#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsf n LEU 20 N 0.00 -0.79 -0.34 -4.62 7.94 -1.26 -4.66 117.00 113.27 2wsf n LEU 20 Ca 0.00 0.40 0.19 0.00 -1.11 0.00 0.00 56.01 55.50 2wsf n LEU 20 Cb 0.00 0.90 0.41 0.00 0.53 0.00 0.00 43.42 45.26 2wsf n LEU 20 CO 0.00 -0.52 1.14 -0.78 -1.11 0.00 0.00 177.39 176.13 2wsf h ASP 21 N 0.00 0.61 -3.28 1.96 1.82 -2.12 -0.20 116.42 115.21 2wsf h ASP 21 Ca 0.00 0.15 -0.74 0.00 -0.39 0.00 0.00 57.03 56.06 2wsf h ASP 21 Cb 0.00 0.07 -0.26 0.00 0.68 0.00 0.00 39.33 39.82 2wsf h ASP 21 CO 0.00 0.02 -0.35 -2.16 -1.61 0.00 0.00 179.24 175.14 2wsf s PRO 22 N -5.74 2.77 -0.35 0.28 0.05 -1.26 -5.05 135.00 125.69 2wsf s PRO 22 Ca -0.10 -1.57 -0.01 0.00 0.05 0.00 0.00 61.00 59.36 2wsf s PRO 22 Cb 0.28 -4.04 0.08 0.00 0.05 0.00 0.00 34.50 30.87 2wsf s PRO 22 CO 0.79 -1.13 0.09 1.21 0.05 0.00 0.00 177.00 178.02 2wsf s ASN 23 N 2.76 5.03 -0.24 6.66 3.04 -0.09 -4.78 114.94 127.32 2wsf s ASN 23 Ca 0.04 -1.71 0.11 0.00 0.04 0.00 0.00 52.86 51.33 2wsf s ASN 23 Cb -0.26 -1.75 0.45 0.00 -1.54 0.00 0.00 41.25 38.15 2wsf s ASN 23 CO 0.03 -0.40 1.31 1.07 -3.04 0.00 0.00 177.10 176.07 2wsf n THR 24 N 4.56 2.32 -0.52 -5.21 5.66 -1.26 -5.08 114.28 114.75 2wsf n THR 24 Ca -0.06 -2.99 -0.14 0.00 -3.05 0.00 0.00 64.05 57.80 2wsf n THR 24 Cb 0.42 -0.27 0.13 0.00 -1.55 0.00 0.00 70.33 69.06 2wsf n THR 24 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2wsf n PRO 25 N -1.13 -2.51 0.00 1.09 -0.04 -1.26 -4.91 135.00 126.25 2wsf n PRO 25 Ca 0.24 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 2wsf n PRO 25 Cb 0.82 -0.82 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2wsf n PRO 25 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2wsf n SER 26 N -4.05 -0.01 -4.36 3.54 2.88 -1.26 -4.72 113.62 105.64 2wsf n SER 26 Ca 0.07 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.16 2wsf n SER 26 Cb 0.28 0.47 -0.00 0.00 -0.75 0.00 0.00 64.21 64.21 2wsf n SER 26 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2wsf s PRO 27 N -2.00 4.15 0.42 -1.46 0.05 -1.26 -4.66 135.00 130.23 2wsf s PRO 27 Ca 0.00 -3.06 -0.21 0.00 0.05 0.00 0.00 61.00 57.78 2wsf s PRO 27 Cb 0.00 -4.64 -0.15 0.00 0.05 0.00 0.00 34.50 29.77 2wsf s PRO 27 CO 0.00 -1.34 0.18 1.51 0.05 0.00 0.00 177.00 177.41 2wsf n ILE 28 N 3.12 0.90 0.07 0.56 0.13 -1.26 -4.93 119.36 117.96 2wsf n ILE 28 Ca 0.25 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.40 2wsf n ILE 28 Cb 0.40 -0.13 0.00 0.00 -0.84 0.00 0.00 39.64 39.07 2wsf n ILE 28 CO 0.00 0.00 0.00 0.33 2.80 0.00 0.00 176.55 179.68 2wsf n PHE 29 N -1.05 -2.89 -4.42 9.51 7.35 -1.26 -3.89 117.46 120.82 2wsf n PHE 29 Ca 0.11 0.46 0.00 0.00 -0.76 0.00 0.00 57.45 57.26 2wsf n PHE 29 Cb 0.41 1.47 0.00 0.00 0.35 0.00 0.00 39.48 41.71 2wsf n PHE 29 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wsf n ALA 30 N -2.80 0.00 -1.00 3.13 0.00 -1.26 -4.84 120.51 113.74 2wsf n ALA 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wsf n ALA 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wsf n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsf n GLY 31 N 0.00 -2.20 0.00 0.00 0.00 -1.26 -5.10 105.19 96.63 2wsf n GLY 31 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2wsf n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wsf n SER 32 N -0.59 0.00 -0.99 1.61 2.88 -1.26 -4.98 113.62 110.30 2wsf n SER 32 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2wsf n SER 32 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 2wsf n SER 32 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2wsf n THR 33 N -0.41 1.03 0.00 2.46 -2.24 -1.26 -4.71 114.28 109.16 2wsf n THR 33 Ca 0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2wsf n THR 33 Cb 0.00 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 2wsf n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wsf n GLY 34 N 0.48 0.85 0.00 3.38 0.00 -1.26 -5.05 105.19 103.58 2wsf n GLY 34 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2wsf n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wsf n GLY 35 N 2.68 -3.29 0.00 -0.02 0.00 -1.26 -4.88 105.19 98.41 2wsf n GLY 35 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2wsf n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wsf n LEU 36 N 0.00 0.00 -4.01 0.99 4.32 -1.26 -4.98 117.00 112.06 2wsf n LEU 36 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.88 2wsf n LEU 36 Cb 0.00 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 2wsf n LEU 36 CO 0.00 0.00 0.20 -1.48 -1.22 0.00 0.00 177.39 174.89 2wsf s LEU 37 N 0.00 0.51 0.00 2.23 0.05 -1.26 -5.05 118.68 115.16 2wsf s LEU 37 Ca 0.00 -1.13 0.00 0.00 0.05 0.00 0.00 54.13 53.05 2wsf s LEU 37 Cb 0.00 1.77 0.00 0.00 -2.05 0.00 0.00 46.19 45.91 2wsf s LEU 37 CO 0.00 -1.24 0.00 0.54 -0.55 0.00 0.00 176.35 175.10 2wsf n ARG 38 N -0.45 0.00 -2.21 1.48 1.74 -1.26 -2.98 116.66 112.97 2wsf n ARG 38 Ca -0.01 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 2wsf n ARG 38 Cb 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.06 2wsf n ARG 38 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2wsf n LYS 39 N -3.08 3.57 0.00 5.56 3.00 -1.26 -2.99 118.16 122.96 2wsf n LYS 39 Ca 0.00 -3.37 0.00 0.00 -0.00 0.00 0.00 58.31 54.94 2wsf n LYS 39 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 35.03 32.07 2wsf n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wsf n ALA 40 N 4.05 0.00 -0.02 3.14 0.00 -1.16 -4.77 120.51 121.75 2wsf n ALA 40 Ca 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.86 2wsf n ALA 40 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 2wsf n ALA 40 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wsf n GLN 41 N 0.00 0.12 0.14 0.00 0.00 -1.16 -4.25 117.38 112.23 2wsf n GLN 41 Ca 0.00 0.23 0.18 0.00 -0.00 0.00 0.00 57.00 57.41 2wsf n GLN 41 Cb 0.02 -0.90 0.77 0.00 0.00 0.00 0.00 30.24 30.12 2wsf n GLN 41 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 2wsf h VAL 42 N -0.25 0.54 -0.11 1.69 3.04 -1.91 -3.42 116.25 115.82 2wsf h VAL 42 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2wsf h VAL 42 Cb 0.17 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 2wsf h VAL 42 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.57 174.72 2wsf n GLU 43 N -3.95 1.23 -1.20 4.17 0.28 -1.26 -5.08 120.64 114.82 2wsf n GLU 43 Ca 0.04 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.75 2wsf n GLU 43 Cb 0.44 0.00 0.20 0.00 1.43 0.00 0.00 31.44 33.50 2wsf n GLU 43 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2wsf s GLU 44 N 4.11 -0.13 0.06 3.44 0.41 -1.26 -4.34 118.70 120.98 2wsf s GLU 44 Ca 0.00 0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.79 2wsf s GLU 44 Cb 0.00 -1.70 0.00 0.00 -1.78 0.00 0.00 34.13 30.65 2wsf s GLU 44 CO 0.00 -3.04 0.00 0.34 -0.49 0.00 0.00 175.26 172.07 2wsf n PHE 45 N -4.34 -0.09 -1.03 1.61 -0.00 -0.42 -4.01 117.46 109.17 2wsf n PHE 45 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 2wsf n PHE 45 Cb 0.58 0.03 0.00 0.00 -0.00 0.00 0.00 39.48 40.10 2wsf n PHE 45 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2wsf n TYR 46 N -3.04 -2.09 -3.65 -5.13 0.53 -1.23 -4.09 117.16 98.46 2wsf n TYR 46 Ca 0.00 1.20 -0.12 0.00 -1.02 0.00 0.00 57.90 57.97 2wsf n TYR 46 Cb 0.00 -2.62 -0.07 0.00 -1.03 0.00 0.00 39.34 35.62 2wsf n TYR 46 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2wsf s VAL 47 N -0.65 -0.00 0.03 -0.72 0.11 -1.23 -0.87 120.40 117.07 2wsf s VAL 47 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2wsf s VAL 47 Cb 0.00 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 2wsf s VAL 47 CO 0.00 0.00 -0.05 -0.51 -3.33 0.00 0.00 175.10 171.21 2wsf s ILE 48 N 0.81 3.73 0.12 7.04 2.07 -0.02 -1.18 121.20 133.76 2wsf s ILE 48 Ca -0.04 -0.84 0.03 0.00 -1.41 0.00 0.00 60.65 58.40 2wsf s ILE 48 Cb -0.05 -2.66 -0.04 0.00 0.13 0.00 0.00 42.46 39.83 2wsf s ILE 48 CO -0.06 0.32 -0.08 0.28 -1.91 0.00 0.00 174.94 173.49 2wsf s THR 49 N -1.08 0.90 0.18 4.00 -1.32 0.28 -0.61 115.64 118.00 2wsf s THR 49 Ca 0.19 -1.95 -0.24 0.00 -1.21 0.00 0.00 61.69 58.49 2wsf s THR 49 Cb -0.11 -1.70 0.07 0.00 -1.51 0.00 0.00 72.50 69.24 2wsf s THR 49 CO 0.10 -0.79 0.98 -1.66 -2.21 0.00 0.00 174.62 171.04 2wsf s TRP 50 N -3.37 -0.05 0.49 9.09 1.48 0.57 0.10 118.94 127.25 2wsf s TRP 50 Ca 0.13 -0.30 0.06 0.00 -1.06 0.00 0.00 56.10 54.93 2wsf s TRP 50 Cb 0.03 0.67 0.01 0.00 -1.16 0.00 0.00 33.47 33.02 2wsf s TRP 50 CO -0.02 -0.90 0.33 -2.00 -4.06 0.00 0.00 176.95 170.30 2wsf s GLU 51 N -2.90 2.29 -0.28 3.25 2.12 -1.26 -4.31 118.70 117.62 2wsf s GLU 51 Ca 0.15 -1.93 -0.28 0.00 0.36 0.00 0.00 54.97 53.28 2wsf s GLU 51 Cb -0.02 -2.09 0.19 0.00 0.26 0.00 0.00 34.13 32.47 2wsf s GLU 51 CO 0.04 -0.43 1.35 -1.54 -0.54 0.00 0.00 175.26 174.13 2wsf s SER 52 N -4.16 -0.08 0.00 -1.70 1.04 -1.26 -5.01 113.70 102.54 2wsf s SER 52 Ca 0.36 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2wsf s SER 52 Cb -0.01 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2wsf s SER 52 CO 0.21 -0.06 0.00 -2.65 0.98 0.00 0.00 173.24 171.73 2wsf n PRO 53 N 0.86 0.00 -4.28 4.02 -0.02 -1.26 -4.93 135.00 129.39 2wsf n PRO 53 Ca -0.04 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.10 2wsf n PRO 53 Cb 0.58 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.98 2wsf n PRO 53 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wsf s LYS 54 N 0.00 2.95 -0.07 -0.52 1.02 -1.26 -4.63 119.74 117.23 2wsf s LYS 54 Ca 0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 2wsf s LYS 54 Cb 0.00 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 2wsf s LYS 54 CO 0.00 0.67 0.19 -1.91 -0.92 0.00 0.00 175.35 173.38 2wsf n GLU 55 N 1.71 0.00 -4.58 1.68 2.13 -1.26 -4.92 120.64 115.41 2wsf n GLU 55 Ca -0.16 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.44 2wsf n GLU 55 Cb 0.53 -0.11 -0.15 0.00 0.27 0.00 0.00 31.44 31.99 2wsf n GLU 55 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 2wsf s GLN 56 N 0.61 1.07 -0.21 5.31 -2.07 -1.26 -4.94 119.66 118.17 2wsf s GLN 56 Ca 0.10 -0.53 -0.21 0.00 -1.82 0.00 0.00 55.36 52.89 2wsf s GLN 56 Cb -0.09 -1.05 -0.02 0.00 -1.09 0.00 0.00 33.01 30.76 2wsf s GLN 56 CO 0.04 0.28 0.66 -1.50 -1.32 0.00 0.00 175.29 173.45 2wsf s ILE 57 N -0.41 4.99 0.03 3.63 1.10 -1.26 -3.45 121.20 125.83 2wsf s ILE 57 Ca 0.05 1.24 0.00 0.00 -0.51 0.00 0.00 60.65 61.43 2wsf s ILE 57 Cb -0.06 -3.97 0.00 0.00 0.15 0.00 0.00 42.46 38.59 2wsf s ILE 57 CO -0.00 0.07 0.03 2.22 -2.11 0.00 0.00 174.94 175.15 2wsf n PHE 58 N 5.28 -1.76 -0.09 3.50 -1.74 -1.03 -4.95 117.46 116.67 2wsf n PHE 58 Ca -0.00 -0.12 -0.16 0.00 -0.56 0.00 0.00 57.45 56.61 2wsf n PHE 58 Cb 0.49 -0.02 -0.05 0.00 1.52 0.00 0.00 39.48 41.42 2wsf n PHE 58 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 2wsf n GLU 59 N -0.67 0.45 0.00 3.97 -0.58 -1.26 -3.55 120.64 118.99 2wsf n GLU 59 Ca 0.00 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2wsf n GLU 59 Cb 0.03 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 2wsf n GLU 59 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2wsf n MET 60 N -4.14 0.00 -2.53 3.49 1.56 -1.26 -4.25 117.12 109.99 2wsf n MET 60 Ca -0.28 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 56.82 2wsf n MET 60 Cb 0.62 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.95 2wsf n MET 60 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2wsf s PRO 61 N -5.15 3.88 0.00 2.12 0.02 -1.26 -4.25 135.00 130.35 2wsf s PRO 61 Ca 0.00 1.20 0.00 0.00 0.02 0.00 0.00 61.00 62.22 2wsf s PRO 61 Cb 0.00 -2.12 0.00 0.00 0.02 0.00 0.00 34.50 32.40 2wsf s PRO 61 CO 0.00 -0.34 0.00 0.25 -0.33 0.00 0.00 177.00 176.58 2wsf n THR 62 N -1.12 0.00 -1.79 0.99 -2.24 -1.26 -4.76 114.28 104.10 2wsf n THR 62 Ca 0.08 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2wsf n THR 62 Cb 0.53 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2wsf n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wsf n GLY 63 N -2.23 -4.49 0.00 3.38 0.00 -1.26 -4.51 105.19 96.08 2wsf n GLY 63 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2wsf n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wsf n GLY 64 N 1.02 -0.40 0.00 -0.02 0.00 -1.26 -4.87 105.19 99.65 2wsf n GLY 64 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2wsf n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsf n ALA 65 N 0.00 0.00 -2.55 4.61 0.00 -1.26 -4.92 120.51 116.40 2wsf n ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wsf n ALA 65 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wsf n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wsf n ALA 66 N -0.23 0.00 -3.00 0.00 0.00 -1.23 -4.96 120.51 111.09 2wsf n ALA 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wsf n ALA 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wsf n ALA 66 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2wsf n ILE 67 N 0.00 0.00 0.00 0.00 -5.35 -1.25 -2.46 119.36 110.30 2wsf n ILE 67 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2wsf n ILE 67 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2wsf n ILE 67 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2wsf n MET 68 N 0.00 0.00 0.00 6.28 2.81 -1.22 -3.98 117.12 121.01 2wsf n MET 68 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2wsf n MET 68 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2wsf n MET 68 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2wsf n ARG 69 N -0.48 0.00 -0.32 0.03 -4.01 -1.26 -4.81 116.66 105.81 2wsf n ARG 69 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2wsf n ARG 69 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2wsf n ARG 69 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2wsf n GLU 70 N 0.00 0.00 0.00 2.89 -0.58 -1.26 -4.89 120.64 116.80 2wsf n GLU 70 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wsf n GLU 70 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wsf n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wsf n GLY 71 N 0.00 0.18 0.15 0.62 0.00 -1.26 -4.38 105.19 100.49 2wsf n GLY 71 Ca 0.00 -1.34 0.03 0.00 0.00 0.00 0.00 46.02 44.72 2wsf n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wsf h PRO 72 N 0.00 0.00 -5.90 1.61 0.13 -1.91 -3.49 132.00 122.44 2wsf h PRO 72 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 2wsf h PRO 72 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2wsf h PRO 72 CO 0.00 0.44 -0.85 -1.71 -0.23 0.00 0.00 178.00 175.65 2wsf n ASN 73 N -3.20 -6.79 -3.41 1.44 4.05 -1.26 -4.01 115.26 102.07 2wsf n ASN 73 Ca 0.02 0.22 -0.27 0.00 0.45 0.00 0.00 54.58 55.01 2wsf n ASN 73 Cb 0.71 -3.58 -0.10 0.00 1.23 0.00 0.00 39.78 38.05 2wsf n ASN 73 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 2wsf n LEU 74 N -0.20 -0.03 -4.79 1.20 7.94 -1.26 -0.32 117.00 119.54 2wsf n LEU 74 Ca 0.02 -4.50 -0.39 0.00 -1.11 0.00 0.00 56.01 50.03 2wsf n LEU 74 Cb 0.56 0.42 -0.06 0.00 0.53 0.00 0.00 43.42 44.87 2wsf n LEU 74 CO 0.51 1.88 0.33 -0.22 -1.11 0.00 0.00 177.39 178.78 2wsf s LEU 75 N -0.27 4.51 -0.05 -1.96 1.98 0.22 -4.79 118.68 118.33 2wsf s LEU 75 Ca 0.33 1.33 -0.12 0.00 -2.89 0.00 0.00 54.13 52.78 2wsf s LEU 75 Cb 0.05 -3.01 -0.05 0.00 0.66 0.00 0.00 46.19 43.84 2wsf s LEU 75 CO -0.18 0.21 0.30 -1.59 -1.89 0.00 0.00 176.35 173.19 2wsf s LYS 76 N -0.85 3.76 -0.21 1.98 -2.85 -1.26 -0.84 119.74 119.46 2wsf s LYS 76 Ca 0.31 0.19 -0.04 0.00 -1.00 0.00 0.00 55.97 55.44 2wsf s LYS 76 Cb -0.20 -3.22 0.07 0.00 -2.06 0.00 0.00 37.83 32.42 2wsf s LYS 76 CO 0.20 0.70 0.09 -0.51 0.10 0.00 0.00 175.35 175.93 2wsf s LEU 77 N -0.97 0.71 0.00 2.77 1.43 -0.05 -4.90 118.68 117.68 2wsf s LEU 77 Ca 0.20 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 2wsf s LEU 77 Cb -0.15 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.68 2wsf s LEU 77 CO 0.09 -0.36 0.00 0.00 0.23 0.00 0.00 176.35 176.31 2wsf n ALA 78 N 5.19 0.00 -3.42 4.21 0.00 -1.26 -4.29 120.51 120.94 2wsf n ALA 78 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 2wsf n ALA 78 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 2wsf n ALA 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wsf s ARG 79 N 0.00 0.64 0.05 0.00 3.00 -1.26 -4.72 118.95 116.66 2wsf s ARG 79 Ca 0.00 0.67 0.12 0.00 0.00 0.00 0.00 55.73 56.52 2wsf s ARG 79 Cb 0.00 0.31 0.54 0.00 0.00 0.00 0.00 34.95 35.80 2wsf s ARG 79 CO 0.00 -0.09 1.39 0.36 0.00 0.00 0.00 175.30 176.96 2wsf n LYS 80 N 2.63 0.03 0.20 3.54 2.85 -1.26 0.16 118.16 126.32 2wsf n LYS 80 Ca -0.14 0.36 0.07 0.00 -1.05 0.00 0.00 58.31 57.55 2wsf n LYS 80 Cb 0.56 -1.58 0.41 0.00 -0.65 0.00 0.00 35.03 33.77 2wsf n LYS 80 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 2wsf h GLU 81 N 0.00 0.00 -0.02 -1.58 4.11 -1.98 -3.19 114.58 111.92 2wsf h GLU 81 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.21 2wsf h GLU 81 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wsf h GLU 81 CO 0.00 0.32 -0.90 0.37 0.07 0.00 0.00 179.01 178.87 2wsf h GLN 82 N 0.00 0.41 -1.36 1.06 4.15 -0.67 -3.37 115.11 115.33 2wsf h GLN 82 Ca -0.00 -0.42 -0.64 0.00 0.77 0.00 0.00 58.65 58.36 2wsf h GLN 82 Cb 0.78 0.11 -0.36 0.00 0.21 0.00 0.00 27.48 28.22 2wsf h GLN 82 CO 0.04 1.08 0.00 0.00 -1.93 0.00 0.00 178.83 178.02 2wsf n LEU 84 N -0.63 0.00 0.30 0.00 0.00 -1.26 -4.74 117.00 110.67 2wsf n LEU 84 Ca 0.48 0.00 0.16 0.00 0.00 0.00 0.00 56.01 56.65 2wsf n LEU 84 Cb 0.62 0.00 0.92 0.00 0.00 0.00 0.00 43.42 44.97 2wsf n LEU 84 CO 0.48 0.00 1.10 0.00 0.00 0.00 0.00 177.39 178.97 2wsf h ALA 85 N 0.00 1.39 -0.42 1.96 0.00 -1.72 -2.97 119.26 117.51 2wsf h ALA 85 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 2wsf h ALA 85 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2wsf h ALA 85 CO 0.00 0.03 0.88 -0.51 0.00 0.00 0.00 179.25 179.65 2wsf s LEU 86 N -7.35 2.94 0.00 0.00 2.01 -1.26 -2.18 118.68 112.84 2wsf s LEU 86 Ca -0.04 -1.50 0.00 0.00 0.01 0.00 0.00 54.13 52.60 2wsf s LEU 86 Cb 0.14 -2.59 0.00 0.00 0.01 0.00 0.00 46.19 43.75 2wsf s LEU 86 CO 0.53 -3.36 0.00 0.61 1.01 0.00 0.00 176.35 175.15 2wsf n GLY 87 N 5.91 0.68 0.03 -3.19 0.00 -1.12 -4.59 105.19 102.91 2wsf n GLY 87 Ca 0.44 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.62 2wsf n GLY 87 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wsf n THR 88 N 0.00 1.33 0.00 2.61 -2.24 -0.92 0.22 114.28 115.28 2wsf n THR 88 Ca 0.00 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 2wsf n THR 88 Cb 0.00 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 2wsf n THR 88 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2wsf n ARG 89 N -1.67 1.07 0.00 -0.78 -4.01 -0.99 -4.87 116.66 105.41 2wsf n ARG 89 Ca 0.02 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.83 2wsf n ARG 89 Cb 0.10 -0.73 0.00 0.00 -3.04 0.00 0.00 32.46 28.80 2wsf n ARG 89 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2wsf n LEU 90 N -1.50 0.25 -3.13 2.89 -0.00 -1.13 0.93 117.00 115.31 2wsf n LEU 90 Ca 0.00 -0.13 -0.23 0.00 -0.00 0.00 0.00 56.01 55.65 2wsf n LEU 90 Cb 0.23 -0.13 -0.05 0.00 -0.00 0.00 0.00 43.42 43.48 2wsf n LEU 90 CO 0.00 0.06 -0.07 -1.14 -0.00 0.00 0.00 177.39 176.24 2wsf n ARG 91 N -0.32 1.90 -2.68 1.96 0.63 0.13 -4.25 116.66 114.04 2wsf n ARG 91 Ca 0.00 -4.03 -0.01 0.00 -0.92 0.00 0.00 57.85 52.90 2wsf n ARG 91 Cb 0.06 -1.89 0.07 0.00 0.45 0.00 0.00 32.46 31.16 2wsf n ARG 91 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2wsf n SER 92 N 0.34 0.39 -2.44 6.15 3.41 0.27 -4.89 113.62 116.84 2wsf n SER 92 Ca 0.27 -2.09 -0.03 0.00 -0.26 0.00 0.00 58.87 56.76 2wsf n SER 92 Cb 0.52 -0.03 0.08 0.00 -0.26 0.00 0.00 64.21 64.51 2wsf n SER 92 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wsf n LYS 93 N -0.88 0.84 -1.32 4.33 5.02 -1.25 -5.09 118.16 119.81 2wsf n LYS 93 Ca -0.03 -1.03 0.00 0.00 -2.02 0.00 0.00 58.31 55.23 2wsf n LYS 93 Cb 0.84 0.15 0.00 0.00 -0.02 0.00 0.00 35.03 36.00 2wsf n LYS 93 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 2wsf n TYR 94 N -0.82 -2.15 0.00 2.13 4.11 -1.26 -5.04 117.16 114.13 2wsf n TYR 94 Ca -0.12 1.16 0.00 0.00 -0.00 0.00 0.00 57.90 58.93 2wsf n TYR 94 Cb 0.75 -1.87 0.00 0.00 -0.00 0.00 0.00 39.34 38.22 2wsf n TYR 94 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 2wsf n LYS 95 N -1.62 0.00 -3.17 -3.48 2.85 -1.26 -4.90 118.16 106.59 2wsf n LYS 95 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 2wsf n LYS 95 Cb 0.12 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.43 2wsf n LYS 95 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2wsf s ILE 96 N 0.00 4.99 0.00 0.58 1.01 -1.26 -4.81 121.20 121.70 2wsf s ILE 96 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.44 2wsf s ILE 96 Cb 0.00 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2wsf s ILE 96 CO 0.00 -0.09 0.00 0.29 0.00 0.00 0.00 174.94 175.14 2wsf n LYS 97 N 5.76 0.00 -3.63 2.79 5.02 -1.26 -4.98 118.16 121.87 2wsf n LYS 97 Ca -0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.21 2wsf n LYS 97 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.44 2wsf n LYS 97 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2wsf s TYR 98 N 0.00 -0.24 -0.29 2.13 1.13 -1.26 -4.29 117.35 114.52 2wsf s TYR 98 Ca 0.00 0.54 0.01 0.00 -1.41 0.00 0.00 57.07 56.21 2wsf s TYR 98 Cb 0.00 0.44 0.19 0.00 -1.10 0.00 0.00 41.96 41.49 2wsf s TYR 98 CO 0.00 -0.15 0.58 -1.14 -2.51 0.00 0.00 175.55 172.34 2wsf s GLN 99 N -0.26 0.55 -0.05 -3.49 0.74 0.28 -4.97 119.66 112.47 2wsf s GLN 99 Ca 0.05 0.81 0.06 0.00 0.05 0.00 0.00 55.36 56.33 2wsf s GLN 99 Cb -0.04 0.38 -0.01 0.00 1.10 0.00 0.00 33.01 34.44 2wsf s GLN 99 CO -0.09 -0.78 -0.25 -0.59 -0.55 0.00 0.00 175.29 173.03 2wsf s PHE 100 N 2.83 2.42 0.00 1.67 -0.71 -1.26 0.10 117.98 123.03 2wsf s PHE 100 Ca 0.17 -0.65 0.00 0.00 -1.04 0.00 0.00 56.93 55.40 2wsf s PHE 100 Cb -0.13 -1.58 0.00 0.00 -1.21 0.00 0.00 43.02 40.10 2wsf s PHE 100 CO -0.23 -0.17 0.00 0.66 -1.34 0.00 0.00 175.22 174.14 2wsf n TYR 101 N 2.83 -0.45 -3.81 3.49 4.01 -0.33 -1.96 117.16 120.94 2wsf n TYR 101 Ca -0.17 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.30 2wsf n TYR 101 Cb 0.52 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.38 2wsf n TYR 101 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2wsf s ARG 102 N 0.46 0.99 0.05 -0.72 3.52 -1.26 -3.52 118.95 118.46 2wsf s ARG 102 Ca 0.00 -0.35 -0.11 0.00 -0.13 0.00 0.00 55.73 55.14 2wsf s ARG 102 Cb 0.00 -1.82 -0.06 0.00 -1.56 0.00 0.00 34.95 31.51 2wsf s ARG 102 CO 0.00 -0.48 0.39 0.08 -0.81 0.00 0.00 175.30 174.49 2wsf s VAL 103 N 1.78 5.09 0.00 7.11 1.01 -1.26 -4.85 120.40 129.28 2wsf s VAL 103 Ca 0.01 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2wsf s VAL 103 Cb -0.15 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2wsf s VAL 103 CO -0.07 0.38 0.00 0.49 0.00 0.00 0.00 175.10 175.90 2wsf n PHE 104 N 1.21 0.00 0.44 5.22 3.72 -1.26 -1.30 117.46 125.49 2wsf n PHE 104 Ca -0.10 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.42 2wsf n PHE 104 Cb 0.52 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.30 2wsf n PHE 104 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2wsf n PRO 105 N 0.00 2.42 -2.70 -1.08 -0.05 -1.26 -4.61 135.00 127.71 2wsf n PRO 105 Ca 0.00 -2.14 -0.05 0.00 -0.05 0.00 0.00 63.50 61.26 2wsf n PRO 105 Cb 0.00 -1.50 0.05 0.00 -0.05 0.00 0.00 33.50 32.00 2wsf n PRO 105 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 2wsf n SER 106 N 1.36 -2.03 0.00 3.54 3.41 -1.26 -5.16 113.62 113.48 2wsf n SER 106 Ca 0.19 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 2wsf n SER 106 Cb 0.58 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.66 2wsf n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wsf n GLY 107 N 1.99 0.99 0.00 5.00 0.00 -1.26 -5.04 105.19 106.88 2wsf n GLY 107 Ca 0.08 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2wsf n GLY 107 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wsf n GLU 108 N 0.00 0.00 -1.87 1.61 0.28 -1.26 -4.32 120.64 115.08 2wsf n GLU 108 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2wsf n GLU 108 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2wsf n GLU 108 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2wsf n VAL 109 N 0.00 -7.96 -0.58 3.84 3.14 -1.26 -5.01 118.33 110.50 2wsf n VAL 109 Ca 0.00 2.02 0.00 0.00 -2.96 0.00 0.00 64.34 63.40 2wsf n VAL 109 Cb 0.00 -3.45 0.00 0.00 -1.06 0.00 0.00 33.84 29.33 2wsf n VAL 109 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wsf n GLN 110 N 1.78 0.00 -3.23 1.45 6.02 -1.26 -5.08 117.38 117.06 2wsf n GLN 110 Ca 0.00 0.19 -0.46 0.00 -0.01 0.00 0.00 57.00 56.73 2wsf n GLN 110 Cb 0.00 -0.58 -0.04 0.00 1.02 0.00 0.00 30.24 30.64 2wsf n GLN 110 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2wsf s TYR 111 N -1.56 3.32 -0.05 1.08 5.04 -1.26 -4.35 117.35 119.57 2wsf s TYR 111 Ca 0.00 -1.41 -0.21 0.00 -2.44 0.00 0.00 57.07 53.01 2wsf s TYR 111 Cb 0.00 -3.90 -0.16 0.00 0.35 0.00 0.00 41.96 38.25 2wsf s TYR 111 CO 0.00 -1.12 0.88 1.25 -1.34 0.00 0.00 175.55 175.21 2wsf h LEU 112 N 8.99 -0.17 0.00 6.97 5.85 -1.86 -3.26 115.31 131.82 2wsf h LEU 112 Ca -0.15 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2wsf h LEU 112 Cb 1.07 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2wsf h LEU 112 CO 0.98 0.39 -0.61 1.57 -0.34 0.00 0.00 178.44 180.43 2wsf n HIS 113 N -4.91 0.00 0.00 1.25 -0.00 -0.83 -4.78 115.22 105.95 2wsf n HIS 113 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 2wsf n HIS 113 Cb 0.27 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.09 2wsf n HIS 113 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2wsf n PRO 114 N -1.33 0.00 0.00 1.57 -0.02 -1.26 -4.83 135.00 129.13 2wsf n PRO 114 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2wsf n PRO 114 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.62 2wsf n PRO 114 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wsf n LYS 115 N 0.00 0.00 -4.58 -0.52 4.76 -1.23 -4.76 118.16 111.83 2wsf n LYS 115 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 2wsf n LYS 115 Cb 0.00 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.02 2wsf n LYS 115 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2wsf s ASP 116 N 0.00 2.00 0.97 4.39 2.15 -1.26 -5.03 116.67 119.89 2wsf s ASP 116 Ca 0.00 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.64 2wsf s ASP 116 Cb 0.00 -0.91 0.00 0.00 -0.30 0.00 0.00 42.92 41.71 2wsf s ASP 116 CO 0.00 0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 2wsf n GLY 117 N 3.91 0.22 3.60 2.66 0.00 -1.26 -4.98 105.19 109.33 2wsf n GLY 117 Ca -0.21 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.87 2wsf n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wsf s VAL 118 N 0.00 0.00 0.00 1.61 1.01 -1.26 -5.01 120.40 116.75 2wsf s VAL 118 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2wsf s VAL 118 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.18 2wsf s VAL 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.10 2wsf n TYR 119 N -0.18 0.00 -0.17 5.22 9.36 -1.26 -4.94 117.16 125.19 2wsf n TYR 119 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 2wsf n TYR 119 Cb 0.59 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 2wsf n TYR 119 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 2wsf n PRO 120 N 0.00 0.00 0.00 2.98 -0.02 -1.26 -3.91 135.00 132.79 2wsf n PRO 120 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2wsf n PRO 120 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 33.50 33.31 2wsf n PRO 120 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wsf n GLU 121 N 0.72 0.00 -3.99 -0.52 0.28 -1.26 -5.19 120.64 110.68 2wsf n GLU 121 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 2wsf n GLU 121 Cb 0.08 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.91 2wsf n GLU 121 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2wsf n LYS 122 N 0.00 0.68 -3.84 3.44 -0.00 -1.25 -5.17 118.16 112.02 2wsf n LYS 122 Ca 0.00 -2.83 -0.28 0.00 -0.00 0.00 0.00 58.31 55.20 2wsf n LYS 122 Cb 0.00 2.69 -0.16 0.00 -0.00 0.00 0.00 35.03 37.56 2wsf n LYS 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2wsf s VAL 123 N -2.85 0.97 0.00 0.58 0.11 -1.26 -4.96 120.40 112.99 2wsf s VAL 123 Ca 0.30 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 2wsf s VAL 123 Cb -0.01 -1.28 0.00 0.00 -1.53 0.00 0.00 36.38 33.56 2wsf s VAL 123 CO 0.21 -0.04 0.00 0.59 -3.33 0.00 0.00 175.10 172.54 2wsf n ASN 124 N 4.90 0.00 -2.43 3.54 4.13 -1.26 -5.16 115.26 118.98 2wsf n ASN 124 Ca -0.11 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.11 2wsf n ASN 124 Cb 0.47 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.71 2wsf n ASN 124 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2wsf n PRO 125 N -1.08 1.44 -0.03 3.52 -0.04 -1.26 -5.10 135.00 132.44 2wsf n PRO 125 Ca 0.00 -0.53 -0.04 0.00 -0.04 0.00 0.00 63.50 62.89 2wsf n PRO 125 Cb 0.00 0.07 -0.05 0.00 -0.04 0.00 0.00 33.50 33.49 2wsf n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wsf n GLY 126 N 4.00 -0.24 5.00 0.55 0.00 -1.26 -5.04 105.19 108.19 2wsf n GLY 126 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2wsf n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wsf n ARG 127 N -2.39 0.00 0.00 1.61 5.12 -1.26 -4.62 116.66 115.12 2wsf n ARG 127 Ca -0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 2wsf n ARG 127 Cb 0.69 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.99 2wsf n ARG 127 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2wsf n GLN 128 N 0.00 0.00 0.00 5.56 -0.06 -1.26 -5.10 117.38 116.52 2wsf n GLN 128 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2wsf n GLN 128 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2wsf n GLN 128 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2wsf n GLY 129 N 0.00 0.28 5.95 1.69 0.00 -1.26 -4.91 105.19 106.94 2wsf n GLY 129 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 2wsf n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wsf n VAL 130 N 0.00 0.00 -1.07 1.61 0.31 -1.26 -4.90 118.33 113.02 2wsf n VAL 130 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wsf n VAL 130 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wsf n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wsf n GLY 131 N 0.00 -1.76 0.00 2.92 0.00 -1.26 -5.02 105.19 100.07 2wsf n GLY 131 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2wsf n GLY 131 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wsf n LEU 132 N -0.07 0.00 0.00 0.99 7.94 -1.26 -5.06 117.00 119.54 2wsf n LEU 132 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wsf n LEU 132 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wsf n LEU 132 CO 0.00 0.00 0.00 0.59 -1.11 0.00 0.00 177.39 176.87 2wsf n ASN 133 N 0.00 0.00 0.00 1.96 5.03 -1.26 -3.78 115.26 117.21 2wsf n ASN 133 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2wsf n ASN 133 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2wsf n ASN 133 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 2wsf n MET 134 N 14.00 0.00 -3.21 3.52 2.81 -1.26 -4.93 117.12 128.04 2wsf n MET 134 Ca 0.00 0.26 -0.28 0.00 -1.81 0.00 0.00 57.70 55.88 2wsf n MET 134 Cb 0.00 -0.79 -0.02 0.00 -0.71 0.00 0.00 33.22 31.70 2wsf n MET 134 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 2wsf s ARG 135 N -0.60 3.60 0.44 0.03 1.04 -1.26 -5.13 118.95 117.07 2wsf s ARG 135 Ca 0.00 -0.01 -0.02 0.00 -1.04 0.00 0.00 55.73 54.67 2wsf s ARG 135 Cb 0.00 -2.59 0.09 0.00 -2.04 0.00 0.00 34.95 30.41 2wsf s ARG 135 CO 0.00 0.12 0.60 0.43 -0.04 0.00 0.00 175.30 176.41 2wsf n SER 136 N -1.32 0.65 0.11 -2.89 7.64 -1.25 -4.86 113.62 111.70 2wsf n SER 136 Ca -0.02 -1.58 0.20 0.00 1.01 0.00 0.00 58.87 58.48 2wsf n SER 136 Cb 0.55 -0.40 0.74 0.00 -1.01 0.00 0.00 64.21 64.08 2wsf n SER 136 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2wsf h ILE 137 N -0.66 0.31 -1.60 0.44 2.04 -1.98 -3.43 117.51 112.63 2wsf h ILE 137 Ca -0.20 0.00 -0.58 0.00 1.00 0.00 0.00 64.86 65.08 2wsf h ILE 137 Cb 0.69 0.62 0.15 0.00 -0.74 0.00 0.00 36.82 37.53 2wsf h ILE 137 CO 0.20 0.00 -0.91 0.61 0.00 0.00 0.00 178.15 178.05 2wsf n GLY 138 N -1.46 -2.61 0.00 5.37 0.00 -1.26 -4.08 105.19 101.15 2wsf n GLY 138 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2wsf n GLY 138 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wsf n LYS 139 N 1.27 0.00 -1.05 1.61 4.81 -1.26 -4.74 118.16 118.79 2wsf n LYS 139 Ca 0.10 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.36 2wsf n LYS 139 Cb 0.38 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.30 2wsf n LYS 139 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2wsf n ASN 140 N 0.00 5.97 0.07 3.14 6.94 -1.26 -3.37 115.26 126.76 2wsf n ASN 140 Ca 0.00 -2.48 -0.10 0.00 -0.02 0.00 0.00 54.58 51.98 2wsf n ASN 140 Cb 0.00 -1.43 -0.13 0.00 -2.36 0.00 0.00 39.78 35.87 2wsf n ASN 140 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 2wsf h VAL 141 N 2.26 1.65 -0.19 3.53 -1.51 -1.95 -3.42 116.25 116.63 2wsf h VAL 141 Ca 0.35 -3.32 -0.75 0.00 -1.23 0.00 0.00 66.70 61.75 2wsf h VAL 141 Cb 1.19 2.88 -0.04 0.00 -2.13 0.00 0.00 31.29 33.19 2wsf h VAL 141 CO 0.61 0.95 1.34 -1.54 -1.23 0.00 0.00 177.57 177.70 2wsf n SER 142 N -3.40 0.99 -1.57 4.19 3.41 -1.22 -4.95 113.62 111.07 2wsf n SER 142 Ca -0.03 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2wsf n SER 142 Cb 0.97 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wsf n SER 142 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2wsf n PRO 143 N 7.63 3.37 -2.63 4.33 -0.02 -1.26 -4.97 135.00 141.44 2wsf n PRO 143 Ca 0.53 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2wsf n PRO 143 Cb 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 2wsf n PRO 143 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2wsf s ILE 144 N 0.00 4.55 0.00 4.25 -5.25 -1.26 -5.04 121.20 118.45 2wsf s ILE 144 Ca 0.00 1.89 0.00 0.00 -0.99 0.00 0.00 60.65 61.55 2wsf s ILE 144 Cb 0.00 -4.21 0.00 0.00 2.95 0.00 0.00 42.46 41.20 2wsf s ILE 144 CO 0.00 0.18 0.00 -0.62 -1.79 0.00 0.00 174.94 172.71 2wsf n GLU 145 N 3.62 0.28 -0.96 0.37 -0.58 -1.26 -5.01 120.64 117.11 2wsf n GLU 145 Ca 0.06 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.44 2wsf n GLU 145 Cb 0.49 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.42 2wsf n GLU 145 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2wsf n VAL 146 N 0.00 0.00 0.71 2.62 0.24 -1.26 -4.79 118.33 115.86 2wsf n VAL 146 Ca 0.00 -0.37 0.02 0.00 -2.04 0.00 0.00 64.34 61.95 2wsf n VAL 146 Cb 0.00 -0.12 0.09 0.00 -1.47 0.00 0.00 33.84 32.34 2wsf n VAL 146 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wsf n LYS 147 N 1.68 1.79 -2.40 7.34 5.02 -1.26 -4.88 118.16 125.45 2wsf n LYS 147 Ca -0.01 -0.68 -0.04 0.00 -2.02 0.00 0.00 58.31 55.57 2wsf n LYS 147 Cb 0.59 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 2wsf n LYS 147 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wsf n PHE 148 N 0.11 -4.21 -3.67 2.13 7.35 -1.26 -5.10 117.46 112.82 2wsf n PHE 148 Ca 0.06 2.47 -0.08 0.00 -0.76 0.00 0.00 57.45 59.14 2wsf n PHE 148 Cb 0.41 -3.71 -0.09 0.00 0.35 0.00 0.00 39.48 36.45 2wsf n PHE 148 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2wsf s THR 149 N -0.58 -0.36 -0.16 -2.13 2.01 -1.26 -5.08 115.64 108.08 2wsf s THR 149 Ca -0.18 0.09 -0.13 0.00 0.31 0.00 0.00 61.69 61.77 2wsf s THR 149 Cb 0.01 -0.75 -0.15 0.00 0.01 0.00 0.00 72.50 71.62 2wsf s THR 149 CO 0.49 0.04 1.40 0.61 -0.69 0.00 0.00 174.62 176.46 2wsf n GLY 150 N 4.81 1.48 0.06 4.40 0.00 -1.26 -3.25 105.19 111.43 2wsf n GLY 150 Ca -0.16 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2wsf n GLY 150 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wsf n LYS 151 N 6.15 0.00 -3.39 1.61 2.85 -1.26 -5.14 118.16 118.99 2wsf n LYS 151 Ca 0.25 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.38 2wsf n LYS 151 Cb 0.20 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.48 2wsf n LYS 151 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 2wsf s GLN 152 N 0.00 0.32 0.00 -1.58 0.00 -1.20 -5.07 119.66 112.13 2wsf s GLN 152 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 55.36 55.54 2wsf s GLN 152 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 33.01 32.35 2wsf s GLN 152 CO 0.00 -0.83 0.00 -2.30 0.00 0.00 0.00 175.29 172.16 2wsf n PRO 153 N 5.34 0.00 -2.79 9.60 -0.02 -1.26 -4.75 135.00 141.11 2wsf n PRO 153 Ca -0.03 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.14 2wsf n PRO 153 Cb 0.49 -0.03 -0.02 0.00 -0.02 0.00 0.00 33.50 33.92 2wsf n PRO 153 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2wsf n TYR 154 N 0.08 3.60 -3.09 6.00 -0.00 -1.26 -4.73 117.16 117.76 2wsf n TYR 154 Ca 0.00 -3.46 -0.23 0.00 -0.00 0.00 0.00 57.90 54.20 2wsf n TYR 154 Cb 0.00 -0.70 -0.04 0.00 -0.00 0.00 0.00 39.34 38.59 2wsf n TYR 154 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 2wsf n ASP 155 N -0.21 2.74 0.00 2.98 8.00 -1.26 -5.07 116.55 123.72 2wsf n ASP 155 Ca 0.37 -3.34 0.00 0.00 0.71 0.00 0.00 54.79 52.53 2wsf n ASP 155 Cb 0.36 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 2wsf n ASP 155 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70