0.63 0.41 0.00 0.00 173.24 173.66 2jwn s ILE 63 N 1.71 4.94 -0.14 1.44 1.01 -1.26 -0.71 121.20 128.20 2jwn s ILE 63 Ca 0.06 1.70 -0.17 0.00 0.00 0.00 0.00 60.65 62.24 2jwn s ILE 63 Cb -0.17 -4.16 -0.25 0.00 0.01 0.00 0.00 42.46 37.89 2jwn s ILE 63 CO 0.10 0.16 0.45 0.78 0.00 0.00 0.00 174.94 176.43 2jwn h ASN 64 N 6.92 0.24 -5.02 3.58 2.35 -0.80 -3.46 115.58 119.40 2jwn h ASN 64 Ca -0.38 -0.78 0.03 0.00 -0.55 0.00 0.00 56.30 54.62 2jwn h ASN 64 Cb 1.19 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 39.40 2jwn h ASN 64 CO 0.78 1.57 0.19 -0.13 -1.65 0.00 0.00 177.43 178.18 2jwn s ARG 65 N -2.43 1.56 -0.07 0.81 0.52 -1.19 -5.04 118.95 113.11 2jwn s ARG 65 Ca -0.23 -0.81 -0.08 0.00 -0.52 0.00 0.00 55.73 54.10 2jwn s ARG 65 Cb 0.05 0.59 0.02 0.00 0.52 0.00 0.00 34.95 36.12 2jwn s ARG 65 CO 0.71 -0.70 0.22 0.96 0.02 0.00 0.00 175.30 176.51 2jwn s ILE 66 N -3.86 0.01 -0.11 1.52 -4.36 -1.26 -1.00 121.20 112.14 2jwn s ILE 66 Ca 0.08 -0.12 0.02 0.00 -0.26 0.00 0.00 60.65 60.36 2jwn s ILE 66 Cb -0.04 -0.35 0.01 0.00 1.25 0.00 0.00 42.46 43.34 2jwn s ILE 66 CO -0.01 -0.07 -0.15 -0.89 0.24 0.00 0.00 174.94 174.06 2jwn s THR 67 N -0.17 1.49 -0.21 8.37 2.01 0.33 -4.99 115.64 122.47 2jwn s THR 67 Ca -0.03 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.35 2jwn s THR 67 Cb -0.03 -1.36 0.04 0.00 0.01 0.00 0.00 72.50 71.16 2jwn s THR 67 CO 0.01 0.44 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.59 2jwn s ILE 68 N 0.99 2.06 -0.10 1.82 1.09 -1.26 0.29 121.20 126.08 2jwn s ILE 68 Ca -0.07 -1.20 0.03 0.00 -1.10 0.00 0.00 60.65 58.32 2jwn s ILE 68 Cb -0.15 -1.99 0.00 0.00 -1.06 0.00 0.00 42.46 39.26 2jwn s ILE 68 CO -0.02 0.30 -0.22 -1.48 -0.10 0.00 0.00 174.94 173.42 2jwn s LEU 69 N 1.23 2.03 -0.08 2.97 2.34 0.15 -4.99 118.68 122.33 2jwn s LEU 69 Ca -0.01 -0.54 0.04 0.00 0.06 0.00 0.00 54.13 53.68 2jwn s LEU 69 Cb -0.16 -1.35 -0.01 0.00 -0.56 0.00 0.00 46.19 44.11 2jwn s LEU 69 CO -0.10 0.13 -0.20 0.00 -1.06 0.00 0.00 176.35 175.12 2jwn s ASP 71 N -0.02 3.43 -0.04 0.00 1.47 0.03 -4.91 116.67 116.64 2jwn s ASP 71 Ca -0.06 -0.52 0.11 0.00 1.18 0.00 0.00 52.55 53.26 2jwn s ASP 71 Cb -0.15 -0.42 0.32 0.00 -0.34 0.00 0.00 42.92 42.33 2jwn s ASP 71 CO 0.05 0.26 1.27 0.29 0.68 0.00 0.00 175.17 177.71 2jwn n LYS 72 N 1.71 2.87 0.29 2.11 5.02 -1.26 -0.42 118.16 128.48 2jwn n LYS 72 Ca -0.17 -2.17 0.18 0.00 -2.02 0.00 0.00 58.31 54.14 2jwn n LYS 72 Cb 0.52 -1.36 0.84 0.00 -0.02 0.00 0.00 35.03 35.01 2jwn n LYS 72 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2jwn h PHE 73 N 1.80 0.00 -0.09 2.13 0.04 -1.95 -0.73 116.94 118.14 2jwn h PHE 73 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2jwn h PHE 73 Cb 0.85 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.00 2jwn h PHE 73 CO 0.26 0.02 0.00 0.45 -0.60 0.00 0.00 178.31 178.45 2jwn n SER 74 N -3.16 1.04 0.00 2.17 2.88 -1.26 -4.89 113.62 110.40 2jwn n SER 74 Ca -0.01 -1.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.96 2jwn n SER 74 Cb 0.24 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 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 1.01 1.86 3.89 0.46 0.00 -0.28 -4.91 105.19 107.22 2jwn n GLY 75 Ca 0.16 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.20 3.54 -0.25 1.61 3.76 -1.26 -4.97 115.29 117.51 2jwn s HIS 76 Ca 0.00 0.55 -0.29 0.00 -0.15 0.00 0.00 55.06 55.17 2jwn s HIS 76 Cb 0.00 -1.98 -0.00 0.00 1.11 0.00 0.00 32.58 31.70 2jwn s HIS 76 CO 0.00 0.54 1.30 -1.25 -0.85 0.00 0.00 174.74 174.48 2jwn s PRO 77 N -2.17 4.01 0.20 8.40 0.05 -1.26 -4.35 135.00 139.88 2jwn s PRO 77 Ca 0.34 1.39 0.07 0.00 0.05 0.00 0.00 61.00 62.84 2jwn s PRO 77 Cb -0.13 -3.85 -0.04 0.00 0.05 0.00 0.00 34.50 30.53 2jwn s PRO 77 CO 0.21 -1.00 0.10 0.15 0.05 0.00 0.00 177.00 176.51 2jwn s LYS 78 N 3.98 2.70 0.02 4.56 1.02 0.44 -4.73 119.74 127.72 2jwn s LYS 78 Ca 0.56 -1.06 0.02 0.00 0.02 0.00 0.00 55.97 55.51 2jwn s LYS 78 Cb -0.18 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 2jwn s LYS 78 CO 0.21 0.44 -0.06 0.20 -0.92 0.00 0.00 175.35 175.21 2jwn s GLY 79 N -3.34 0.36 -0.05 -3.33 0.00 -1.01 -0.79 107.32 99.16 2jwn s GLY 79 Ca 0.31 -0.49 -0.08 0.00 0.00 0.00 0.00 44.72 44.45 2jwn s GLY 79 CO 0.22 -0.50 0.21 -2.52 0.00 0.00 0.00 173.10 170.51 2jwn s TYR 80 N -0.78 -0.17 0.03 1.90 1.13 -0.25 -1.86 117.35 117.35 2jwn s TYR 80 Ca -0.05 0.38 0.05 0.00 -1.41 0.00 0.00 57.07 56.04 2jwn s TYR 80 Cb -0.06 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.83 2jwn s TYR 80 CO 0.00 -0.19 -0.14 0.00 -2.51 0.00 0.00 175.55 172.71 2jwn s ALA 81 N -0.41 1.14 -0.24 9.51 0.00 0.11 -0.67 121.76 131.20 2jwn s ALA 81 Ca -0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 2jwn s ALA 81 Cb -0.03 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.91 2jwn s ALA 81 CO 0.01 0.23 -0.08 0.71 0.00 0.00 0.00 175.76 176.63 2jwn s TYR 82 N -0.72 3.05 -0.29 0.00 2.02 0.15 0.34 117.35 121.90 2jwn s TYR 82 Ca 0.02 -1.59 -0.11 0.00 -0.37 0.00 0.00 57.07 55.02 2jwn s TYR 82 Cb -0.07 -2.04 -0.05 0.00 -0.40 0.00 0.00 41.96 39.40 2jwn s TYR 82 CO 0.01 -0.74 0.20 0.42 -1.57 0.00 0.00 175.55 173.87 2jwn s ILE 83 N 1.31 5.30 -0.27 2.71 -1.09 -0.95 -0.52 121.20 127.70 2jwn s ILE 83 Ca 0.00 0.14 -0.14 0.00 -2.23 0.00 0.00 60.65 58.42 2jwn s ILE 83 Cb -0.16 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 2jwn s ILE 83 CO -0.05 0.22 0.35 -1.61 -1.23 0.00 0.00 174.94 172.62 2jwn s GLU 84 N 1.77 4.01 0.12 2.79 2.02 -0.17 -1.19 118.70 128.04 2jwn s GLU 84 Ca 0.07 -0.00 0.01 0.00 0.02 0.00 0.00 54.97 55.07 2jwn s GLU 84 Cb -0.16 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 2jwn s GLU 84 CO 0.11 -0.27 0.27 -0.06 0.02 0.00 0.00 175.26 175.33 2jwn s PHE 85 N 2.04 3.50 0.27 1.61 0.08 0.27 -0.10 117.98 125.64 2jwn s PHE 85 Ca 0.14 0.19 -0.02 0.00 0.12 0.00 0.00 56.93 57.36 2jwn s PHE 85 Cb -0.16 -1.72 0.37 0.00 -0.57 0.00 0.00 43.02 40.94 2jwn s PHE 85 CO 0.10 0.53 1.80 0.00 -0.10 0.00 0.00 175.22 177.55 2jwn h ALA 86 N 2.46 1.17 -4.01 5.36 0.00 -1.18 -3.43 119.26 119.63 2jwn h ALA 86 Ca -0.47 -0.22 -0.69 0.00 0.00 0.00 0.00 54.91 53.53 2jwn h ALA 86 Cb 1.18 -0.22 -0.23 0.00 0.00 0.00 0.00 17.79 18.53 2jwn h ALA 86 CO 0.71 0.56 -0.82 -1.21 0.00 0.00 0.00 179.25 178.49 2jwn s GLU 87 N -5.16 1.99 0.39 0.00 0.41 -1.26 -4.76 118.70 110.31 2jwn s GLU 87 Ca -0.10 -1.02 0.08 0.00 -0.41 0.00 0.00 54.97 53.52 2jwn s GLU 87 Cb 0.15 -2.14 0.81 0.00 -1.78 0.00 0.00 34.13 31.17 2jwn s GLU 87 CO 0.81 0.53 1.98 0.00 -0.49 0.00 0.00 175.26 178.08 2jwn h ARG 88 N 4.52 0.39 -0.20 1.61 2.47 -1.87 -2.12 114.38 119.18 2jwn h ARG 88 Ca -0.48 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.15 2jwn h ARG 88 Cb 1.15 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.39 2jwn h ARG 88 CO 0.47 0.38 -0.02 -0.91 0.56 0.00 0.00 179.97 180.45 2jwn h ASN 89 N 0.39 0.27 -0.23 7.04 4.21 -1.97 -1.85 115.58 123.43 2jwn h ASN 89 Ca 0.09 -0.04 -0.11 0.00 1.21 0.00 0.00 56.30 57.45 2jwn h ASN 89 Cb 0.18 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 2jwn h ASN 89 CO -0.00 0.34 -0.24 0.28 -1.29 0.00 0.00 177.43 176.52 2jwn h SER 90 N 0.29 0.72 -0.62 5.81 0.02 -1.62 -2.63 113.55 115.52 2jwn h SER 90 Ca 0.07 -0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.69 2jwn h SER 90 Cb 0.23 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2jwn h SER 90 CO 0.01 0.93 0.11 -0.37 -1.14 0.00 0.00 176.83 176.37 2jwn h VAL 91 N 0.62 1.26 -0.63 2.27 -1.51 -1.31 -0.41 116.25 116.54 2jwn h VAL 91 Ca 0.09 -1.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 2jwn h VAL 91 Cb 0.73 0.65 -0.03 0.00 -2.13 0.00 0.00 31.29 30.51 2jwn h VAL 91 CO 0.06 0.38 0.40 0.44 -1.23 0.00 0.00 177.57 177.62 2jwn h ASP 92 N 0.98 0.73 0.14 4.19 3.32 -1.25 0.31 116.42 124.83 2jwn h ASP 92 Ca 0.20 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.02 2jwn h ASP 92 Cb 0.42 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2jwn h ASP 92 CO 0.01 0.54 -0.77 0.00 -1.72 0.00 0.00 179.24 177.30 2jwn h ALA 93 N 1.59 0.48 -0.08 3.45 0.00 -1.06 -3.22 119.26 120.41 2jwn h ALA 93 Ca 0.23 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 2jwn h ALA 93 Cb -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2jwn h ALA 93 CO -0.05 0.74 -0.35 0.00 0.00 0.00 0.00 179.25 179.60 2jwn h ALA 94 N 0.79 0.16 -0.07 0.00 0.00 -0.21 -3.12 119.26 116.81 2jwn h ALA 94 Ca -0.04 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2jwn h ALA 94 Cb 1.37 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2jwn h ALA 94 CO 0.14 0.23 0.25 -0.39 0.00 0.00 0.00 179.25 179.47 2jwn h VAL 95 N -0.08 0.12 0.00 0.00 -1.51 -0.50 0.17 116.25 114.44 2jwn h VAL 95 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 2jwn h VAL 95 Cb 0.99 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2jwn h VAL 95 CO 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.41 2jwn h ALA 96 N 1.58 1.00 -0.57 5.19 0.00 -1.55 -0.82 119.26 124.09 2jwn h ALA 96 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jwn h ALA 96 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jwn h ALA 96 CO -0.00 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 2jwn n MET 97 N -2.93 2.38 -0.33 0.00 2.81 0.59 -4.57 117.12 115.07 2jwn n MET 97 Ca -0.01 -2.14 0.24 0.00 -1.81 0.00 0.00 57.70 53.99 2jwn n MET 97 Cb 0.20 -1.47 0.47 0.00 -0.71 0.00 0.00 33.22 31.71 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 3.55 0.19 -3.21 7.83 2.03 -1.24 -2.73 116.42 122.83 2jwn h ASP 98 Ca 0.00 0.24 -0.74 0.00 -0.73 0.00 0.00 57.03 55.79 2jwn h ASP 98 Cb 0.81 0.27 -0.25 0.00 -0.83 0.00 0.00 39.33 39.33 2jwn h ASP 98 CO 0.00 -0.31 -0.30 -0.70 -1.03 0.00 0.00 179.24 176.89 2jwn s GLU 99 N -5.69 2.83 0.01 4.15 2.12 -1.26 -3.34 118.70 117.52 2jwn s GLU 99 Ca -0.10 -1.63 -0.01 0.00 0.36 0.00 0.00 54.97 53.59 2jwn s GLU 99 Cb 0.31 -4.13 -0.01 0.00 0.26 0.00 0.00 34.13 30.56 2jwn s GLU 99 CO 0.78 -1.20 -0.00 0.95 -0.54 0.00 0.00 175.26 175.24 2jwn s THR 100 N 1.54 0.09 -0.55 -1.70 -4.23 -1.03 -5.02 115.64 104.73 2jwn s THR 100 Ca 0.04 -0.73 -0.02 0.00 -1.18 0.00 0.00 61.69 59.80 2jwn s THR 100 Cb -0.27 -0.24 0.14 0.00 1.34 0.00 0.00 72.50 73.47 2jwn s THR 100 CO 0.03 -0.40 0.35 0.54 -0.54 0.00 0.00 174.62 174.60 2jwn s VAL 101 N -1.20 3.46 -0.15 2.29 0.11 -1.26 -0.58 120.40 123.08 2jwn s VAL 101 Ca -0.13 -2.75 -0.02 0.00 -2.93 0.00 0.00 61.98 56.15 2jwn s VAL 101 Cb -0.08 -3.30 -0.02 0.00 -1.53 0.00 0.00 36.38 31.45 2jwn s VAL 101 CO -0.01 -0.82 -0.09 0.12 -3.33 0.00 0.00 175.10 170.98 2jwn s PHE 102 N 0.25 2.89 -1.57 1.54 5.36 -0.06 -4.35 117.98 122.04 2jwn s PHE 102 Ca 0.15 -0.58 -0.03 0.00 -0.96 0.00 0.00 56.93 55.51 2jwn s PHE 102 Cb -0.21 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 2jwn s PHE 102 CO -0.03 -0.20 0.36 -2.13 -1.46 0.00 0.00 175.22 171.76 2jwn n ARG 103 N 3.67 -3.49 -0.71 10.12 0.63 -1.26 -2.34 116.66 123.28 2jwn n ARG 103 Ca -0.18 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 2jwn n ARG 103 Cb 0.52 -5.61 0.00 0.00 0.45 0.00 0.00 32.46 27.82 2jwn n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jwn n GLY 104 N -1.31 1.30 3.52 5.14 0.00 -1.26 -5.00 105.19 107.58 2jwn n GLY 104 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.09 2.52 -0.25 1.61 1.70 -0.99 -5.04 118.95 118.41 2jwn s ARG 105 Ca 0.00 -0.69 -0.26 0.00 -0.47 0.00 0.00 55.73 54.31 2jwn s ARG 105 Cb 0.00 -2.43 -0.00 0.00 -0.57 0.00 0.00 34.95 31.95 2jwn s ARG 105 CO 0.00 0.62 0.89 0.99 -1.08 0.00 0.00 175.30 176.72 2jwn s THR 106 N -0.81 4.78 0.46 4.99 2.01 -1.26 -0.88 115.64 124.93 2jwn s THR 106 Ca 0.13 1.66 0.08 0.00 0.31 0.00 0.00 61.69 63.87 2jwn s THR 106 Cb -0.11 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.25 2jwn s THR 106 CO 0.02 -0.12 0.57 0.27 -0.69 0.00 0.00 174.62 174.67 2jwn s ILE 107 N 2.96 2.70 -0.04 1.82 -4.36 0.26 -4.82 121.20 119.72 2jwn s ILE 107 Ca 0.37 -1.08 0.02 0.00 -0.26 0.00 0.00 60.65 59.70 2jwn s ILE 107 Cb -0.15 -2.78 0.01 0.00 1.25 0.00 0.00 42.46 40.79 2jwn s ILE 107 CO 0.08 0.00 -0.07 -0.75 0.24 0.00 0.00 174.94 174.43 2jwn s LYS 108 N -4.37 0.99 -0.11 0.37 2.47 -1.08 -3.83 119.74 114.19 2jwn s LYS 108 Ca 0.54 -0.22 0.01 0.00 -1.56 0.00 0.00 55.97 54.74 2jwn s LYS 108 Cb -0.07 -0.92 0.02 0.00 -1.46 0.00 0.00 37.83 35.40 2jwn s LYS 108 CO 0.33 0.01 -0.11 0.54 0.16 0.00 0.00 175.35 176.28 2jwn s VAL 109 N 0.58 1.18 0.00 4.02 0.11 -1.21 -0.18 120.40 124.90 2jwn s VAL 109 Ca -0.09 -0.42 -0.03 0.00 -2.93 0.00 0.00 61.98 58.51 2jwn s VAL 109 Cb -0.12 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.59 2jwn s VAL 109 CO 0.01 0.38 0.05 -1.48 -3.33 0.00 0.00 175.10 170.73 2jwn s LEU 110 N 1.33 1.88 0.14 2.54 -0.00 -0.28 -4.32 118.68 119.97 2jwn s LEU 110 Ca -0.01 -0.21 -0.31 0.00 -0.00 0.00 0.00 54.13 53.59 2jwn s LEU 110 Cb -0.14 0.31 -0.08 0.00 -0.00 0.00 0.00 46.19 46.28 2jwn s LEU 110 CO -0.05 -0.23 1.38 -2.16 -0.00 0.00 0.00 176.35 175.29 2jwn s PRO 111 N -0.96 4.33 0.53 1.48 0.04 -1.26 -0.06 135.00 139.09 2jwn s PRO 111 Ca -0.11 2.09 -0.18 0.00 0.04 0.00 0.00 61.00 62.84 2jwn s PRO 111 Cb -0.06 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 31.18 2jwn s PRO 111 CO 0.00 -0.41 1.03 0.15 0.04 0.00 0.00 177.00 177.81 2jwn s LYS 112 N 0.82 3.67 -0.01 4.56 1.02 -0.45 -4.83 119.74 124.52 2jwn s LYS 112 Ca 0.63 1.19 -0.29 0.00 0.02 0.00 0.00 55.97 57.52 2jwn s LYS 112 Cb -0.37 -2.08 0.10 0.00 -0.52 0.00 0.00 37.83 34.96 2jwn s LYS 112 CO 0.32 -0.52 0.93 -0.98 -0.92 0.00 0.00 175.35 174.18 2jwn s ARG 113 N -3.75 0.80 -1.06 1.68 1.70 -1.24 -4.32 118.95 112.75 2jwn s ARG 113 Ca 0.64 -0.31 0.00 0.00 -0.47 0.00 0.00 55.73 55.59 2jwn s ARG 113 Cb -0.14 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 2jwn s ARG 113 CO 0.29 -0.35 0.00 2.41 -1.08 0.00 0.00 175.30 176.57 2jwn n THR 114 N -0.25 0.00 -3.53 4.99 -1.04 -1.26 -4.99 114.28 108.20 2jwn n THR 114 Ca -0.08 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.55 2jwn n THR 114 Cb 0.61 -1.22 -0.09 0.00 -1.82 0.00 0.00 70.33 67.81 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 -2.74 6.18 -0.41 8.00 2.47 -1.26 -5.02 114.94 122.16 2jwn s ASN 115 Ca 0.00 0.20 0.03 0.00 0.42 0.00 0.00 52.86 53.51 2jwn s ASN 115 Cb 0.00 -2.16 0.11 0.00 -1.45 0.00 0.00 41.25 37.76 2jwn s ASN 115 CO 0.00 -0.05 0.15 -0.32 -3.72 0.00 0.00 177.10 173.16 2jwn s MET 116 N 1.53 1.51 -0.20 0.43 -2.45 -1.26 -4.75 119.30 114.11 2jwn s MET 116 Ca 0.11 -2.03 -0.29 0.00 -1.25 0.00 0.00 55.69 52.23 2jwn s MET 116 Cb -0.15 -2.96 -0.06 0.00 1.25 0.00 0.00 34.83 32.91 2jwn s MET 116 CO 0.08 -1.03 2.19 -2.30 1.05 0.00 0.00 175.02 175.01 2jwn n PRO 117 N 3.86 1.97 0.00 4.11 -0.02 -1.26 -4.38 135.00 139.27 2jwn n PRO 117 Ca 0.04 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2jwn n PRO 117 Cb 0.38 -3.11 0.00 0.00 -0.02 0.00 0.00 33.50 30.74 2jwn n PRO 117 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jwn n GLY 118 N 5.69 0.00 3.64 -1.23 0.00 -1.26 -4.93 105.19 107.10 2jwn n GLY 118 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2jwn n GLY 118 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jwn n ILE 119 N -0.02 0.00 -3.17 -0.61 -0.00 -1.26 -3.62 119.36 110.69 2jwn n ILE 119 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 62.71 2jwn n ILE 119 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2jwn n ILE 119 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2jwn n SER 120 N 0.00 -7.36 -4.43 4.38 7.64 -1.26 -4.93 113.62 107.66 2jwn n SER 120 Ca 0.00 -0.23 -0.44 0.00 1.01 0.00 0.00 58.87 59.21 2jwn n SER 120 Cb 0.00 -4.86 -0.05 0.00 -1.01 0.00 0.00 64.21 58.29 2jwn n SER 120 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jwn s SER 121 N -3.03 6.22 0.10 6.43 0.01 -1.24 -4.73 113.70 117.46 2jwn s SER 121 Ca 0.03 -1.04 0.23 0.00 1.31 0.00 0.00 55.95 56.49 2jwn s SER 121 Cb -0.01 -2.32 0.06 0.00 0.21 0.00 0.00 66.02 63.97 2jwn s SER 121 CO 0.77 -1.03 1.05 0.41 0.41 0.00 0.00 173.24 174.84 2jwn n THR 122 N 5.67 0.33 -1.71 1.44 -1.04 -1.26 -4.94 114.28 112.77 2jwn n THR 122 Ca -0.07 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.05 61.16 2jwn n THR 122 Cb 0.45 -0.04 -0.03 0.00 -1.82 0.00 0.00 70.33 68.88 2jwn n THR 122 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2jwn n ASP 123 N -2.23 3.99 -0.05 8.00 2.03 -1.26 -5.33 116.55 121.70 2jwn n ASP 123 Ca 0.01 1.04 0.01 0.00 0.52 0.00 0.00 54.79 56.37 2jwn n ASP 123 Cb 0.48 -1.56 0.01 0.00 -0.72 0.00 0.00 41.12 39.33 2jwn n ASP 123 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82