#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsf n TYR 2 N 0.00 -0.51 0.25 2.11 4.01 -1.26 0.33 117.16 122.09 2wsf n TYR 2 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 2wsf n TYR 2 Cb 0.00 0.15 0.63 0.00 -0.31 0.00 0.00 39.34 39.80 2wsf n TYR 2 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 2wsf h ILE 3 N 0.00 0.45 0.00 -0.72 -0.00 -2.04 -2.41 117.51 112.78 2wsf h ILE 3 Ca 0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 64.86 64.09 2wsf h ILE 3 Cb 0.00 1.54 0.00 0.00 -0.00 0.00 0.00 36.82 38.36 2wsf h ILE 3 CO 0.00 0.14 0.00 0.61 -0.00 0.00 0.00 178.15 178.90 2wsf n GLY 4 N -0.23 -0.58 0.11 8.18 0.00 -0.90 -1.15 105.19 110.62 2wsf n GLY 4 Ca -0.01 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 2wsf n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wsf h SER 5 N 0.00 0.24 0.14 1.61 4.64 0.41 0.84 113.55 121.43 2wsf h SER 5 Ca 0.00 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 2wsf h SER 5 Cb 0.08 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wsf h SER 5 CO 0.00 1.41 0.00 -1.20 -0.87 0.00 0.00 176.83 176.17 2wsf n SER 6 N -4.21 0.00 -0.02 4.97 7.64 -0.76 -0.86 113.62 120.38 2wsf n SER 6 Ca -0.21 0.18 0.06 0.00 1.01 0.00 0.00 58.87 59.91 2wsf n SER 6 Cb 0.75 -0.29 -0.14 0.00 -1.01 0.00 0.00 64.21 63.52 2wsf n SER 6 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wsf n THR 7 N -1.29 0.20 -0.00 0.44 -1.04 -0.30 -3.76 114.28 108.53 2wsf n THR 7 Ca 0.04 -0.47 0.03 0.00 -2.04 0.00 0.00 64.05 61.60 2wsf n THR 7 Cb 0.06 -0.03 0.39 0.00 -1.82 0.00 0.00 70.33 68.94 2wsf n THR 7 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2wsf h ASN 8 N 0.00 0.48 1.60 8.00 2.35 0.27 0.37 115.58 128.65 2wsf h ASN 8 Ca -0.08 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2wsf h ASN 8 Cb 1.04 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2wsf h ASN 8 CO 0.00 0.40 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.10 2wsf h LEU 9 N 0.54 0.00 0.00 1.61 3.38 -1.64 -3.18 115.31 116.02 2wsf h LEU 9 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wsf h LEU 9 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2wsf h LEU 9 CO -0.02 0.00 0.00 -0.38 0.09 0.00 0.00 178.44 178.13 2wsf n ILE 10 N -2.48 0.09 -0.23 1.22 -0.00 0.10 -2.15 119.36 115.90 2wsf n ILE 10 Ca 0.05 0.02 0.06 0.00 -0.00 0.00 0.00 62.75 62.88 2wsf n ILE 10 Cb 0.46 -0.55 0.31 0.00 -0.00 0.00 0.00 39.64 39.86 2wsf n ILE 10 CO 0.00 0.00 0.00 -0.03 -0.00 0.00 0.00 176.55 176.52 2wsf h MET 11 N 0.00 0.83 -0.70 0.38 4.05 -1.47 -1.19 114.93 116.82 2wsf h MET 11 Ca 0.00 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2wsf h MET 11 Cb 0.45 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 2wsf h MET 11 CO 0.00 0.55 0.43 0.28 0.23 0.00 0.00 176.91 178.39 2wsf h VAL 12 N 0.85 1.20 0.00 -5.77 2.07 -1.66 0.65 116.25 113.59 2wsf h VAL 12 Ca 0.35 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2wsf h VAL 12 Cb 0.27 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2wsf h VAL 12 CO -0.13 0.21 0.00 0.71 0.02 0.00 0.00 177.57 178.38 2wsf h THR 13 N 0.96 0.00 0.00 2.57 1.35 -1.31 -1.05 112.91 115.42 2wsf h THR 13 Ca 0.25 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 66.01 2wsf h THR 13 Cb -0.04 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 67.16 2wsf h THR 13 CO -0.05 0.00 -0.44 1.07 -0.25 0.00 0.00 175.52 175.86 2wsf n THR 14 N -2.49 1.32 -0.24 6.82 5.66 -1.18 -4.36 114.28 119.82 2wsf n THR 14 Ca -0.01 0.29 -0.06 0.00 -3.05 0.00 0.00 64.05 61.22 2wsf n THR 14 Cb 0.11 -1.89 0.04 0.00 -1.55 0.00 0.00 70.33 67.04 2wsf n THR 14 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 2wsf h THR 15 N -0.40 1.22 0.01 1.09 1.35 -0.88 1.02 112.91 116.32 2wsf h THR 15 Ca -0.01 -0.63 -0.20 0.00 -0.55 0.00 0.00 66.41 65.02 2wsf h THR 15 Cb 0.43 0.41 -0.01 0.00 -1.73 0.00 0.00 68.15 67.25 2wsf h THR 15 CO -0.01 0.26 -0.91 0.74 -0.25 0.00 0.00 175.52 175.35 2wsf h THR 16 N 0.92 1.52 -0.91 6.82 2.02 -1.33 0.27 112.91 122.21 2wsf h THR 16 Ca 0.23 -2.72 0.08 0.00 0.77 0.00 0.00 66.41 64.77 2wsf h THR 16 Cb 0.12 2.53 -0.07 0.00 -1.74 0.00 0.00 68.15 68.99 2wsf h THR 16 CO -0.03 0.79 0.56 0.25 0.37 0.00 0.00 175.52 177.46 2wsf h LEU 17 N 0.09 0.85 0.16 2.58 6.46 -0.84 -1.63 115.31 122.99 2wsf h LEU 17 Ca -0.05 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2wsf h LEU 17 Cb 1.56 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.35 2wsf h LEU 17 CO 0.14 0.51 -0.08 0.24 -0.62 0.00 0.00 178.44 178.63 2wsf h MET 18 N 0.97 -0.21 0.00 1.25 2.86 0.13 -3.22 114.93 116.71 2wsf h MET 18 Ca 0.42 0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.94 2wsf h MET 18 Cb 0.29 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2wsf h MET 18 CO -0.21 -0.14 -0.62 1.25 1.06 0.00 0.00 176.91 178.24 2wsf h LEU 19 N -0.86 0.00 -0.26 1.22 6.46 -0.54 -1.57 115.31 119.77 2wsf h LEU 19 Ca -0.02 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.54 2wsf h LEU 19 Cb 0.17 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 2wsf h LEU 19 CO 0.04 0.62 -0.89 0.15 -0.62 0.00 0.00 178.44 177.74 2wsf h PHE 20 N 0.00 0.24 -0.04 1.25 3.57 -1.48 -0.87 116.94 119.62 2wsf h PHE 20 Ca -0.01 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2wsf h PHE 20 Cb 1.32 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2wsf h PHE 20 CO 0.00 0.96 0.00 0.00 -2.23 0.00 0.00 178.31 177.04 2wsf n ALA 21 N -2.45 2.54 -0.90 2.41 0.00 -1.02 -4.46 120.51 116.62 2wsf n ALA 21 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2wsf n ALA 21 Cb 0.82 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.27 2wsf n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsf n GLY 22 N 0.30 1.40 0.25 0.00 0.00 -0.33 -4.40 105.19 102.40 2wsf n GLY 22 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 2wsf n GLY 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wsf h ARG 23 N 0.00 -0.02 -0.72 1.61 2.43 -1.78 -2.13 114.38 113.77 2wsf h ARG 23 Ca 0.00 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 2wsf h ARG 23 Cb 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.46 2wsf h ARG 23 CO 0.00 -0.01 0.23 0.35 -1.51 0.00 0.00 179.97 179.03 2wsf h PHE 24 N -0.02 0.39 0.00 2.20 3.04 -1.86 0.53 116.94 121.22 2wsf h PHE 24 Ca 0.29 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.28 2wsf h PHE 24 Cb 0.47 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.92 2wsf h PHE 24 CO -0.52 0.00 0.00 0.41 -2.02 0.00 0.00 178.31 176.18 2wsf n GLY 25 N -1.33 -0.90 0.00 2.40 0.00 -0.80 -2.30 105.19 102.26 2wsf n GLY 25 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2wsf n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wsf n LEU 26 N -1.34 0.38 0.00 0.99 0.00 -0.56 -4.96 117.00 111.52 2wsf n LEU 26 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 56.01 55.57 2wsf n LEU 26 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.57 2wsf n LEU 26 CO 0.14 0.09 0.05 0.00 0.00 0.00 0.00 177.39 177.67 2wsf n ALA 27 N -0.28 0.00 -1.23 1.96 0.00 0.18 -3.49 120.51 117.65 2wsf n ALA 27 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2wsf n ALA 27 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 2wsf n ALA 27 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wsf n PRO 28 N -0.11 2.12 0.00 0.00 -0.02 -1.26 -4.83 135.00 130.90 2wsf n PRO 28 Ca 0.00 -1.98 0.00 0.00 -2.02 0.00 0.00 63.50 59.50 2wsf n PRO 28 Cb 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 30.57 2wsf n PRO 28 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wsf n SER 29 N 6.20 0.00 -4.12 2.55 2.88 -1.23 -4.74 113.62 115.16 2wsf n SER 29 Ca 0.51 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.77 2wsf n SER 29 Cb 0.33 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.75 2wsf n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wsf n ALA 30 N -3.00 -1.91 0.08 -1.46 0.00 -1.26 -4.80 120.51 108.16 2wsf n ALA 30 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2wsf n ALA 30 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2wsf n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2wsf n ASN 31 N -2.91 -0.03 0.00 0.00 2.85 -1.26 -5.10 115.26 108.81 2wsf n ASN 31 Ca -0.27 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 2wsf n ASN 31 Cb 0.66 0.20 0.00 0.00 1.24 0.00 0.00 39.78 41.89 2wsf n ASN 31 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2wsf n ARG 32 N -3.10 0.00 0.00 1.20 3.00 -1.26 -4.70 116.66 111.81 2wsf n ARG 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2wsf n ARG 32 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.48 2wsf n ARG 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wsf n LYS 33 N 0.00 2.88 -1.34 5.56 5.02 -1.26 -5.08 118.16 123.94 2wsf n LYS 33 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 2wsf n LYS 33 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 2wsf n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wsf n ALA 34 N -3.00 -2.80 -2.00 7.82 0.00 -1.26 -5.11 120.51 114.15 2wsf n ALA 34 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.13 2wsf n ALA 34 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2wsf n ALA 34 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2wsf n THR 35 N -3.50 0.00 -0.03 0.00 5.66 -1.26 -5.04 114.28 110.11 2wsf n THR 35 Ca -0.05 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.91 2wsf n THR 35 Cb 0.55 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.29 2wsf n THR 35 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wsf n ALA 36 N -3.00 1.86 0.79 1.79 0.00 -1.26 -4.70 120.51 115.98 2wsf n ALA 36 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2wsf n ALA 36 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2wsf n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsf n GLY 37 N 2.84 1.41 0.00 0.00 0.00 -1.26 -4.63 105.19 103.56 2wsf n GLY 37 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2wsf n GLY 37 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wsf n LEU 38 N 0.40 0.00 -4.18 0.99 7.94 -1.26 -5.10 117.00 115.78 2wsf n LEU 38 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 2wsf n LEU 38 Cb 0.31 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.27 2wsf n LEU 38 CO 0.00 0.00 1.62 0.29 -1.11 0.00 0.00 177.39 178.19 2wsf n LYS 39 N 0.00 3.53 -1.48 1.96 4.01 -1.26 -4.77 118.16 120.15 2wsf n LYS 39 Ca 0.00 -3.75 0.00 0.00 -0.51 0.00 0.00 58.31 54.05 2wsf n LYS 39 Cb 0.00 -2.96 0.00 0.00 -0.51 0.00 0.00 35.03 31.56 2wsf n LYS 39 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2wsf n LEU 40 N 4.61 -1.97 0.00 -0.35 -0.00 -1.26 -5.08 117.00 112.96 2wsf n LEU 40 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.38 2wsf n LEU 40 Cb 0.39 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 42.83 2wsf n LEU 40 CO 0.71 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 179.31 2wsf n GLU 41 N -0.13 0.00 -4.18 1.96 2.13 -1.26 -5.10 120.64 114.06 2wsf n GLU 41 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 2wsf n GLU 41 Cb 0.00 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.54 2wsf n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wsf s ALA 42 N 0.00 1.02 0.00 4.31 0.00 -1.26 -4.84 121.76 120.99 2wsf s ALA 42 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2wsf s ALA 42 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2wsf s ALA 42 CO 0.00 -0.13 0.00 0.54 0.00 0.00 0.00 175.76 176.17 2wsf n ARG 43 N 4.33 0.00 0.00 0.00 3.00 -1.26 -5.16 116.66 117.57 2wsf n ARG 43 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.65 2wsf n ARG 43 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 2wsf n ARG 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2wsf n GLU 44 N 0.00 0.00 -0.03 5.56 4.07 -1.26 -4.93 120.64 124.05 2wsf n GLU 44 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wsf n GLU 44 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 2wsf n GLU 44 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2wsf n SER 45 N 6.70 -0.03 0.00 4.31 7.64 -1.26 -2.92 113.62 128.06 2wsf n SER 45 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2wsf n SER 45 Cb 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2wsf n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wsf n GLY 46 N -1.05 0.17 0.00 0.23 0.00 -1.26 -5.07 105.19 98.21 2wsf n GLY 46 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2wsf n GLY 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wsf n LEU 47 N -1.21 0.00 0.00 0.99 4.77 -1.15 -4.98 117.00 115.43 2wsf n LEU 47 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wsf n LEU 47 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wsf n LEU 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 2wsf n GLN 48 N 0.00 0.00 -4.19 3.23 6.02 -1.26 -5.16 117.38 116.02 2wsf n GLN 48 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 2wsf n GLN 48 Cb 0.00 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.12 2wsf n GLN 48 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2wsf s THR 49 N 0.00 3.35 -0.30 5.09 2.01 -1.26 -5.01 115.64 119.52 2wsf s THR 49 Ca 0.00 -0.52 -0.19 0.00 0.31 0.00 0.00 61.69 61.30 2wsf s THR 49 Cb 0.00 -2.49 0.20 0.00 0.01 0.00 0.00 72.50 70.22 2wsf s THR 49 CO 0.00 0.46 1.26 -0.83 -0.69 0.00 0.00 174.62 174.82 2wsf s GLY 50 N 1.04 0.31 0.00 4.40 0.00 -1.26 -5.19 107.32 106.62 2wsf s GLY 50 Ca 0.00 3.65 0.00 0.00 0.00 0.00 0.00 44.72 48.37 2wsf s GLY 50 CO -0.00 3.27 0.00 1.34 0.00 0.00 0.00 173.10 177.70 2wsf n ASP 51 N 4.33 0.00 0.00 1.64 -0.08 -1.26 -4.56 116.55 116.62 2wsf n ASP 51 Ca -0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 2wsf n ASP 51 Cb 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 2wsf n ASP 51 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2wsf n PRO 52 N 0.00 0.00 -0.10 -0.67 -0.02 -1.26 -2.98 135.00 129.97 2wsf n PRO 52 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 2wsf n PRO 52 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 2wsf n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wsf h ALA 53 N 0.00 -0.62 -0.24 3.55 0.00 -1.92 -3.00 119.26 117.03 2wsf h ALA 53 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2wsf h ALA 53 Cb 0.00 0.97 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 2wsf h ALA 53 CO 0.00 -0.96 -0.35 0.78 0.00 0.00 0.00 179.25 178.72 2wsf h GLY 54 N -0.41 -0.43 0.05 0.00 0.00 -1.78 -2.93 103.07 97.57 2wsf h GLY 54 Ca 0.10 0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.86 2wsf h GLY 54 CO -0.54 -0.21 -0.00 0.74 0.00 0.00 0.00 176.54 176.52 2wsf h PHE 55 N -0.36 -0.01 0.01 5.60 -1.00 -1.82 -3.29 116.94 116.06 2wsf h PHE 55 Ca 0.12 -0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.70 2wsf h PHE 55 Cb 0.56 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 2wsf h PHE 55 CO -0.48 0.75 -0.89 0.00 -1.61 0.00 0.00 178.31 176.08 2wsf h THR 56 N -0.96 1.53 0.00 -1.55 1.03 -1.64 -2.44 112.91 108.87 2wsf h THR 56 Ca -0.00 -2.73 0.00 0.00 -0.01 0.00 0.00 66.41 63.67 2wsf h THR 56 Cb 0.77 2.53 0.00 0.00 -1.07 0.00 0.00 68.15 70.37 2wsf h THR 56 CO 0.00 0.79 0.00 -0.07 -0.01 0.00 0.00 175.52 176.23 2wsf h LEU 57 N 0.08 0.00 0.00 0.00 3.38 -1.70 0.63 115.31 117.69 2wsf h LEU 57 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2wsf h LEU 57 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2wsf h LEU 57 CO 0.13 0.00 -0.42 0.00 0.09 0.00 0.00 178.44 178.24 2wsf h ALA 58 N 2.10 0.73 0.00 1.53 0.00 -1.52 -3.36 119.26 118.75 2wsf h ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wsf h ALA 58 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wsf h ALA 58 CO 0.00 0.00 -0.28 0.22 0.00 0.00 0.00 179.25 179.19 2wsf h ASP 59 N 0.00 0.00 -0.68 0.00 1.82 -0.49 -2.69 116.42 114.37 2wsf h ASP 59 Ca 0.00 -0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.52 2wsf h ASP 59 Cb 0.78 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 2wsf h ASP 59 CO 0.00 0.02 0.13 0.74 -1.61 0.00 0.00 179.24 178.52 2wsf h THR 60 N 0.00 1.26 -0.51 2.25 2.02 -1.70 -0.75 112.91 115.48 2wsf h THR 60 Ca 0.00 -1.01 -0.12 0.00 0.77 0.00 0.00 66.41 66.05 2wsf h THR 60 Cb 0.87 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2wsf h THR 60 CO 0.00 0.39 -0.14 0.25 0.37 0.00 0.00 175.52 176.38 2wsf h LEU 61 N 1.05 1.01 -1.14 2.58 5.85 -1.78 -3.26 115.31 119.62 2wsf h LEU 61 Ca 0.21 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2wsf h LEU 61 Cb 0.41 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2wsf h LEU 61 CO 0.01 1.15 0.58 0.00 -0.34 0.00 0.00 178.44 179.84 2wsf h ALA 62 N 0.90 1.42 -0.02 1.25 0.00 -1.08 0.01 119.26 121.74 2wsf h ALA 62 Ca 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wsf h ALA 62 Cb 0.72 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2wsf h ALA 62 CO 0.05 0.51 0.03 0.00 0.00 0.00 0.00 179.25 179.84 2wsf n GLY 64 N -1.29 2.81 0.05 0.00 0.00 -0.02 -4.55 105.19 102.20 2wsf n GLY 64 Ca -0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 2wsf n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsf h ALA 65 N 3.86 -0.04 0.00 4.61 0.00 -1.12 -3.35 119.26 123.22 2wsf h ALA 65 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2wsf h ALA 65 Cb 1.80 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 2wsf h ALA 65 CO 0.42 -0.04 -1.59 0.28 0.00 0.00 0.00 179.25 178.33 2wsf n VAL 66 N -4.12 1.41 1.18 0.00 0.31 -1.26 -3.32 118.33 112.52 2wsf n VAL 66 Ca -0.00 -0.75 0.12 0.00 -0.01 0.00 0.00 64.34 63.70 2wsf n VAL 66 Cb 0.01 -0.89 0.63 0.00 -0.91 0.00 0.00 33.84 32.68 2wsf n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wsf n GLY 67 N 1.48 -1.10 3.72 2.92 0.00 -1.26 -4.73 105.19 106.23 2wsf n GLY 67 Ca -0.14 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2wsf n GLY 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wsf s HIS 68 N -2.56 2.05 0.00 1.61 5.04 -1.21 -2.78 115.29 117.44 2wsf s HIS 68 Ca 0.24 1.57 0.00 0.00 -1.54 0.00 0.00 55.06 55.33 2wsf s HIS 68 Cb 0.17 -3.53 0.00 0.00 0.04 0.00 0.00 32.58 29.26 2wsf s HIS 68 CO 0.38 -2.69 0.00 1.51 -2.34 0.00 0.00 174.74 171.59 2wsf n ILE 69 N -2.51 0.00 -0.20 0.89 0.00 -1.26 -4.55 119.36 111.73 2wsf n ILE 69 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 62.75 62.80 2wsf n ILE 69 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 39.64 40.16 2wsf n ILE 69 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 2wsf h MET 70 N 0.00 1.00 0.16 9.51 2.86 -1.84 -3.00 114.93 123.63 2wsf h MET 70 Ca 0.00 -0.31 -0.30 0.00 -2.06 0.00 0.00 59.70 57.03 2wsf h MET 70 Cb 0.00 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.57 2wsf h MET 70 CO 0.00 0.99 -1.40 0.78 1.06 0.00 0.00 176.91 178.33 2wsf h GLY 71 N 0.90 0.39 -0.21 8.32 0.00 -1.76 -3.45 103.07 107.26 2wsf h GLY 71 Ca 0.17 -0.99 -0.08 0.00 0.00 0.00 0.00 47.33 46.42 2wsf h GLY 71 CO 0.03 0.87 -0.02 1.55 0.00 0.00 0.00 176.54 178.96 2wsf n VAL 72 N -3.56 0.00 -1.14 4.60 3.14 -1.13 -4.67 118.33 115.56 2wsf n VAL 72 Ca -0.13 -0.03 -0.26 0.00 -2.96 0.00 0.00 64.34 60.95 2wsf n VAL 72 Cb 1.05 -0.46 -0.14 0.00 -1.06 0.00 0.00 33.84 33.23 2wsf n VAL 72 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wsf n GLY 73 N -0.67 -0.38 3.66 7.55 0.00 -1.26 -4.60 105.19 109.50 2wsf n GLY 73 Ca 0.03 0.56 -0.47 0.00 0.00 0.00 0.00 46.02 46.14 2wsf n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wsf n ILE 74 N 5.17 0.58 -1.36 -0.61 5.41 -1.26 -4.68 119.36 122.61 2wsf n ILE 74 Ca 0.51 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 64.12 2wsf n ILE 74 Cb 0.05 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 37.01 2wsf n ILE 74 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2wsf n VAL 75 N 5.48 0.00 -4.00 1.39 0.24 -1.26 -5.08 118.33 115.10 2wsf n VAL 75 Ca 0.24 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.44 2wsf n VAL 75 Cb 0.32 -0.12 -0.05 0.00 -1.47 0.00 0.00 33.84 32.51 2wsf n VAL 75 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wsf s LEU 76 N -0.66 0.35 0.19 1.34 2.96 -1.26 -5.16 118.68 116.44 2wsf s LEU 76 Ca 0.00 -0.96 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 2wsf s LEU 76 Cb 0.00 1.76 0.00 0.00 0.50 0.00 0.00 46.19 48.45 2wsf s LEU 76 CO 0.00 -1.15 0.00 0.61 -1.32 0.00 0.00 176.35 174.49 2wsf n GLY 77 N -0.39 -2.07 3.06 7.98 0.00 -1.26 -4.75 105.19 107.77 2wsf n GLY 77 Ca -0.02 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 2wsf n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wsf s LEU 78 N -5.50 5.09 -0.08 0.99 1.43 -1.26 -4.90 118.68 114.45 2wsf s LEU 78 Ca 0.00 -3.02 -0.01 0.00 -1.03 0.00 0.00 54.13 50.06 2wsf s LEU 78 Cb 0.00 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.41 2wsf s LEU 78 CO 0.00 -0.31 0.03 0.29 0.23 0.00 0.00 176.35 176.59 2wsf n LYS 79 N 3.22 -1.68 0.00 1.70 5.02 -1.26 -4.75 118.16 120.41 2wsf n LYS 79 Ca 0.09 1.61 0.00 0.00 -2.02 0.00 0.00 58.31 57.99 2wsf n LYS 79 Cb 0.37 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 2wsf n LYS 79 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2wsf n ASN 80 N 1.54 0.00 -0.02 4.39 2.85 -1.26 -1.59 115.26 121.17 2wsf n ASN 80 Ca -0.05 0.35 0.07 0.00 -0.11 0.00 0.00 54.58 54.84 2wsf n ASN 80 Cb 0.30 -0.35 -0.15 0.00 1.24 0.00 0.00 39.78 40.81 2wsf n ASN 80 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2wsf n THR 81 N -1.35 0.20 0.00 -0.44 -2.24 -1.26 -5.01 114.28 104.18 2wsf n THR 81 Ca 0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2wsf n THR 81 Cb 0.00 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 2wsf n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wsf n GLY 82 N 1.45 2.86 3.77 3.38 0.00 -0.62 -5.01 105.19 111.02 2wsf n GLY 82 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2wsf n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wsf s VAL 83 N -1.30 3.02 0.00 1.61 1.01 -1.26 -5.11 120.40 118.38 2wsf s VAL 83 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2wsf s VAL 83 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2wsf s VAL 83 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.28