#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsc n TYR 2 N 0.00 -0.50 0.26 2.11 4.01 -1.26 0.33 117.16 122.11 2wsc n TYR 2 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 2wsc n TYR 2 Cb 0.00 0.14 0.65 0.00 -0.31 0.00 0.00 39.34 39.82 2wsc n TYR 2 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 2wsc h ILE 3 N 0.00 0.31 0.00 -0.72 -0.00 -2.04 -2.52 117.51 112.55 2wsc h ILE 3 Ca 0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 64.86 64.16 2wsc h ILE 3 Cb 0.00 1.53 0.00 0.00 -0.00 0.00 0.00 36.82 38.35 2wsc h ILE 3 CO 0.00 0.10 0.00 0.61 -0.00 0.00 0.00 178.15 178.86 2wsc n GLY 4 N -0.15 -0.63 0.11 8.18 0.00 -0.94 -1.29 105.19 110.47 2wsc n GLY 4 Ca -0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 2wsc n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wsc h SER 5 N 0.00 0.30 0.07 1.61 4.64 0.35 0.81 113.55 121.32 2wsc h SER 5 Ca 0.00 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 2wsc h SER 5 Cb 0.10 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wsc h SER 5 CO 0.00 1.45 0.00 -1.20 -0.87 0.00 0.00 176.83 176.21 2wsc n SER 6 N -4.15 0.00 -0.01 4.97 7.64 -0.82 -0.99 113.62 120.27 2wsc n SER 6 Ca -0.21 -0.20 0.07 0.00 1.01 0.00 0.00 58.87 59.54 2wsc n SER 6 Cb 0.79 -0.09 -0.11 0.00 -1.01 0.00 0.00 64.21 63.78 2wsc n SER 6 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wsc n THR 7 N -1.09 0.00 0.03 0.44 -1.04 -0.41 -3.93 114.28 108.27 2wsc n THR 7 Ca 0.08 -0.32 0.02 0.00 -2.04 0.00 0.00 64.05 61.78 2wsc n THR 7 Cb 0.06 0.19 0.37 0.00 -1.82 0.00 0.00 70.33 69.12 2wsc n THR 7 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2wsc h ASN 8 N 0.00 0.42 1.44 8.00 2.35 0.24 -0.69 115.58 127.35 2wsc h ASN 8 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2wsc h ASN 8 Cb 0.65 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2wsc h ASN 8 CO 0.00 0.43 0.00 0.18 -1.65 0.00 0.00 177.43 176.39 2wsc n LEU 9 N -4.36 0.79 -0.11 1.61 4.77 -1.03 -3.24 117.00 115.44 2wsc n LEU 9 Ca 0.02 0.58 0.14 0.00 -0.03 0.00 0.00 56.01 56.72 2wsc n LEU 9 Cb 0.17 -0.33 0.65 0.00 -2.33 0.00 0.00 43.42 41.58 2wsc n LEU 9 CO 0.37 -0.19 0.91 -0.38 -1.33 0.00 0.00 177.39 176.77 2wsc n ILE 10 N -2.24 0.00 -0.27 -0.08 -0.00 -0.28 -2.31 119.36 114.17 2wsc n ILE 10 Ca 0.06 -0.06 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2wsc n ILE 10 Cb 0.42 -0.15 0.21 0.00 -0.00 0.00 0.00 39.64 40.12 2wsc n ILE 10 CO 0.00 0.00 0.00 -0.03 -0.00 0.00 0.00 176.55 176.52 2wsc h MET 11 N 0.52 1.08 -0.85 0.38 4.05 -1.49 -2.25 114.93 116.37 2wsc h MET 11 Ca 0.00 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2wsc h MET 11 Cb 0.33 -0.24 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 2wsc h MET 11 CO 0.00 0.71 0.54 0.28 0.23 0.00 0.00 176.91 178.67 2wsc h VAL 12 N 1.11 1.23 0.00 -5.77 2.07 -1.69 0.99 116.25 114.19 2wsc h VAL 12 Ca 0.32 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2wsc h VAL 12 Cb -0.09 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.69 2wsc h VAL 12 CO -0.08 0.23 0.00 0.71 0.02 0.00 0.00 177.57 178.46 2wsc h THR 13 N 1.17 0.00 0.00 2.57 1.35 -1.51 -1.27 112.91 115.22 2wsc h THR 13 Ca 0.31 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 2wsc h THR 13 Cb -0.08 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 2wsc h THR 13 CO -0.06 0.00 -0.51 1.07 -0.25 0.00 0.00 175.52 175.77 2wsc n THR 14 N -2.73 1.26 -0.28 6.82 5.66 -1.17 -4.34 114.28 119.51 2wsc n THR 14 Ca -0.01 0.26 -0.05 0.00 -3.05 0.00 0.00 64.05 61.21 2wsc n THR 14 Cb 0.17 -1.95 0.06 0.00 -1.55 0.00 0.00 70.33 67.06 2wsc n THR 14 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 2wsc h THR 15 N -0.51 1.22 0.00 1.09 1.35 -0.85 0.95 112.91 116.16 2wsc h THR 15 Ca 0.00 -0.53 -0.19 0.00 -0.55 0.00 0.00 66.41 65.14 2wsc h THR 15 Cb 0.51 0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.08 2wsc h THR 15 CO 0.00 0.24 -0.90 0.74 -0.25 0.00 0.00 175.52 175.35 2wsc h THR 16 N 1.05 1.60 -0.95 6.82 2.02 -1.37 0.26 112.91 122.34 2wsc h THR 16 Ca 0.27 -3.14 0.03 0.00 0.77 0.00 0.00 66.41 64.34 2wsc h THR 16 Cb -0.00 2.72 -0.05 0.00 -1.74 0.00 0.00 68.15 69.07 2wsc h THR 16 CO -0.05 0.88 0.62 0.25 0.37 0.00 0.00 175.52 177.60 2wsc h LEU 17 N 0.00 1.04 0.18 2.58 6.46 -0.81 -2.12 115.31 122.65 2wsc h LEU 17 Ca -0.01 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 2wsc h LEU 17 Cb 1.65 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 41.34 2wsc h LEU 17 CO 0.12 0.72 -0.09 0.24 -0.62 0.00 0.00 178.44 178.81 2wsc h MET 18 N 1.22 -0.24 0.00 1.25 2.86 0.11 -3.21 114.93 116.92 2wsc h MET 18 Ca 0.38 0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.94 2wsc h MET 18 Cb -0.02 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2wsc h MET 18 CO -0.12 -0.16 -0.44 1.25 1.06 0.00 0.00 176.91 178.51 2wsc h LEU 19 N -0.94 0.00 -0.12 1.22 6.46 -0.57 -1.60 115.31 119.75 2wsc h LEU 19 Ca -0.03 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.53 2wsc h LEU 19 Cb 0.19 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 2wsc h LEU 19 CO 0.04 0.44 -0.96 0.15 -0.62 0.00 0.00 178.44 177.48 2wsc h PHE 20 N 0.00 0.10 -0.04 1.25 3.57 -1.56 -1.59 116.94 118.67 2wsc h PHE 20 Ca -0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2wsc h PHE 20 Cb 1.29 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2wsc h PHE 20 CO 0.00 0.98 0.00 0.00 -2.23 0.00 0.00 178.31 177.06 2wsc n ALA 21 N -2.40 2.51 -1.00 2.41 0.00 -1.05 -4.48 120.51 116.51 2wsc n ALA 21 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2wsc n ALA 21 Cb 0.89 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2wsc n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsc n GLY 22 N 0.44 1.02 0.27 0.00 0.00 -0.60 -4.37 105.19 101.96 2wsc n GLY 22 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 2wsc n GLY 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wsc h ARG 23 N 0.00 0.06 -0.56 1.61 2.43 -1.79 -1.97 114.38 114.17 2wsc h ARG 23 Ca 0.00 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2wsc h ARG 23 Cb 0.00 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.45 2wsc h ARG 23 CO 0.00 0.04 0.06 0.35 -1.51 0.00 0.00 179.97 178.91 2wsc h PHE 24 N 0.07 0.07 0.00 2.20 3.04 -1.86 0.54 116.94 121.00 2wsc h PHE 24 Ca 0.39 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.38 2wsc h PHE 24 Cb 0.66 0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.22 2wsc h PHE 24 CO -0.47 -0.08 0.00 0.41 -2.02 0.00 0.00 178.31 176.15 2wsc n GLY 25 N -1.32 -0.86 0.00 2.40 0.00 -0.74 -1.94 105.19 102.73 2wsc n GLY 25 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wsc n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wsc n LEU 26 N -1.43 0.53 0.00 0.99 0.00 -0.61 -4.95 117.00 111.53 2wsc n LEU 26 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 56.01 55.42 2wsc n LEU 26 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.55 2wsc n LEU 26 CO 0.11 0.13 0.01 0.00 0.00 0.00 0.00 177.39 177.64 2wsc n ALA 27 N -0.20 0.00 -1.24 1.96 0.00 0.18 -3.63 120.51 117.58 2wsc n ALA 27 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2wsc n ALA 27 Cb 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 2wsc n ALA 27 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wsc n PRO 28 N -0.03 1.97 0.00 0.00 -0.02 -1.26 -4.83 135.00 130.83 2wsc n PRO 28 Ca 0.00 -1.99 0.00 0.00 -2.02 0.00 0.00 63.50 59.49 2wsc n PRO 28 Cb 0.00 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 30.53 2wsc n PRO 28 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wsc n SER 29 N 6.63 0.00 -4.13 2.55 2.88 -1.24 -4.74 113.62 115.56 2wsc n SER 29 Ca 0.51 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.74 2wsc n SER 29 Cb 0.36 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.79 2wsc n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wsc n ALA 30 N -3.00 -1.69 0.09 -1.46 0.00 -1.26 -4.79 120.51 108.41 2wsc n ALA 30 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2wsc n ALA 30 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.24 2wsc n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2wsc n ASN 31 N -2.82 0.09 0.00 0.00 2.85 -1.26 -5.10 115.26 109.01 2wsc n ASN 31 Ca -0.15 0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.64 2wsc n ASN 31 Cb 0.60 0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.81 2wsc n ASN 31 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2wsc n ARG 32 N -3.28 0.00 0.00 1.20 3.00 -1.26 -4.72 116.66 111.60 2wsc n ARG 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2wsc n ARG 32 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.49 2wsc n ARG 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wsc n LYS 33 N 0.00 3.21 -1.35 5.56 5.02 -1.26 -5.08 118.16 124.27 2wsc n LYS 33 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 2wsc n LYS 33 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 2wsc n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wsc n ALA 34 N -3.00 -2.67 -2.00 7.82 0.00 -1.26 -5.11 120.51 114.28 2wsc n ALA 34 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.10 2wsc n ALA 34 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2wsc n ALA 34 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2wsc n THR 35 N -3.37 0.00 -0.05 0.00 5.66 -1.26 -5.04 114.28 110.22 2wsc n THR 35 Ca -0.05 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.89 2wsc n THR 35 Cb 0.53 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.23 2wsc n THR 35 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wsc n ALA 36 N -3.00 1.73 0.88 1.79 0.00 -1.26 -4.62 120.51 116.03 2wsc n ALA 36 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2wsc n ALA 36 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2wsc n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsc n GLY 37 N 2.40 1.43 0.00 0.00 0.00 -1.26 -4.67 105.19 103.10 2wsc n GLY 37 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2wsc n GLY 37 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wsc n LEU 38 N 0.19 0.00 -4.12 0.99 7.94 -1.26 -5.10 117.00 115.64 2wsc n LEU 38 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 2wsc n LEU 38 Cb 0.28 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.23 2wsc n LEU 38 CO 0.00 0.00 1.50 0.29 -1.11 0.00 0.00 177.39 178.07 2wsc n LYS 39 N 0.00 3.71 -0.89 1.96 4.76 -1.26 -4.73 118.16 121.70 2wsc n LYS 39 Ca 0.00 -3.93 0.00 0.00 -2.87 0.00 0.00 58.31 51.51 2wsc n LYS 39 Cb 0.00 -2.83 0.00 0.00 -1.84 0.00 0.00 35.03 30.36 2wsc n LYS 39 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2wsc n LEU 40 N 3.74 -1.18 0.00 -0.35 -0.00 -1.26 -5.08 117.00 112.86 2wsc n LEU 40 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.35 2wsc n LEU 40 Cb 0.38 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 2wsc n LEU 40 CO 0.70 0.00 0.00 -1.84 -0.00 0.00 0.00 177.39 176.25 2wsc n GLU 41 N 0.13 0.00 -2.67 1.96 -0.00 -1.26 -5.10 120.64 113.70 2wsc n GLU 41 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.16 56.74 2wsc n GLU 41 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.41 2wsc n GLU 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wsc s ALA 42 N 0.00 3.35 0.00 -1.84 0.00 -1.26 -4.88 121.76 117.12 2wsc s ALA 42 Ca 0.00 0.44 0.05 0.00 0.00 0.00 0.00 51.96 52.45 2wsc s ALA 42 Cb 0.00 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.78 2wsc s ALA 42 CO 0.00 -0.52 0.96 -2.13 0.00 0.00 0.00 175.76 174.07 2wsc n ARG 43 N 4.72 0.00 0.00 0.00 3.00 -1.26 -5.15 116.66 117.97 2wsc n ARG 43 Ca 0.08 -1.04 0.00 0.00 -0.00 0.00 0.00 57.85 56.89 2wsc n ARG 43 Cb 0.49 -0.28 0.00 0.00 0.00 0.00 0.00 32.46 32.67 2wsc n ARG 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2wsc n GLU 44 N 0.10 0.00 0.00 -0.14 1.02 -1.26 -4.96 120.64 115.40 2wsc n GLU 44 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2wsc n GLU 44 Cb 0.76 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.18 2wsc n GLU 44 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2wsc n SER 45 N -3.04 0.00 0.00 1.62 2.88 -1.26 -4.28 113.62 109.54 2wsc n SER 45 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2wsc n SER 45 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2wsc n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wsc n GLY 46 N 0.00 -0.16 0.00 0.46 0.00 -1.26 -5.13 105.19 99.09 2wsc n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wsc n GLY 46 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2wsc n ILE 47 N -1.95 0.00 0.00 -0.61 3.06 -1.26 -5.08 119.36 113.52 2wsc n ILE 47 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2wsc n ILE 47 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 2wsc n ILE 47 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wsc n GLN 48 N 0.00 0.00 -4.44 9.51 6.02 -1.26 -5.16 117.38 122.05 2wsc n GLN 48 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2wsc n GLN 48 Cb 0.00 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.09 2wsc n GLN 48 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2wsc s THR 49 N 0.00 1.57 -0.30 5.09 2.01 -1.26 -5.07 115.64 117.68 2wsc s THR 49 Ca 0.00 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 61.13 2wsc s THR 49 Cb 0.00 -1.43 0.19 0.00 0.01 0.00 0.00 72.50 71.27 2wsc s THR 49 CO 0.00 0.46 1.27 -0.83 -0.69 0.00 0.00 174.62 174.83 2wsc s GLY 50 N 1.01 0.24 0.00 4.40 0.00 -1.26 -5.19 107.32 106.52 2wsc s GLY 50 Ca -0.06 3.60 0.00 0.00 0.00 0.00 0.00 44.72 48.27 2wsc s GLY 50 CO -0.02 3.42 0.00 1.34 0.00 0.00 0.00 173.10 177.83 2wsc n ASP 51 N 4.63 0.00 0.00 1.64 -0.08 -1.26 -4.56 116.55 116.93 2wsc n ASP 51 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 2wsc n ASP 51 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 2wsc n ASP 51 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2wsc n PRO 52 N 0.00 0.00 -0.04 -0.67 -0.02 -1.26 -2.88 135.00 130.13 2wsc n PRO 52 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 2wsc n PRO 52 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 2wsc n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wsc h ALA 53 N 0.00 -0.40 -0.14 3.55 0.00 -1.92 -3.03 119.26 117.31 2wsc h ALA 53 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2wsc h ALA 53 Cb 0.00 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 2wsc h ALA 53 CO 0.00 -0.83 -0.46 0.78 0.00 0.00 0.00 179.25 178.75 2wsc h GLY 54 N -0.39 -0.81 0.10 0.00 0.00 -1.77 -2.99 103.07 97.22 2wsc h GLY 54 Ca 0.11 0.57 -0.00 0.00 0.00 0.00 0.00 47.33 48.01 2wsc h GLY 54 CO -0.43 -0.22 -0.00 0.74 0.00 0.00 0.00 176.54 176.63 2wsc h PHE 55 N -0.51 -0.01 0.01 5.60 -1.00 -1.82 -3.28 116.94 115.92 2wsc h PHE 55 Ca 0.07 -0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.64 2wsc h PHE 55 Cb 0.64 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.18 2wsc h PHE 55 CO -0.52 0.82 -0.95 0.00 -1.61 0.00 0.00 178.31 176.05 2wsc h THR 56 N -0.91 1.64 0.00 -1.55 1.03 -1.65 -2.62 112.91 108.85 2wsc h THR 56 Ca -0.00 -3.12 0.00 0.00 -0.01 0.00 0.00 66.41 63.28 2wsc h THR 56 Cb 0.84 2.71 0.00 0.00 -1.07 0.00 0.00 68.15 70.63 2wsc h THR 56 CO 0.00 0.89 0.00 -0.07 -0.01 0.00 0.00 175.52 176.34 2wsc h LEU 57 N 0.02 0.00 0.00 0.00 3.38 -1.70 -0.49 115.31 116.51 2wsc h LEU 57 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wsc h LEU 57 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2wsc h LEU 57 CO 0.13 0.00 -0.37 0.00 0.09 0.00 0.00 178.44 178.29 2wsc n ALA 58 N -2.02 2.98 0.72 1.53 0.00 -1.03 -4.06 120.51 118.64 2wsc n ALA 58 Ca 0.01 -0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.34 2wsc n ALA 58 Cb 0.27 -1.25 0.29 0.00 0.00 0.00 0.00 19.45 18.76 2wsc n ALA 58 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wsc n ASP 59 N -1.72 0.59 -0.09 0.00 -0.08 -0.20 -2.52 116.55 112.53 2wsc n ASP 59 Ca 0.05 0.19 -0.11 0.00 -1.51 0.00 0.00 54.79 53.41 2wsc n ASP 59 Cb 0.37 -0.10 0.02 0.00 2.34 0.00 0.00 41.12 43.75 2wsc n ASP 59 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2wsc h THR 60 N 0.00 1.28 -0.40 5.18 2.02 -1.70 -1.45 112.91 117.84 2wsc h THR 60 Ca 0.00 -1.54 -0.08 0.00 0.77 0.00 0.00 66.41 65.56 2wsc h THR 60 Cb 0.66 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2wsc h THR 60 CO 0.00 0.51 -0.07 0.25 0.37 0.00 0.00 175.52 176.58 2wsc h LEU 61 N 0.69 0.76 -0.81 2.58 5.85 -1.79 -3.28 115.31 119.31 2wsc h LEU 61 Ca 0.06 -0.35 0.10 0.00 0.84 0.00 0.00 57.88 58.54 2wsc h LEU 61 Cb 0.94 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 2wsc h LEU 61 CO 0.09 0.93 0.44 0.00 -0.34 0.00 0.00 178.44 179.55 2wsc h ALA 62 N 0.86 1.16 -0.01 1.25 0.00 -1.23 0.99 119.26 122.28 2wsc h ALA 62 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wsc h ALA 62 Cb 0.58 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wsc h ALA 62 CO 0.03 0.03 0.03 0.00 0.00 0.00 0.00 179.25 179.34 2wsc n GLY 64 N -1.18 2.13 0.14 0.00 0.00 0.33 -4.53 105.19 102.08 2wsc n GLY 64 Ca -0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 2wsc n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsc h ALA 65 N 4.03 -0.43 0.00 4.61 0.00 -0.87 -3.33 119.26 123.28 2wsc h ALA 65 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 2wsc h ALA 65 Cb 1.07 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2wsc h ALA 65 CO 0.11 -0.40 -1.65 0.28 0.00 0.00 0.00 179.25 177.58 2wsc n VAL 66 N -4.01 1.46 0.80 0.00 0.31 -1.26 -3.35 118.33 112.28 2wsc n VAL 66 Ca -0.04 -0.77 0.10 0.00 -0.01 0.00 0.00 64.34 63.63 2wsc n VAL 66 Cb 0.12 -0.92 0.47 0.00 -0.91 0.00 0.00 33.84 32.60 2wsc n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wsc n GLY 67 N 1.51 -1.11 0.00 2.92 0.00 -1.26 -4.79 105.19 102.46 2wsc n GLY 67 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2wsc n GLY 67 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wsc n HIS 68 N -1.42 -0.79 0.00 1.61 8.25 -1.21 -3.64 115.22 118.01 2wsc n HIS 68 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2wsc n HIS 68 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 2wsc n HIS 68 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2wsc n ILE 69 N -1.07 0.00 0.00 1.59 3.06 -1.26 -3.96 119.36 117.72 2wsc n ILE 69 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2wsc n ILE 69 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 2wsc n ILE 69 CO 0.00 0.00 0.00 0.80 -2.50 0.00 0.00 176.55 174.85 2wsc n MET 70 N 0.00 0.00 -0.33 9.51 1.56 -1.25 0.33 117.12 126.94 2wsc n MET 70 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.34 2wsc n MET 70 Cb 0.00 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.29 2wsc n MET 70 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2wsc n GLY 71 N 0.00 -2.31 1.53 -5.12 0.00 -1.24 -4.46 105.19 93.59 2wsc n GLY 71 Ca 0.00 0.99 -0.00 0.00 0.00 0.00 0.00 46.02 47.01 2wsc n GLY 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wsc n VAL 72 N -4.88 0.00 -0.77 1.61 3.14 1.00 -3.90 118.33 114.53 2wsc n VAL 72 Ca 0.02 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.23 2wsc n VAL 72 Cb 0.21 -0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.89 2wsc n VAL 72 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wsc n GLY 73 N 1.63 -0.25 3.67 7.55 0.00 -1.26 -4.54 105.19 111.98 2wsc n GLY 73 Ca 0.00 0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.90 2wsc n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wsc n ILE 74 N 3.38 0.70 -1.45 -0.61 5.41 -1.25 -4.69 119.36 120.86 2wsc n ILE 74 Ca 0.34 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.96 2wsc n ILE 74 Cb 0.04 -2.17 0.00 0.00 -0.71 0.00 0.00 39.64 36.80 2wsc n ILE 74 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2wsc n VAL 75 N 5.46 0.00 -3.97 1.39 0.24 -1.26 -5.08 118.33 115.11 2wsc n VAL 75 Ca 0.21 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.42 2wsc n VAL 75 Cb 0.37 -0.06 -0.04 0.00 -1.47 0.00 0.00 33.84 32.64 2wsc n VAL 75 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wsc s LEU 76 N -0.85 0.27 0.17 1.34 2.96 -1.26 -5.16 118.68 116.15 2wsc s LEU 76 Ca 0.00 -0.96 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 2wsc s LEU 76 Cb 0.00 2.00 0.00 0.00 0.50 0.00 0.00 46.19 48.69 2wsc s LEU 76 CO 0.00 -1.24 0.00 0.61 -1.32 0.00 0.00 176.35 174.40 2wsc n GLY 77 N -0.43 -1.95 3.03 7.98 0.00 -1.26 -4.74 105.19 107.82 2wsc n GLY 77 Ca -0.02 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 2wsc n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wsc s LEU 78 N -5.19 4.94 -0.09 0.99 1.43 -1.26 -4.91 118.68 114.59 2wsc s LEU 78 Ca 0.00 -3.16 -0.01 0.00 -1.03 0.00 0.00 54.13 49.94 2wsc s LEU 78 Cb 0.00 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2wsc s LEU 78 CO 0.00 -0.26 0.01 0.29 0.23 0.00 0.00 176.35 176.62 2wsc n LYS 79 N 3.01 -1.46 0.00 1.70 5.02 -1.26 -4.76 118.16 120.41 2wsc n LYS 79 Ca 0.10 1.50 0.00 0.00 -2.02 0.00 0.00 58.31 57.89 2wsc n LYS 79 Cb 0.35 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 2wsc n LYS 79 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2wsc n ASN 80 N 1.32 0.00 -0.01 4.39 2.85 -1.26 -1.54 115.26 121.01 2wsc n ASN 80 Ca -0.02 0.33 0.10 0.00 -0.11 0.00 0.00 54.58 54.87 2wsc n ASN 80 Cb 0.32 -0.33 -0.15 0.00 1.24 0.00 0.00 39.78 40.86 2wsc n ASN 80 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2wsc n THR 81 N -1.31 0.00 0.00 -0.44 -2.24 -1.26 -5.00 114.28 104.02 2wsc n THR 81 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2wsc n THR 81 Cb 0.06 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2wsc n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wsc n GLY 82 N 1.41 2.80 3.77 3.38 0.00 -0.59 -5.01 105.19 110.95 2wsc n GLY 82 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2wsc n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wsc s VAL 83 N -1.24 3.09 -2.08 1.61 1.01 -1.26 -5.11 120.40 116.42 2wsc s VAL 83 Ca 0.00 0.75 0.31 0.00 0.00 0.00 0.00 61.98 63.04 2wsc s VAL 83 Cb 0.00 -3.34 0.85 0.00 0.00 0.00 0.00 36.38 33.89 2wsc s VAL 83 CO 0.00 -0.08 2.15 0.18 0.00 0.00 0.00 175.10 177.35