#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 5.29 -0.37 0.00 -1.09 -1.26 -5.01 121.20 118.76 2jwn s ILE 2 Ca 0.00 0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.57 2jwn s ILE 2 Cb 0.00 -3.59 0.15 0.00 -1.58 0.00 0.00 42.46 37.45 2jwn s ILE 2 CO 0.00 0.18 0.35 0.00 -1.23 0.00 0.00 174.94 174.24 2jwn s ALA 3 N 1.78 -0.06 -1.70 9.38 0.00 -1.26 -4.98 121.76 124.92 2jwn s ALA 3 Ca 0.08 -1.27 0.06 0.00 0.00 0.00 0.00 51.96 50.82 2jwn s ALA 3 Cb -0.16 -1.95 0.19 0.00 0.00 0.00 0.00 23.12 21.20 2jwn s ALA 3 CO 0.11 -2.14 1.07 -0.35 0.00 0.00 0.00 175.76 174.45 2jwn n PRO 4 N 4.06 1.62 -2.18 0.00 -0.05 -1.26 -4.94 135.00 132.24 2jwn n PRO 4 Ca 0.13 -0.76 -0.00 0.00 -0.05 0.00 0.00 63.50 62.82 2jwn n PRO 4 Cb 0.44 -1.29 -0.00 0.00 -0.05 0.00 0.00 33.50 32.59 2jwn n PRO 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2jwn s MET 6 N -0.92 2.38 -0.90 0.00 -1.94 -1.26 -5.06 119.30 111.59 2jwn s MET 6 Ca -0.01 -0.64 -0.25 0.00 -1.71 0.00 0.00 55.69 53.08 2jwn s MET 6 Cb 0.00 -1.87 0.04 0.00 2.01 0.00 0.00 34.83 35.01 2jwn s MET 6 CO 0.45 0.09 1.42 -0.65 -0.01 0.00 0.00 175.02 176.32 2jwn s GLN 7 N 0.55 3.38 0.00 2.03 1.11 -1.26 -4.81 119.66 120.65 2jwn s GLN 7 Ca -0.16 -0.72 0.17 0.00 0.01 0.00 0.00 55.36 54.66 2jwn s GLN 7 Cb -0.17 -4.90 1.00 0.00 -1.01 0.00 0.00 33.01 27.93 2jwn s GLN 7 CO 0.06 -2.25 1.59 0.25 0.01 0.00 0.00 175.29 174.95 2jwn n THR 8 N 6.76 0.00 -2.52 -0.19 -2.24 -1.26 -4.72 114.28 110.11 2jwn n THR 8 Ca 0.22 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.58 2jwn n THR 8 Cb 0.50 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 2jwn n THR 8 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jwn s THR 9 N -2.00 4.38 -0.11 4.28 -1.32 -1.26 -4.99 115.64 114.61 2jwn s THR 9 Ca 0.25 1.69 -0.02 0.00 -1.21 0.00 0.00 61.69 62.41 2jwn s THR 9 Cb 0.12 -4.09 0.04 0.00 -1.51 0.00 0.00 72.50 67.06 2jwn s THR 9 CO 0.19 0.04 0.01 -2.28 -2.21 0.00 0.00 174.62 170.38 2jwn s HIS 10 N 1.81 0.77 0.00 9.09 2.46 -1.26 -5.04 115.29 123.11 2jwn s HIS 10 Ca 0.55 -0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.70 2jwn s HIS 10 Cb -0.24 -0.87 0.00 0.00 -0.13 0.00 0.00 32.58 31.34 2jwn s HIS 10 CO 0.23 -0.42 0.00 0.45 -2.47 0.00 0.00 174.74 172.53 2jwn n SER 11 N 5.12 0.00 -3.11 9.88 2.88 -1.26 -5.04 113.62 122.09 2jwn n SER 11 Ca -0.08 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.45 2jwn n SER 11 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2jwn n SER 11 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2jwn n LYS 12 N 0.00 -0.90 -1.35 -1.46 0.00 -1.26 -4.54 118.16 108.65 2jwn n LYS 12 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 58.31 59.47 2jwn n LYS 12 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 35.03 33.20 2jwn n LYS 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2jwn n MET 13 N 1.14 0.00 0.13 1.64 2.81 -1.26 -5.01 117.12 116.57 2jwn n MET 13 Ca -0.00 0.45 -0.02 0.00 -1.81 0.00 0.00 57.70 56.32 2jwn n MET 13 Cb 0.41 -1.35 0.17 0.00 -0.71 0.00 0.00 33.22 31.75 2jwn n MET 13 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2jwn h THR 14 N 0.00 1.42 -2.36 2.03 2.02 -1.82 -3.50 112.91 110.71 2jwn h THR 14 Ca 0.00 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.16 2jwn h THR 14 Cb 0.39 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2jwn h THR 14 CO 0.00 0.58 -0.54 0.00 0.37 0.00 0.00 175.52 175.93 2jwn n ALA 15 N -2.44 -2.46 0.00 6.16 0.00 -1.20 -4.88 120.51 115.69 2jwn n ALA 15 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2jwn n ALA 15 Cb 0.60 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.16 2.20 0.00 0.00 0.00 -0.99 -4.12 105.19 102.44 2jwn n GLY 16 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.52 -0.25 -3.15 4.61 0.00 -1.26 -4.86 120.51 115.08 2jwn n ALA 17 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2jwn n ALA 17 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2jwn n ALA 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2jwn s TYR 18 N -1.95 -0.75 -0.30 0.00 5.04 -1.26 -4.93 117.35 113.19 2jwn s TYR 18 Ca 0.00 0.81 -0.15 0.00 -2.44 0.00 0.00 57.07 55.29 2jwn s TYR 18 Cb 0.00 0.27 0.17 0.00 0.35 0.00 0.00 41.96 42.75 2jwn s TYR 18 CO 0.00 -0.41 1.00 0.99 -1.34 0.00 0.00 175.55 175.78 2jwn s THR 19 N 2.92 -0.49 -1.92 4.34 2.01 -1.26 -4.68 115.64 116.57 2jwn s THR 19 Ca 0.03 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.03 2jwn s THR 19 Cb -0.11 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.40 2jwn s THR 19 CO -0.13 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.18 2jwn n GLU 20 N 4.96 -1.62 0.00 4.92 1.02 -1.26 -3.54 120.64 125.12 2jwn n GLU 20 Ca -0.09 1.08 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 2jwn n GLU 20 Cb 0.53 -5.65 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 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 -0.81 1.81 0.23 0.62 0.00 -1.26 -4.37 105.19 101.41 2jwn n GLY 21 Ca -0.23 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.25 2jwn n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jwn h PRO 22 N 0.00 0.00 -7.16 1.61 0.13 -1.89 -3.38 132.00 121.31 2jwn h PRO 22 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 2jwn h PRO 22 Cb 0.00 0.00 0.21 0.00 0.13 0.00 0.00 31.00 31.34 2jwn h PRO 22 CO 0.00 0.21 0.04 -2.14 -0.23 0.00 0.00 178.00 175.88 2jwn s PRO 23 N -4.21 -0.67 0.36 1.56 0.02 -1.23 -2.34 135.00 128.48 2jwn s PRO 23 Ca -0.03 0.98 -0.28 0.00 0.02 0.00 0.00 61.00 61.69 2jwn s PRO 23 Cb 0.14 -1.57 -0.11 0.00 0.02 0.00 0.00 34.50 32.98 2jwn s PRO 23 CO 0.65 -3.60 1.43 -0.65 -0.33 0.00 0.00 177.00 174.49 2jwn s GLN 24 N -4.47 4.19 0.06 5.54 -1.52 -1.26 -4.01 119.66 118.19 2jwn s GLN 24 Ca 0.68 2.46 -0.30 0.00 -1.95 0.00 0.00 55.36 56.25 2jwn s GLN 24 Cb -0.25 -3.00 -0.04 0.00 -0.22 0.00 0.00 33.01 29.50 2jwn s GLN 24 CO 0.64 -0.43 0.97 -1.25 -0.25 0.00 0.00 175.29 174.97 2jwn s PRO 25 N -2.00 4.63 0.01 2.91 0.04 -1.26 -4.70 135.00 134.63 2jwn s PRO 25 Ca 0.52 1.43 0.01 0.00 0.04 0.00 0.00 61.00 63.00 2jwn s PRO 25 Cb -0.44 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 30.67 2jwn s PRO 25 CO 0.60 0.08 -0.04 -0.48 0.04 0.00 0.00 177.00 177.20 2jwn s LEU 26 N 0.50 2.07 0.69 -3.56 -0.00 -1.26 -5.05 118.68 112.07 2jwn s LEU 26 Ca 0.49 -0.19 -0.15 0.00 -0.00 0.00 0.00 54.13 54.29 2jwn s LEU 26 Cb -0.22 -0.15 0.02 0.00 -0.00 0.00 0.00 46.19 45.83 2jwn s LEU 26 CO 0.29 -0.03 1.13 -0.55 -0.00 0.00 0.00 176.35 177.19 2jwn s SER 27 N -0.48 4.80 0.47 1.48 0.15 -1.26 -4.80 113.70 114.06 2jwn s SER 27 Ca -0.02 2.07 0.27 0.00 0.70 0.00 0.00 55.95 58.97 2jwn s SER 27 Cb -0.04 -2.56 1.32 0.00 -1.71 0.00 0.00 66.02 63.03 2jwn s SER 27 CO -0.00 -1.84 1.81 0.00 1.20 0.00 0.00 173.24 174.41 2jwn h ALA 28 N -0.17 2.63 -0.22 5.45 0.00 -2.01 0.16 119.26 125.09 2jwn h ALA 28 Ca -0.47 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 2jwn h ALA 28 Cb 1.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2jwn h ALA 28 CO 0.53 -0.97 -0.22 0.93 0.00 0.00 0.00 179.25 179.51 2jwn h GLU 29 N 0.20 0.40 -0.32 0.00 5.08 -1.99 0.51 114.58 118.47 2jwn h GLU 29 Ca 0.54 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.67 2jwn h GLU 29 Cb 1.76 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 2jwn h GLU 29 CO -0.14 0.61 -0.22 0.93 -1.00 0.00 0.00 179.01 179.19 2jwn h GLU 30 N 0.37 0.62 -0.37 2.33 3.07 -1.09 -2.61 114.58 116.89 2jwn h GLU 30 Ca 0.06 -0.23 -0.03 0.00 -0.50 0.00 0.00 59.36 58.66 2jwn h GLU 30 Cb 0.59 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 2jwn h GLU 30 CO 0.04 0.79 0.13 0.87 -1.40 0.00 0.00 179.01 179.44 2jwn h LYS 31 N 0.55 0.57 -0.41 2.33 1.79 -0.06 -1.86 116.57 119.48 2jwn h LYS 31 Ca 0.08 -0.11 0.05 0.00 -2.18 0.00 0.00 60.65 58.49 2jwn h LYS 31 Cb 0.67 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.19 2jwn h LYS 31 CO 0.05 0.57 0.15 0.87 -1.08 0.00 0.00 179.45 180.01 2jwn h LYS 32 N 0.45 0.31 -0.20 3.15 1.79 0.18 0.22 116.57 122.46 2jwn h LYS 32 Ca 0.12 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 2jwn h LYS 32 Cb 0.22 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2jwn h LYS 32 CO -0.01 0.21 -0.04 0.93 -1.08 0.00 0.00 179.45 179.46 2jwn h GLU 33 N 0.32 0.39 -0.21 3.15 4.39 -1.23 -1.09 114.58 120.29 2jwn h GLU 33 Ca 0.19 -0.14 -0.16 0.00 0.34 0.00 0.00 59.36 59.59 2jwn h GLU 33 Cb 0.17 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2jwn h GLU 33 CO -0.19 0.63 -0.54 -0.84 -1.16 0.00 0.00 179.01 176.91 2jwn h ILE 34 N 0.12 1.31 0.00 3.13 3.07 -1.14 -3.09 117.51 120.91 2jwn h ILE 34 Ca 0.05 -1.77 0.00 0.00 1.55 0.00 0.00 64.86 64.69 2jwn h ILE 34 Cb 0.48 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 2jwn h ILE 34 CO 0.02 0.55 0.00 0.44 -1.05 0.00 0.00 178.15 178.11 2jwn h ASP 35 N 0.47 0.00 0.47 2.16 3.32 -0.48 -2.76 116.42 119.60 2jwn h ASP 35 Ca 0.01 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 2jwn h ASP 35 Cb 1.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 2jwn h ASP 35 CO 0.10 0.00 -0.22 0.11 -1.72 0.00 0.00 179.24 177.51 2jwn h LYS 36 N 0.00 0.00 -0.64 3.56 1.57 -1.11 -2.32 116.57 117.63 2jwn h LYS 36 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jwn h LYS 36 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2jwn h LYS 36 CO 0.00 0.22 0.00 0.54 -0.57 0.00 0.00 179.45 179.64 2jwn n ARG 37 N -3.75 3.59 -3.83 3.15 1.74 -1.04 -4.80 116.66 111.72 2jwn n ARG 37 Ca -0.01 -2.52 -0.21 0.00 -0.77 0.00 0.00 57.85 54.34 2jwn n ARG 37 Cb 0.33 -1.89 -0.03 0.00 -1.02 0.00 0.00 32.46 29.85 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 -0.79 5.69 0.21 0.55 0.01 -0.87 -0.89 113.70 117.60 2jwn s SER 38 Ca 0.45 -0.26 0.04 0.00 1.31 0.00 0.00 55.95 57.48 2jwn s SER 38 Cb 0.30 -1.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.19 2jwn s SER 38 CO 0.20 -0.25 -0.03 0.68 0.41 0.00 0.00 173.24 174.25 2jwn s VAL 39 N -2.18 1.03 -0.18 3.43 -7.23 0.02 -1.01 120.40 114.28 2jwn s VAL 39 Ca 0.39 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2jwn s VAL 39 Cb -0.08 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 2jwn s VAL 39 CO 0.28 -0.44 -0.05 -0.47 -0.31 0.00 0.00 175.10 174.11 2jwn s TYR 40 N -3.42 2.96 -0.27 2.82 5.04 0.20 -1.33 117.35 123.35 2jwn s TYR 40 Ca 0.25 -0.59 -0.01 0.00 -2.44 0.00 0.00 57.07 54.29 2jwn s TYR 40 Cb 0.05 -2.00 0.04 0.00 0.35 0.00 0.00 41.96 40.40 2jwn s TYR 40 CO 0.06 -0.26 -0.04 0.08 -1.34 0.00 0.00 175.55 174.05 2jwn s VAL 41 N 0.81 2.79 0.45 3.14 1.01 0.18 -1.78 120.40 127.00 2jwn s VAL 41 Ca -0.02 -1.29 0.08 0.00 0.00 0.00 0.00 61.98 60.75 2jwn s VAL 41 Cb -0.15 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.70 2jwn s VAL 41 CO 0.02 0.03 0.45 -0.83 0.00 0.00 0.00 175.10 174.76 2jwn s GLY 42 N 1.25 2.10 0.00 4.51 0.00 0.10 -0.14 107.32 115.15 2jwn s GLY 42 Ca -0.04 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.88 2jwn s GLY 42 CO -0.03 -1.70 0.00 -2.01 0.00 0.00 0.00 173.10 169.36 2jwn n ASN 43 N -1.69 0.00 -4.56 1.64 2.85 -1.19 -2.82 115.26 109.49 2jwn n ASN 43 Ca 0.05 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.22 2jwn n ASN 43 Cb 0.62 -0.74 -0.05 0.00 1.24 0.00 0.00 39.78 40.85 2jwn n ASN 43 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2jwn s VAL 44 N -1.79 3.45 0.88 3.44 0.11 -1.20 -4.88 120.40 120.41 2jwn s VAL 44 Ca 0.00 -0.28 -0.12 0.00 -2.93 0.00 0.00 61.98 58.65 2jwn s VAL 44 Cb 0.00 -4.04 0.12 0.00 -1.53 0.00 0.00 36.38 30.93 2jwn s VAL 44 CO 0.00 -0.98 1.12 -1.81 -3.33 0.00 0.00 175.10 170.10 2jwn s ASP 45 N 7.91 3.77 0.46 3.54 1.01 -1.26 -3.25 116.67 128.85 2jwn s ASP 45 Ca 0.68 1.11 0.36 0.00 0.71 0.00 0.00 52.55 55.42 2jwn s ASP 45 Cb -0.07 -1.75 1.52 0.00 1.01 0.00 0.00 42.92 43.62 2jwn s ASP 45 CO 0.03 -2.40 1.52 0.00 0.21 0.00 0.00 175.17 174.53 2jwn n TYR 46 N -3.69 0.51 1.56 4.23 9.36 -1.26 0.04 117.16 127.92 2jwn n TYR 46 Ca 0.07 0.51 0.14 0.00 3.32 0.00 0.00 57.90 61.94 2jwn n TYR 46 Cb 0.58 -0.96 0.62 0.00 -0.63 0.00 0.00 39.34 38.95 2jwn n TYR 46 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2jwn n GLY 47 N -1.61 -0.49 3.73 2.98 0.00 -1.26 -4.87 105.19 103.67 2jwn n GLY 47 Ca 0.40 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.15 7.20 0.31 1.61 0.01 0.11 -5.03 113.70 115.76 2jwn s SER 48 Ca 0.37 2.04 -0.04 0.00 1.31 0.00 0.00 55.95 59.63 2jwn s SER 48 Cb 0.21 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 2jwn s SER 48 CO 0.39 -0.32 0.57 0.42 0.41 0.00 0.00 173.24 174.71 2jwn s THR 49 N 0.31 5.03 0.06 1.44 -4.23 -1.26 -5.01 115.64 111.99 2jwn s THR 49 Ca 0.53 -0.01 -0.21 0.00 -1.18 0.00 0.00 61.69 60.81 2jwn s THR 49 Cb -0.29 -3.76 -0.12 0.00 1.34 0.00 0.00 72.50 69.67 2jwn s THR 49 CO 0.32 -0.40 1.52 0.00 -0.54 0.00 0.00 174.62 175.52 2jwn h ALA 50 N 1.43 0.19 0.14 3.99 0.00 -1.98 -2.03 119.26 120.99 2jwn h ALA 50 Ca -0.48 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.27 2jwn h ALA 50 Cb 1.20 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2jwn h ALA 50 CO 0.65 -0.14 -0.20 0.37 0.00 0.00 0.00 179.25 179.93 2jwn h GLN 51 N 0.01 -0.38 -0.57 0.00 4.15 -1.98 0.43 115.11 116.77 2jwn h GLN 51 Ca 0.04 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 2jwn h GLN 51 Cb 0.32 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 2jwn h GLN 51 CO 0.00 -0.25 0.22 0.22 -1.93 0.00 0.00 178.83 177.09 2jwn h ASP 52 N -0.40 0.76 -0.08 -0.69 3.58 -1.98 -1.47 116.42 116.14 2jwn h ASP 52 Ca 0.02 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.30 2jwn h ASP 52 Cb 0.40 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2jwn h ASP 52 CO -0.09 0.69 -0.22 0.25 -2.88 0.00 0.00 179.24 176.98 2jwn h LEU 53 N 0.82 0.34 -0.24 2.28 6.46 -1.01 -2.75 115.31 121.20 2jwn h LEU 53 Ca 0.19 -0.60 0.02 0.00 -0.12 0.00 0.00 57.88 57.38 2jwn h LEU 53 Cb 0.17 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2jwn h LEU 53 CO -0.02 0.87 0.09 -0.08 -0.62 0.00 0.00 178.44 178.69 2jwn h GLU 54 N -0.18 0.21 -0.90 1.25 4.81 0.05 -2.00 114.58 117.81 2jwn h GLU 54 Ca -0.00 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.31 2jwn h GLU 54 Cb 0.83 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.10 2jwn h GLU 54 CO 0.05 0.14 0.58 0.00 -0.73 0.00 0.00 179.01 179.05 2jwn h ALA 55 N 1.14 1.63 -0.65 2.92 0.00 -1.28 0.54 119.26 123.56 2jwn h ALA 55 Ca 0.10 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2jwn h ALA 55 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2jwn h ALA 55 CO -0.10 0.19 0.08 1.25 0.00 0.00 0.00 179.25 180.68 2jwn h HIS 56 N 0.90 1.16 0.00 0.00 -0.00 -1.07 -2.46 115.15 113.68 2jwn h HIS 56 Ca 0.42 -0.17 -0.03 0.00 -0.00 0.00 0.00 60.37 60.59 2jwn h HIS 56 Cb 0.41 -0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 27.50 2jwn h HIS 56 CO -0.00 0.99 -0.42 0.74 -0.00 0.00 0.00 177.93 179.23 2jwn h PHE 57 N 1.00 0.00 -0.36 5.26 0.04 -0.76 -3.31 116.94 118.81 2jwn h PHE 57 Ca 0.19 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 2jwn h PHE 57 Cb 0.47 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 2jwn h PHE 57 CO 0.03 0.13 0.21 1.03 -0.60 0.00 0.00 178.31 179.12 2jwn h SER 58 N 0.00 0.43 -0.08 2.17 0.87 0.52 0.23 113.55 117.69 2jwn h SER 58 Ca -0.01 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 2jwn h SER 58 Cb 1.11 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2jwn h SER 58 CO 0.02 0.33 0.06 0.28 -0.53 0.00 0.00 176.83 176.99 2jwn h SER 59 N 0.49 0.00 0.02 6.23 0.02 -1.62 -2.23 113.55 116.46 2jwn h SER 59 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2jwn h SER 59 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2jwn h SER 59 CO -0.02 0.00 -0.05 0.00 -1.14 0.00 0.00 176.83 175.61 2jwn n GLY 61 N 1.23 -0.28 3.57 0.00 0.00 -0.84 -4.25 105.19 104.63 2jwn n GLY 61 Ca 0.17 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 6.29 -0.09 1.61 0.01 -1.26 -4.35 113.70 111.91 2jwn s SER 62 Ca 0.00 0.08 -0.21 0.00 1.31 0.00 0.00 55.95 57.13 2jwn s SER 62 Cb 0.00 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 2jwn s SER 62 CO 0.00 -0.36 0.59 -0.63 0.41 0.00 0.00 173.24 173.24 2jwn s ILE 63 N 2.24 5.12 -0.25 1.44 1.01 -1.26 0.03 121.20 129.53 2jwn s ILE 63 Ca 0.17 1.20 0.01 0.00 0.00 0.00 0.00 60.65 62.02 2jwn s ILE 63 Cb -0.16 -3.93 -0.17 0.00 0.01 0.00 0.00 42.46 38.21 2jwn s ILE 63 CO 0.12 0.29 -0.19 0.59 0.00 0.00 0.00 174.94 175.74 2jwn n ASN 64 N 3.71 1.99 -3.76 3.58 5.03 0.12 -4.86 115.26 121.06 2jwn n ASN 64 Ca -0.04 -0.10 -0.10 0.00 0.87 0.00 0.00 54.58 55.21 2jwn n ASN 64 Cb 0.51 -0.46 -0.06 0.00 -1.02 0.00 0.00 39.78 38.76 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2jwn s ARG 65 N -2.52 1.01 -0.07 3.52 0.52 -0.96 -5.02 118.95 115.43 2jwn s ARG 65 Ca -0.34 -0.87 -0.06 0.00 -0.52 0.00 0.00 55.73 53.94 2jwn s ARG 65 Cb 0.09 0.41 0.02 0.00 0.52 0.00 0.00 34.95 36.00 2jwn s ARG 65 CO 0.61 -0.37 0.19 0.96 0.02 0.00 0.00 175.30 176.70 2jwn s ILE 66 N -3.85 -0.01 -0.14 1.52 -4.36 -1.26 -0.18 121.20 112.92 2jwn s ILE 66 Ca 0.06 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.48 2jwn s ILE 66 Cb 0.03 -0.28 0.02 0.00 1.25 0.00 0.00 42.46 43.49 2jwn s ILE 66 CO -0.10 0.01 -0.13 -0.89 0.24 0.00 0.00 174.94 174.08 2jwn s THR 67 N 0.33 1.45 -0.20 8.37 2.01 0.86 -4.98 115.64 123.48 2jwn s THR 67 Ca -0.02 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.42 2jwn s THR 67 Cb -0.03 -1.37 0.02 0.00 0.01 0.00 0.00 72.50 71.12 2jwn s THR 67 CO -0.01 0.44 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.58 2jwn s ILE 68 N 1.45 2.37 -0.13 1.82 1.09 -1.26 0.30 121.20 126.85 2jwn s ILE 68 Ca 0.03 -0.95 0.02 0.00 -1.10 0.00 0.00 60.65 58.66 2jwn s ILE 68 Cb -0.13 -2.08 0.01 0.00 -1.06 0.00 0.00 42.46 39.20 2jwn s ILE 68 CO -0.09 0.43 -0.20 -1.48 -0.10 0.00 0.00 174.94 173.50 2jwn s LEU 69 N 1.30 1.97 -0.07 2.97 2.34 0.26 -4.99 118.68 122.47 2jwn s LEU 69 Ca 0.03 -0.54 0.04 0.00 0.06 0.00 0.00 54.13 53.73 2jwn s LEU 69 Cb -0.14 -1.31 -0.02 0.00 -0.56 0.00 0.00 46.19 44.16 2jwn s LEU 69 CO -0.10 0.06 -0.20 0.00 -1.06 0.00 0.00 176.35 175.06 2jwn s ASP 71 N -0.26 1.71 -0.10 0.00 1.47 -0.61 -4.89 116.67 113.98 2jwn s ASP 71 Ca 0.00 -0.75 0.15 0.00 1.18 0.00 0.00 52.55 53.13 2jwn s ASP 71 Cb -0.13 -0.04 0.22 0.00 -0.34 0.00 0.00 42.92 42.64 2jwn s ASP 71 CO 0.03 -0.17 1.11 0.29 0.68 0.00 0.00 175.17 177.11 2jwn n LYS 72 N 0.76 1.45 0.27 2.11 5.02 -1.26 -0.24 118.16 126.27 2jwn n LYS 72 Ca -0.17 -2.29 0.16 0.00 -2.02 0.00 0.00 58.31 53.99 2jwn n LYS 72 Cb 0.56 -1.35 0.70 0.00 -0.02 0.00 0.00 35.03 34.93 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 0.00 0.00 -0.44 2.13 -5.15 -1.96 0.27 116.94 111.79 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 0.95 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.12 2jwn h PHE 73 CO 0.01 0.05 0.00 -1.13 -2.00 0.00 0.00 178.31 175.24 2jwn n SER 74 N -3.20 2.45 0.00 -0.68 3.41 -1.26 -4.92 113.62 109.42 2jwn n SER 74 Ca -0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 2jwn n SER 74 Cb 0.30 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2jwn n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jwn n GLY 75 N 1.15 2.84 3.82 5.00 0.00 0.08 -5.00 105.19 113.09 2jwn n GLY 75 Ca 0.15 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 3.59 -0.12 1.61 3.76 -1.26 -4.88 115.29 117.79 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 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 2jwn s HIS 76 CO 0.00 0.56 1.58 -1.25 -0.85 0.00 0.00 174.74 174.78 2jwn s PRO 77 N -0.58 4.08 0.10 8.40 0.04 -1.24 -4.19 135.00 141.62 2jwn s PRO 77 Ca 0.17 1.96 0.07 0.00 0.04 0.00 0.00 61.00 63.25 2jwn s PRO 77 Cb -0.13 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 2jwn s PRO 77 CO 0.06 -0.95 -0.11 0.15 0.04 0.00 0.00 177.00 176.19 2jwn s LYS 78 N 4.13 2.09 -0.06 4.56 1.02 0.67 -4.66 119.74 127.49 2jwn s LYS 78 Ca 0.70 -1.04 0.06 0.00 0.02 0.00 0.00 55.97 55.71 2jwn s LYS 78 Cb -0.29 -2.28 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 2jwn s LYS 78 CO 0.27 0.51 -0.24 0.20 -0.92 0.00 0.00 175.35 175.16 2jwn s GLY 79 N -2.17 1.28 -0.11 -3.33 0.00 -1.26 -1.58 107.32 100.15 2jwn s GLY 79 Ca 0.21 -1.02 -0.18 0.00 0.00 0.00 0.00 44.72 43.73 2jwn s GLY 79 CO 0.13 -0.60 0.45 -2.52 0.00 0.00 0.00 173.10 170.56 2jwn s TYR 80 N -0.10 -0.43 0.04 1.90 1.13 -0.95 -3.15 117.35 115.79 2jwn s TYR 80 Ca -0.05 0.93 -0.02 0.00 -1.41 0.00 0.00 57.07 56.52 2jwn s TYR 80 Cb -0.14 0.18 -0.03 0.00 -1.10 0.00 0.00 41.96 40.88 2jwn s TYR 80 CO 0.04 -0.34 0.01 0.00 -2.51 0.00 0.00 175.55 172.75 2jwn s ALA 81 N -0.43 0.23 -0.12 9.51 0.00 0.80 -0.58 121.76 131.16 2jwn s ALA 81 Ca -0.06 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2jwn s ALA 81 Cb -0.03 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 2jwn s ALA 81 CO 0.03 -0.30 -0.15 0.71 0.00 0.00 0.00 175.76 176.05 2jwn s TYR 82 N -2.90 2.77 -0.29 0.00 2.02 0.15 0.48 117.35 119.58 2jwn s TYR 82 Ca -0.03 -0.71 -0.04 0.00 -0.37 0.00 0.00 57.07 55.93 2jwn s TYR 82 Cb 0.01 -1.82 0.03 0.00 -0.40 0.00 0.00 41.96 39.78 2jwn s TYR 82 CO -0.06 -0.24 0.02 0.42 -1.57 0.00 0.00 175.55 174.11 2jwn s ILE 83 N 0.34 3.33 -0.27 2.71 -1.09 -0.44 -0.10 121.20 125.68 2jwn s ILE 83 Ca -0.12 -1.05 -0.22 0.00 -2.23 0.00 0.00 60.65 57.03 2jwn s ILE 83 Cb -0.16 -2.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.92 2jwn s ILE 83 CO 0.06 0.03 0.71 -1.61 -1.23 0.00 0.00 174.94 172.90 2jwn s GLU 84 N 1.36 4.06 0.31 2.79 8.01 0.75 -0.80 118.70 135.18 2jwn s GLU 84 Ca -0.01 0.60 0.07 0.00 0.01 0.00 0.00 54.97 55.64 2jwn s GLU 84 Cb -0.18 -3.68 -0.02 0.00 -4.31 0.00 0.00 34.13 25.94 2jwn s GLU 84 CO -0.01 -0.52 0.33 -0.06 0.01 0.00 0.00 175.26 175.02 2jwn s PHE 85 N 2.69 3.05 -0.15 1.61 0.08 -0.07 0.11 117.98 125.31 2jwn s PHE 85 Ca 0.29 -0.22 0.18 0.00 0.12 0.00 0.00 56.93 57.31 2jwn s PHE 85 Cb -0.15 -1.76 0.29 0.00 -0.57 0.00 0.00 43.02 40.83 2jwn s PHE 85 CO 0.10 0.22 1.55 0.00 -0.10 0.00 0.00 175.22 176.98 2jwn h ALA 86 N 1.19 0.80 -3.59 5.36 0.00 -0.66 -3.43 119.26 118.93 2jwn h ALA 86 Ca -0.46 -0.33 -0.54 0.00 0.00 0.00 0.00 54.91 53.58 2jwn h ALA 86 Cb 1.25 -0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 2jwn h ALA 86 CO 0.58 0.45 -0.82 -1.21 0.00 0.00 0.00 179.25 178.24 2jwn s GLU 87 N -3.14 1.10 0.33 0.00 0.41 -1.26 -5.01 118.70 111.12 2jwn s GLU 87 Ca 0.04 -1.16 0.13 0.00 -0.41 0.00 0.00 54.97 53.57 2jwn s GLU 87 Cb 0.08 -1.33 0.55 0.00 -1.78 0.00 0.00 34.13 31.65 2jwn s GLU 87 CO 0.71 0.30 1.71 0.00 -0.49 0.00 0.00 175.26 177.50 2jwn h ARG 88 N 4.04 0.00 -0.59 1.61 2.47 -1.89 -2.78 114.38 117.24 2jwn h ARG 88 Ca -0.45 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.30 2jwn h ARG 88 Cb 1.18 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.47 2jwn h ARG 88 CO 0.40 0.49 0.39 -0.91 0.56 0.00 0.00 179.97 180.90 2jwn h ASN 89 N 0.00 0.60 -0.42 7.04 -0.26 -1.96 -1.72 115.58 118.86 2jwn h ASN 89 Ca -0.00 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.66 2jwn h ASN 89 Cb 0.90 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 38.00 2jwn h ASN 89 CO 0.06 0.42 0.05 0.28 -1.06 0.00 0.00 177.43 177.17 2jwn h SER 90 N 0.70 0.75 -0.64 5.81 0.02 -1.67 -2.05 113.55 116.48 2jwn h SER 90 Ca 0.24 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2jwn h SER 90 Cb 0.08 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 2jwn h SER 90 CO -0.06 0.79 0.12 -0.37 -1.14 0.00 0.00 176.83 176.17 2jwn h VAL 91 N 0.75 1.26 -0.50 2.27 -1.51 -1.38 -0.34 116.25 116.81 2jwn h VAL 91 Ca 0.15 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 2jwn h VAL 91 Cb 0.39 0.62 -0.02 0.00 -2.13 0.00 0.00 31.29 30.15 2jwn h VAL 91 CO 0.01 0.37 0.33 0.44 -1.23 0.00 0.00 177.57 177.49 2jwn h ASP 92 N 1.00 0.57 0.07 4.19 3.32 -1.16 0.33 116.42 124.74 2jwn h ASP 92 Ca 0.20 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 57.03 2jwn h ASP 92 Cb 0.40 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2jwn h ASP 92 CO 0.01 0.42 -0.78 0.00 -1.72 0.00 0.00 179.24 177.17 2jwn h ALA 93 N 1.68 0.43 -0.09 3.45 0.00 -0.70 -2.85 119.26 121.18 2jwn h ALA 93 Ca 0.18 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 2jwn h ALA 93 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jwn h ALA 93 CO -0.04 0.73 -0.39 0.00 0.00 0.00 0.00 179.25 179.55 2jwn h ALA 94 N 0.72 0.17 0.00 0.00 0.00 -0.21 -3.10 119.26 116.85 2jwn h ALA 94 Ca -0.05 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jwn h ALA 94 Cb 1.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2jwn h ALA 94 CO 0.15 0.28 -0.02 -0.39 0.00 0.00 0.00 179.25 179.27 2jwn h VAL 95 N -0.02 0.35 0.00 0.00 -1.51 -0.44 0.79 116.25 115.42 2jwn h VAL 95 Ca -0.02 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 2jwn h VAL 95 Cb 1.03 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2jwn h VAL 95 CO 0.08 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 176.44 2jwn h ALA 96 N 1.98 1.00 -0.52 5.19 0.00 -1.42 -1.40 119.26 124.10 2jwn h ALA 96 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jwn h ALA 96 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jwn h ALA 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 179.25 179.13 2jwn n MET 97 N -2.45 2.70 -0.31 0.00 0.00 0.26 -4.73 117.12 112.58 2jwn n MET 97 Ca 0.02 -2.34 0.06 0.00 0.00 0.00 0.00 57.70 55.44 2jwn n MET 97 Cb 0.25 -1.43 0.14 0.00 0.00 0.00 0.00 33.22 32.18 2jwn n MET 97 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2jwn n ASP 98 N 1.14 -0.28 -4.12 6.12 5.75 -0.53 -3.17 116.55 121.46 2jwn n ASP 98 Ca 0.18 1.49 -0.34 0.00 -0.01 0.00 0.00 54.79 56.11 2jwn n ASP 98 Cb 0.53 -0.46 -0.13 0.00 -1.03 0.00 0.00 41.12 40.02 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 -6.06 2.07 0.27 0.11 2.12 -1.26 -2.08 118.70 113.87 2jwn s GLU 99 Ca -0.13 -1.60 -0.03 0.00 0.36 0.00 0.00 54.97 53.57 2jwn s GLU 99 Cb 0.24 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 2jwn s GLU 99 CO 0.68 -0.85 0.33 -0.08 -0.54 0.00 0.00 175.26 174.80 2jwn s THR 100 N 1.13 0.00 -0.30 -1.70 -1.32 -1.19 -4.96 115.64 107.30 2jwn s THR 100 Ca 0.03 -1.74 -0.08 0.00 -1.21 0.00 0.00 61.69 58.68 2jwn s THR 100 Cb -0.21 -2.46 -0.00 0.00 -1.51 0.00 0.00 72.50 68.32 2jwn s THR 100 CO -0.04 0.00 0.11 0.54 -2.21 0.00 0.00 174.62 173.03 2jwn s VAL 101 N -3.72 4.31 -0.18 5.08 0.11 -1.26 0.04 120.40 124.78 2jwn s VAL 101 Ca 0.33 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 2jwn s VAL 101 Cb 0.02 -3.19 0.03 0.00 -1.53 0.00 0.00 36.38 31.71 2jwn s VAL 101 CO 0.16 0.10 -0.15 0.12 -3.33 0.00 0.00 175.10 172.00 2jwn s PHE 102 N 1.57 2.53 -1.46 1.54 5.36 0.12 -4.69 117.98 122.95 2jwn s PHE 102 Ca 0.04 -1.56 -0.03 0.00 -0.96 0.00 0.00 56.93 54.43 2jwn s PHE 102 Cb -0.17 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 2jwn s PHE 102 CO 0.04 -0.75 0.38 0.54 -1.46 0.00 0.00 175.22 173.97 2jwn n ARG 103 N 4.67 -3.51 -0.35 10.12 1.74 -1.26 -2.42 116.66 125.65 2jwn n ARG 103 Ca -0.17 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 2jwn n ARG 103 Cb 0.48 -5.47 0.00 0.00 -1.02 0.00 0.00 32.46 26.46 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 -1.32 0.93 3.23 -0.13 0.00 -1.26 -5.04 105.19 101.60 2jwn n GLY 104 Ca -0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.52 0.98 -0.22 1.61 1.70 -1.01 -5.08 118.95 116.41 2jwn s ARG 105 Ca 0.00 -1.22 -0.26 0.00 -0.47 0.00 0.00 55.73 53.78 2jwn s ARG 105 Cb 0.00 -0.82 -0.00 0.00 -0.57 0.00 0.00 34.95 33.56 2jwn s ARG 105 CO 0.00 0.15 0.88 0.99 -1.08 0.00 0.00 175.30 176.24 2jwn s THR 106 N -2.22 4.81 0.46 4.99 2.01 -1.26 0.14 115.64 124.58 2jwn s THR 106 Ca 0.08 1.69 0.08 0.00 0.31 0.00 0.00 61.69 63.86 2jwn s THR 106 Cb -0.04 -4.17 0.03 0.00 0.01 0.00 0.00 72.50 68.33 2jwn s THR 106 CO 0.02 -0.07 0.63 0.27 -0.69 0.00 0.00 174.62 174.78 2jwn s ILE 107 N 2.74 2.78 -0.07 1.82 -4.36 0.11 -4.86 121.20 119.36 2jwn s ILE 107 Ca 0.38 -0.99 0.01 0.00 -0.26 0.00 0.00 60.65 59.79 2jwn s ILE 107 Cb -0.16 -2.79 0.02 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 0.00 174.94 174.44 2jwn s LYS 108 N -4.44 1.27 -0.08 0.37 2.47 -1.13 -3.73 119.74 114.48 2jwn s LYS 108 Ca 0.57 -0.23 0.02 0.00 -1.56 0.00 0.00 55.97 54.77 2jwn s LYS 108 Cb -0.09 -1.22 0.01 0.00 -1.46 0.00 0.00 37.83 35.07 2jwn s LYS 108 CO 0.35 -0.11 -0.13 0.08 0.16 0.00 0.00 175.35 175.70 2jwn s VAL 109 N 1.11 1.22 0.12 4.02 1.01 -0.88 0.03 120.40 127.02 2jwn s VAL 109 Ca -0.07 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2jwn s VAL 109 Cb -0.14 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2jwn s VAL 109 CO -0.01 0.38 0.26 -1.48 0.00 0.00 0.00 175.10 174.25 2jwn s LEU 110 N 0.77 1.07 0.55 3.92 -0.00 -0.73 -4.34 118.68 119.92 2jwn s LEU 110 Ca -0.12 -0.67 -0.20 0.00 -0.00 0.00 0.00 54.13 53.14 2jwn s LEU 110 Cb -0.16 1.25 -0.05 0.00 -0.00 0.00 0.00 46.19 47.23 2jwn s LEU 110 CO 0.02 -0.81 1.17 -2.16 -0.00 0.00 0.00 176.35 174.57 2jwn s PRO 111 N -3.89 3.25 -0.81 1.48 0.04 -1.26 0.61 135.00 134.42 2jwn s PRO 111 Ca 0.09 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 62.61 2jwn s PRO 111 Cb 0.04 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2jwn s PRO 111 CO -0.07 -0.96 1.91 0.21 0.04 0.00 0.00 177.00 178.12 2jwn s LYS 112 N -3.22 2.60 0.23 4.56 2.20 -0.18 -4.54 119.74 121.39 2jwn s LYS 112 Ca 0.73 -0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 2jwn s LYS 112 Cb -0.27 -4.85 -0.09 0.00 -1.51 0.00 0.00 37.83 31.11 2jwn s LYS 112 CO 0.31 -3.15 1.09 -0.98 -0.36 0.00 0.00 175.35 172.26 2jwn s ARG 113 N 6.97 4.63 -0.00 4.03 1.04 -1.26 -4.76 118.95 129.59 2jwn s ARG 113 Ca 0.68 1.74 0.18 0.00 -1.04 0.00 0.00 55.73 57.30 2jwn s ARG 113 Cb -0.08 -3.24 -0.21 0.00 -2.04 0.00 0.00 34.95 29.37 2jwn s ARG 113 CO 0.06 0.16 0.70 0.25 -0.04 0.00 0.00 175.30 176.43 2jwn n THR 114 N 1.80 0.00 0.00 4.99 -2.24 -1.26 -5.02 114.28 112.55 2jwn n THR 114 Ca 0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2jwn n THR 114 Cb 0.46 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 2jwn n THR 114 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jwn n ASN 115 N -1.56 0.00 -4.25 3.42 4.13 -1.26 -4.71 115.26 111.03 2jwn n ASN 115 Ca 0.02 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.90 2jwn n ASN 115 Cb 0.32 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.44 2jwn n ASN 115 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2jwn s MET 116 N 0.00 2.55 0.00 3.52 -1.94 -1.26 -4.92 119.30 117.25 2jwn s MET 116 Ca 0.00 -1.31 0.28 0.00 -1.71 0.00 0.00 55.69 52.95 2jwn s MET 116 Cb 0.00 -3.54 1.12 0.00 2.01 0.00 0.00 34.83 34.42 2jwn s MET 116 CO 0.00 -0.77 1.78 -0.35 -0.01 0.00 0.00 175.02 175.67 2jwn n PRO 117 N 4.81 1.27 -0.06 2.03 -0.04 -1.26 -4.25 135.00 137.50 2jwn n PRO 117 Ca -0.11 -0.65 -0.12 0.00 -0.04 0.00 0.00 63.50 62.58 2jwn n PRO 117 Cb 0.44 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 2jwn n PRO 117 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jwn n GLY 118 N 1.20 -0.30 3.55 0.55 0.00 -1.26 -4.88 105.19 104.05 2jwn n GLY 118 Ca 0.18 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.41 3.48 -0.25 -0.61 -1.09 -1.26 -4.81 121.20 114.25 2jwn s ILE 119 Ca -0.21 0.07 -0.33 0.00 -2.23 0.00 0.00 60.65 57.95 2jwn s ILE 119 Cb 0.06 -4.22 0.16 0.00 -1.58 0.00 0.00 42.46 36.89 2jwn s ILE 119 CO 0.28 -1.17 1.29 -0.55 -1.23 0.00 0.00 174.94 173.56 2jwn s SER 120 N 7.05 -0.09 -0.34 3.58 0.15 -1.26 -4.81 113.70 117.99 2jwn s SER 120 Ca 0.60 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2jwn s SER 120 Cb -0.10 0.08 0.11 0.00 -1.71 0.00 0.00 66.02 64.40 2jwn s SER 120 CO 0.13 -0.11 0.12 -0.44 1.20 0.00 0.00 173.24 174.14 2jwn s SER 121 N -1.64 4.03 -1.13 5.45 0.01 -1.26 -5.05 113.70 114.12 2jwn s SER 121 Ca 0.09 -1.87 -0.21 0.00 1.31 0.00 0.00 55.95 55.26 2jwn s SER 121 Cb -0.01 -0.97 0.02 0.00 0.21 0.00 0.00 66.02 65.27 2jwn s SER 121 CO -0.05 -0.39 1.69 -0.89 0.41 0.00 0.00 173.24 174.02 2jwn s THR 122 N 1.32 3.87 0.00 1.44 2.01 -1.26 -1.82 115.64 121.20 2jwn s THR 122 Ca 0.11 -1.15 0.00 0.00 0.31 0.00 0.00 61.69 60.97 2jwn s THR 122 Cb -0.19 -4.90 0.00 0.00 0.01 0.00 0.00 72.50 67.42 2jwn s THR 122 CO -0.19 -1.70 0.00 -0.90 -0.69 0.00 0.00 174.62 171.14 2jwn n ASP 123 N 10.18 0.00 -0.87 3.53 5.75 -1.26 -5.35 116.55 128.53 2jwn n ASP 123 Ca 0.41 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 55.32 2jwn n ASP 123 Cb 0.48 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.75 2jwn n ASP 123 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95