#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wss s ALA 2 N 0.00 3.31 1.20 4.37 0.00 -1.26 -5.03 121.76 124.36 2wss s ALA 2 Ca 0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 51.96 51.48 2wss s ALA 2 Cb 0.00 -3.77 0.23 0.00 0.00 0.00 0.00 23.12 19.58 2wss s ALA 2 CO 0.00 -1.90 0.54 1.63 0.00 0.00 0.00 175.76 176.04 2wss n LYS 3 N 7.36 -2.64 0.00 0.00 5.02 -1.26 -5.04 118.16 121.59 2wss n LYS 3 Ca 0.11 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.64 2wss n LYS 3 Cb 0.48 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 2wss n LYS 3 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wss n LEU 4 N -3.54 0.00 -4.37 -0.35 4.77 -1.26 -5.12 117.00 107.12 2wss n LEU 4 Ca 0.04 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.57 2wss n LEU 4 Cb 0.56 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.61 2wss n LEU 4 CO 0.49 0.00 0.50 -0.69 -1.33 0.00 0.00 177.39 176.36 2wss s VAL 5 N -2.22 5.02 -0.25 4.08 1.01 -1.26 -5.01 120.40 121.78 2wss s VAL 5 Ca 0.00 -1.50 -0.31 0.00 0.00 0.00 0.00 61.98 60.17 2wss s VAL 5 Cb 0.00 -4.53 -0.08 0.00 0.00 0.00 0.00 36.38 31.78 2wss s VAL 5 CO 0.00 -1.15 2.19 0.54 0.00 0.00 0.00 175.10 176.68 2wss n ARG 6 N 5.72 1.67 -0.65 2.72 5.12 -1.26 -4.06 116.66 125.93 2wss n ARG 6 Ca 0.02 0.47 -0.29 0.00 -1.93 0.00 0.00 57.85 56.12 2wss n ARG 6 Cb 0.45 -2.93 0.22 0.00 -1.16 0.00 0.00 32.46 29.03 2wss n ARG 6 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 2wss s PRO 7 N 6.18 -0.25 -0.07 5.56 0.02 -1.26 -5.02 135.00 140.15 2wss s PRO 7 Ca 1.03 1.01 -0.17 0.00 0.02 0.00 0.00 61.00 62.90 2wss s PRO 7 Cb -0.54 -1.62 -0.29 0.00 0.02 0.00 0.00 34.50 32.07 2wss s PRO 7 CO 0.41 -3.33 0.68 -1.35 -0.33 0.00 0.00 177.00 173.08 2wss h PRO 8 N -2.35 0.30 0.06 5.54 0.11 -1.93 -3.38 132.00 130.35 2wss h PRO 8 Ca -0.56 -0.51 -0.26 0.00 0.11 0.00 0.00 66.00 64.79 2wss h PRO 8 Cb 1.31 0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.60 2wss h PRO 8 CO 0.49 1.24 -1.25 0.28 -0.21 0.00 0.00 178.00 178.55 2wss h VAL 9 N -0.24 1.46 0.00 3.15 2.07 -1.94 -3.48 116.25 117.28 2wss h VAL 9 Ca -0.27 -3.12 0.00 0.00 0.82 0.00 0.00 66.70 64.13 2wss h VAL 9 Cb 1.81 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 34.40 2wss h VAL 9 CO 0.11 0.87 0.00 0.00 0.02 0.00 0.00 177.57 178.57 2wss n GLN 10 N -3.40 0.00 -0.11 1.57 6.02 -1.26 -4.85 117.38 115.35 2wss n GLN 10 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 2wss n GLN 10 Cb 1.00 -0.50 0.00 0.00 1.02 0.00 0.00 30.24 31.76 2wss n GLN 10 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2wss n ILE 11 N -0.19 -0.03 -1.89 5.09 5.41 -1.26 -4.78 119.36 121.71 2wss n ILE 11 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2wss n ILE 11 Cb 0.00 -0.08 0.00 0.00 -0.71 0.00 0.00 39.64 38.85 2wss n ILE 11 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2wss n TYR 12 N 1.03 0.00 -3.56 1.39 0.53 -1.26 -4.76 117.16 110.52 2wss n TYR 12 Ca 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 57.90 56.84 2wss n TYR 12 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 39.34 38.33 2wss n TYR 12 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wss n GLY 13 N 0.00 1.22 0.00 2.72 0.00 -1.26 -5.10 105.19 102.76 2wss n GLY 13 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2wss n GLY 13 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wss n ILE 14 N -0.37 0.00 0.00 -0.61 -6.64 -1.26 -3.59 119.36 106.89 2wss n ILE 14 Ca -0.04 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.94 2wss n ILE 14 Cb 0.37 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.57 2wss n ILE 14 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2wss n GLU 15 N 0.00 0.00 -0.37 6.28 -0.58 -1.26 -4.85 120.64 119.85 2wss n GLU 15 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 2wss n GLU 15 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 2wss n GLU 15 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wss n GLY 16 N 0.00 2.26 0.00 0.62 0.00 -1.24 -2.08 105.19 104.75 2wss n GLY 16 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wss n GLY 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wss n ARG 17 N 4.20 0.00 0.13 1.61 0.63 -1.26 -4.06 116.66 117.91 2wss n ARG 17 Ca 0.21 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.13 2wss n ARG 17 Cb 0.11 -0.29 0.13 0.00 0.45 0.00 0.00 32.46 32.86 2wss n ARG 17 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 2wss h TYR 18 N 0.00 0.00 0.09 -0.14 0.05 -1.80 -3.34 116.97 111.82 2wss h TYR 18 Ca 0.00 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.44 2wss h TYR 18 Cb 0.30 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 2wss h TYR 18 CO 0.00 0.65 -1.85 0.00 -1.05 0.00 0.00 178.16 175.91 2wss h ALA 19 N 1.35 0.50 0.00 3.88 0.00 -1.80 -3.25 119.26 119.94 2wss h ALA 19 Ca -0.01 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.53 2wss h ALA 19 Cb 1.23 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2wss h ALA 19 CO 0.08 1.36 0.19 2.41 0.00 0.00 0.00 179.25 183.29 2wss n THR 20 N -3.36 0.87 -0.04 0.00 -1.04 -1.26 -0.59 114.28 108.86 2wss n THR 20 Ca -0.26 0.40 -0.19 0.00 -2.04 0.00 0.00 64.05 61.97 2wss n THR 20 Cb 1.05 -1.40 -0.13 0.00 -1.82 0.00 0.00 70.33 68.03 2wss n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wss h ALA 21 N 1.08 0.12 -0.01 2.41 0.00 -1.68 -3.39 119.26 117.79 2wss h ALA 21 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2wss h ALA 21 Cb 0.37 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2wss h ALA 21 CO 0.00 0.51 -0.01 1.28 0.00 0.00 0.00 179.25 181.03 2wss n LEU 22 N -4.28 0.62 -0.04 0.00 4.77 0.24 -0.35 117.00 117.96 2wss n LEU 22 Ca -0.22 -0.19 0.13 0.00 -0.03 0.00 0.00 56.01 55.71 2wss n LEU 22 Cb 0.71 -0.02 0.45 0.00 -2.33 0.00 0.00 43.42 42.23 2wss n LEU 22 CO 0.34 0.11 0.71 -1.22 -1.33 0.00 0.00 177.39 175.99 2wss n TYR 23 N -0.55 0.00 -0.03 -1.77 4.01 -1.20 -1.94 117.16 115.68 2wss n TYR 23 Ca 0.21 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.93 2wss n TYR 23 Cb 0.22 -0.30 -0.07 0.00 -0.31 0.00 0.00 39.34 38.88 2wss n TYR 23 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2wss n SER 24 N -1.31 2.83 0.09 7.72 2.88 -0.15 -3.71 113.62 121.97 2wss n SER 24 Ca 0.08 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.47 2wss n SER 24 Cb 0.32 0.87 -0.11 0.00 -0.75 0.00 0.00 64.21 64.55 2wss n SER 24 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wss h ALA 25 N 0.53 0.18 0.00 -1.46 0.00 -0.79 -3.34 119.26 114.38 2wss h ALA 25 Ca -0.19 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 53.90 2wss h ALA 25 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wss h ALA 25 CO 0.01 0.90 -0.00 0.00 0.00 0.00 0.00 179.25 180.16 2wss h ALA 26 N 0.61 -0.00 0.00 0.00 0.00 -1.63 -3.25 119.26 114.99 2wss h ALA 26 Ca -0.12 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wss h ALA 26 Cb 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2wss h ALA 26 CO 0.19 -0.16 0.00 0.45 0.00 0.00 0.00 179.25 179.74 2wss n SER 27 N -4.76 0.00 -3.75 0.00 2.88 -1.24 -2.51 113.62 104.23 2wss n SER 27 Ca -0.09 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.15 2wss n SER 27 Cb 0.34 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.66 2wss n SER 27 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wss s LYS 28 N -1.04 1.05 0.00 -1.46 1.02 -1.23 -4.58 119.74 113.49 2wss s LYS 28 Ca 0.00 -1.58 0.00 0.00 0.02 0.00 0.00 55.97 54.41 2wss s LYS 28 Cb 0.00 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 2wss s LYS 28 CO 0.00 -1.06 0.00 1.04 -0.92 0.00 0.00 175.35 174.41 2wss n GLN 29 N 4.19 0.00 -3.77 1.68 6.02 -1.19 -4.81 117.38 119.50 2wss n GLN 29 Ca 0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.71 2wss n GLN 29 Cb 0.38 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.58 2wss n GLN 29 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2wss n ASN 30 N 0.00 -1.26 -2.07 1.08 3.02 -1.05 -4.77 115.26 110.22 2wss n ASN 30 Ca 0.00 -0.93 -0.22 0.00 -0.03 0.00 0.00 54.58 53.40 2wss n ASN 30 Cb 0.00 -1.19 0.14 0.00 -0.61 0.00 0.00 39.78 38.12 2wss n ASN 30 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wss n LYS 31 N -3.17 2.12 -0.20 3.52 5.02 -1.22 -4.56 118.16 119.67 2wss n LYS 31 Ca 0.07 -2.58 0.01 0.00 -2.02 0.00 0.00 58.31 53.79 2wss n LYS 31 Cb 0.34 -2.01 0.10 0.00 -0.02 0.00 0.00 35.03 33.45 2wss n LYS 31 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2wss h LEU 32 N 1.20 -0.24 -0.06 -0.35 3.38 -1.86 -2.85 115.31 114.53 2wss h LEU 32 Ca 0.54 0.15 -0.23 0.00 0.09 0.00 0.00 57.88 58.42 2wss h LEU 32 Cb 2.29 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 43.29 2wss h LEU 32 CO 1.01 -0.10 -1.05 -0.33 0.09 0.00 0.00 178.44 178.06 2wss h GLU 33 N 0.13 0.19 -0.63 1.13 5.08 -1.99 -1.30 114.58 117.18 2wss h GLU 33 Ca 0.32 -0.27 0.18 0.00 -1.00 0.00 0.00 59.36 58.60 2wss h GLU 33 Cb 0.52 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2wss h GLU 33 CO -0.51 1.07 0.52 1.96 -1.00 0.00 0.00 179.01 181.04 2wss h GLN 34 N 0.07 0.00 0.00 2.33 4.20 -1.83 -2.48 115.11 117.40 2wss h GLN 34 Ca -0.07 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.35 2wss h GLN 34 Cb 1.75 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.47 2wss h GLN 34 CO 0.16 0.00 -2.08 0.28 -0.67 0.00 0.00 178.83 176.52 2wss n VAL 35 N -4.07 1.08 -0.14 -0.54 0.31 -1.14 -3.06 118.33 110.77 2wss n VAL 35 Ca 0.12 -0.59 0.28 0.00 -0.01 0.00 0.00 64.34 64.14 2wss n VAL 35 Cb 0.76 -0.76 0.66 0.00 -0.91 0.00 0.00 33.84 33.59 2wss n VAL 35 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wss h GLU 36 N 0.00 0.00 0.00 5.55 4.81 -0.77 0.24 114.58 124.41 2wss h GLU 36 Ca -0.43 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.48 2wss h GLU 36 Cb 1.88 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.20 2wss h GLU 36 CO -0.00 0.00 -2.24 1.63 -0.73 0.00 0.00 179.01 177.66 2wss n LYS 37 N -3.69 0.89 -0.20 1.92 5.02 -1.14 -4.22 118.16 116.74 2wss n LYS 37 Ca 0.18 0.05 -0.01 0.00 -2.02 0.00 0.00 58.31 56.51 2wss n LYS 37 Cb 1.12 -1.45 0.09 0.00 -0.02 0.00 0.00 35.03 34.77 2wss n LYS 37 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2wss h GLU 38 N 0.00 0.44 -0.42 1.97 5.08 -0.54 -2.51 114.58 118.60 2wss h GLU 38 Ca -0.49 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 57.79 2wss h GLU 38 Cb 1.96 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.09 2wss h GLU 38 CO -0.02 0.29 0.07 -0.07 -1.00 0.00 0.00 179.01 178.28 2wss h LEU 39 N 0.46 0.67 -1.10 1.33 3.38 -1.28 -2.65 115.31 116.12 2wss h LEU 39 Ca 0.29 -0.26 0.31 0.00 0.09 0.00 0.00 57.88 58.30 2wss h LEU 39 Cb 0.30 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 40.74 2wss h LEU 39 CO -0.26 0.76 0.62 -0.07 0.09 0.00 0.00 178.44 179.58 2wss h LEU 40 N 0.55 0.52 -0.04 1.67 3.38 -1.62 -0.55 115.31 119.21 2wss h LEU 40 Ca 0.13 0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 2wss h LEU 40 Cb 0.38 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2wss h LEU 40 CO 0.01 -0.05 -0.34 -0.09 0.09 0.00 0.00 178.44 178.06 2wss h ARG 41 N 0.37 0.30 0.00 1.13 2.43 -1.34 -3.21 114.38 114.06 2wss h ARG 41 Ca 0.70 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.57 2wss h ARG 41 Cb 1.64 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.25 2wss h ARG 41 CO -0.51 0.94 -0.17 0.28 -1.51 0.00 0.00 179.97 178.99 2wss h VAL 42 N -0.25 0.91 0.00 0.20 2.07 -1.00 -1.77 116.25 116.40 2wss h VAL 42 Ca -0.03 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2wss h VAL 42 Cb 1.02 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2wss h VAL 42 CO 0.07 0.17 0.18 0.61 0.02 0.00 0.00 177.57 178.62 2wss n GLY 43 N -0.84 -0.69 0.00 2.17 0.00 -0.34 -1.62 105.19 103.87 2wss n GLY 43 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2wss n GLY 43 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wss n GLN 44 N -2.09 2.92 0.23 1.61 6.02 -0.70 -4.20 117.38 121.18 2wss n GLN 44 Ca -0.01 -0.10 0.16 0.00 -0.01 0.00 0.00 57.00 57.03 2wss n GLN 44 Cb 0.21 -0.49 0.67 0.00 1.02 0.00 0.00 30.24 31.66 2wss n GLN 44 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2wss h ILE 45 N 0.11 0.00 0.00 5.09 2.04 -0.96 -3.11 117.51 120.68 2wss h ILE 45 Ca 0.00 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2wss h ILE 45 Cb 0.05 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2wss h ILE 45 CO 0.00 0.00 -1.66 0.18 0.00 0.00 0.00 178.15 176.67 2wss n LEU 46 N -2.75 0.00 -1.33 1.44 4.77 -1.18 -4.36 117.00 113.58 2wss n LEU 46 Ca 0.01 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 2wss n LEU 46 Cb 0.24 0.01 0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2wss n LEU 46 CO 0.23 0.01 0.70 0.29 -1.33 0.00 0.00 177.39 177.29 2wss n LYS 47 N -2.01 1.85 -2.06 3.23 5.02 -1.17 -4.23 118.16 118.78 2wss n LYS 47 Ca -0.03 -1.20 -0.30 0.00 -2.02 0.00 0.00 58.31 54.76 2wss n LYS 47 Cb 0.39 -1.58 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 2wss n LYS 47 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2wss s GLU 48 N -1.43 3.26 0.00 1.97 2.02 -1.25 -4.94 118.70 118.32 2wss s GLU 48 Ca 0.22 0.47 0.00 0.00 0.02 0.00 0.00 54.97 55.68 2wss s GLU 48 Cb 0.18 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.28 2wss s GLU 48 CO 0.05 -0.68 0.46 -2.30 0.02 0.00 0.00 175.26 172.81 2wss n PRO 49 N -2.74 0.69 -1.86 0.39 -0.02 -1.26 -3.80 135.00 126.41 2wss n PRO 49 Ca 0.05 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.54 2wss n PRO 49 Cb 0.56 -1.23 0.05 0.00 -0.02 0.00 0.00 33.50 32.86 2wss n PRO 49 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wss n LYS 50 N -0.07 0.95 0.00 -0.52 5.02 -1.26 -4.97 118.16 117.32 2wss n LYS 50 Ca 0.00 -2.76 0.00 0.00 -2.02 0.00 0.00 58.31 53.53 2wss n LYS 50 Cb 0.12 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 2wss n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wss n ALA 52 N -0.10 0.00 0.04 7.82 0.00 -1.25 -4.96 120.51 122.06 2wss n ALA 52 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 2wss n ALA 52 Cb 0.98 -0.12 0.03 0.00 0.00 0.00 0.00 19.45 20.34 2wss n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wss n ALA 53 N 0.32 3.70 0.00 0.00 0.00 -1.26 -3.58 120.51 119.68 2wss n ALA 53 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2wss n ALA 53 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2wss n ALA 53 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wss n SER 54 N 0.49 0.00 -0.36 0.00 3.41 -1.26 -4.87 113.62 111.04 2wss n SER 54 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2wss n SER 54 Cb 0.66 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.67 2wss n SER 54 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2wss n LEU 55 N -1.09 -0.56 -3.09 1.04 0.00 -1.24 -1.46 117.00 110.60 2wss n LEU 55 Ca 0.00 1.63 -0.26 0.00 0.00 0.00 0.00 56.01 57.38 2wss n LEU 55 Cb 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 43.42 42.98 2wss n LEU 55 CO 0.00 -1.48 0.08 0.18 0.00 0.00 0.00 177.39 176.16 2wss n LEU 56 N -5.41 3.78 -3.55 -1.96 4.77 -1.24 -4.14 117.00 109.26 2wss n LEU 56 Ca 0.10 -5.52 -0.29 0.00 -0.03 0.00 0.00 56.01 50.27 2wss n LEU 56 Cb 0.39 -0.41 -0.14 0.00 -2.33 0.00 0.00 43.42 40.93 2wss n LEU 56 CO -0.13 2.27 -0.32 0.21 -1.33 0.00 0.00 177.39 178.09 2wss s ASN 57 N -3.05 3.42 0.00 -1.43 2.47 -0.54 -4.97 114.94 110.84 2wss s ASN 57 Ca 0.45 -1.72 0.00 0.00 0.42 0.00 0.00 52.86 52.01 2wss s ASN 57 Cb 0.25 -0.48 0.00 0.00 -1.45 0.00 0.00 41.25 39.57 2wss s ASN 57 CO -0.10 -0.38 1.10 -2.65 -3.72 0.00 0.00 177.10 171.35 2wss n PRO 58 N 4.68 0.65 -0.08 0.43 -0.02 -1.26 -3.81 135.00 135.59 2wss n PRO 58 Ca 0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.39 2wss n PRO 58 Cb 0.40 -1.18 -0.09 0.00 -0.02 0.00 0.00 33.50 32.61 2wss n PRO 58 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wss n TYR 59 N 1.37 0.00 -0.08 6.00 4.01 -1.26 -4.69 117.16 122.51 2wss n TYR 59 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 2wss n TYR 59 Cb 0.32 -0.69 -0.12 0.00 -0.31 0.00 0.00 39.34 38.54 2wss n TYR 59 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2wss n VAL 60 N -2.84 1.60 -4.02 -0.72 0.31 -1.25 -5.09 118.33 106.32 2wss n VAL 60 Ca -0.29 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 2wss n VAL 60 Cb 0.88 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 2wss n VAL 60 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2wss n LYS 61 N -4.03 0.00 0.00 5.55 4.81 -1.26 -4.13 118.16 119.09 2wss n LYS 61 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.07 2wss n LYS 61 Cb 0.85 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.90 2wss n LYS 61 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wss n ARG 62 N -0.03 0.51 0.00 1.64 1.74 -1.26 -3.75 116.66 115.51 2wss n ARG 62 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wss n ARG 62 Cb 0.00 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 2wss n ARG 62 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2wss n SER 63 N -0.34 0.00 -3.63 0.55 3.41 -1.26 -4.48 113.62 107.88 2wss n SER 63 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2wss n SER 63 Cb 0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.97 2wss n SER 63 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2wss n VAL 64 N 0.00 4.07 0.00 -3.33 0.31 -1.26 -3.21 118.33 114.91 2wss n VAL 64 Ca 0.00 -3.36 0.00 0.00 -0.01 0.00 0.00 64.34 60.97 2wss n VAL 64 Cb 0.00 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.44 2wss n VAL 64 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wss n LYS 65 N 4.49 0.92 -0.04 5.55 5.02 -1.25 -4.70 118.16 128.15 2wss n LYS 65 Ca 0.57 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.64 2wss n LYS 65 Cb 0.33 -0.36 -0.13 0.00 -0.02 0.00 0.00 35.03 34.85 2wss n LYS 65 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2wss n VAL 66 N -0.39 1.69 1.69 -0.18 0.31 -1.20 -3.27 118.33 116.98 2wss n VAL 66 Ca 0.00 -0.43 0.13 0.00 -0.01 0.00 0.00 64.34 64.03 2wss n VAL 66 Cb 0.00 -1.83 0.63 0.00 -0.91 0.00 0.00 33.84 31.73 2wss n VAL 66 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wss n LYS 67 N -3.82 1.35 -0.18 5.55 5.02 -1.25 -1.26 118.16 123.58 2wss n LYS 67 Ca -0.33 -0.52 0.08 0.00 -2.02 0.00 0.00 58.31 55.53 2wss n LYS 67 Cb 0.92 -1.44 0.18 0.00 -0.02 0.00 0.00 35.03 34.67 2wss n LYS 67 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wss n SER 68 N -0.33 3.07 -0.46 4.39 3.41 -1.26 -4.05 113.62 118.39 2wss n SER 68 Ca 0.19 -1.90 0.07 0.00 -0.26 0.00 0.00 58.87 56.97 2wss n SER 68 Cb 0.22 -0.23 0.18 0.00 -0.26 0.00 0.00 64.21 64.12 2wss n SER 68 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wss n LEU 69 N 1.01 2.83 -0.17 1.04 4.77 -0.39 -4.23 117.00 121.87 2wss n LEU 69 Ca 0.15 -3.45 0.11 0.00 -0.03 0.00 0.00 56.01 52.79 2wss n LEU 69 Cb 0.49 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 41.19 2wss n LEU 69 CO 0.12 1.02 0.32 -1.54 -1.33 0.00 0.00 177.39 175.97 2wss n SER 70 N -1.20 1.12 -1.15 -1.43 3.41 -1.11 -4.20 113.62 109.06 2wss n SER 70 Ca 0.20 -0.90 -0.00 0.00 -0.26 0.00 0.00 58.87 57.90 2wss n SER 70 Cb 0.73 0.50 0.14 0.00 -0.26 0.00 0.00 64.21 65.31 2wss n SER 70 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wss n ASP 71 N -0.97 2.95 0.00 4.04 8.00 -1.26 -2.51 116.55 126.80 2wss n ASP 71 Ca 0.07 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 53.15 2wss n ASP 71 Cb 0.37 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 2wss n ASP 71 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2wss n THR 73 N 0.15 0.00 -0.18 -3.53 -2.24 -1.26 -1.48 114.28 105.74 2wss n THR 73 Ca 0.14 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.79 2wss n THR 73 Cb 0.70 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.84 2wss n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wss h ALA 74 N 0.00 -0.72 -3.00 6.98 0.00 -1.79 -2.87 119.26 117.86 2wss h ALA 74 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wss h ALA 74 Cb 0.00 1.15 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2wss h ALA 74 CO 0.00 -1.03 0.00 1.17 0.00 0.00 0.00 179.25 179.39 2wss n LYS 75 N -5.36 0.00 0.00 0.00 4.81 -0.55 -4.54 118.16 112.52 2wss n LYS 75 Ca -0.02 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 2wss n LYS 75 Cb 0.33 -0.83 0.00 0.00 0.02 0.00 0.00 35.03 34.55 2wss n LYS 75 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wss n GLU 76 N -0.66 0.77 0.00 1.64 1.02 -1.12 -4.72 120.64 117.57 2wss n GLU 76 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 2wss n GLU 76 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 31.44 31.58 2wss n GLU 76 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wss n LYS 77 N -0.20 0.54 0.00 3.49 5.02 -1.26 -4.49 118.16 121.25 2wss n LYS 77 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wss n LYS 77 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2wss n LYS 77 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2wss n PHE 78 N -0.66 0.00 -2.71 2.13 3.72 -1.25 -4.92 117.46 113.77 2wss n PHE 78 Ca 0.04 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.23 2wss n PHE 78 Cb 0.02 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.57 2wss n PHE 78 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2wss n SER 79 N 0.00 -5.90 0.00 4.37 3.41 -1.10 -4.90 113.62 109.50 2wss n SER 79 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2wss n SER 79 Cb 0.00 -4.84 0.00 0.00 -0.26 0.00 0.00 64.21 59.11 2wss n SER 79 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2wss n PRO 80 N -3.49 1.12 -1.36 4.33 -0.02 -1.26 -4.93 135.00 129.39 2wss n PRO 80 Ca -0.18 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.00 2wss n PRO 80 Cb 0.65 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 34.23 2wss n PRO 80 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wss n LEU 81 N 0.00 7.11 0.00 2.45 4.77 -1.26 -4.01 117.00 126.07 2wss n LEU 81 Ca 0.00 -4.19 0.00 0.00 -0.03 0.00 0.00 56.01 51.79 2wss n LEU 81 Cb 0.00 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 2wss n LEU 81 CO 0.00 1.45 0.07 1.07 -1.33 0.00 0.00 177.39 178.64 2wss n THR 82 N -0.95 0.00 1.65 -5.08 5.66 -1.26 -4.68 114.28 109.61 2wss n THR 82 Ca 0.59 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.73 2wss n THR 82 Cb 0.90 0.83 0.80 0.00 -1.55 0.00 0.00 70.33 71.31 2wss n THR 82 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2wss n SER 83 N 0.00 0.00 -0.11 1.09 3.41 -1.26 -3.93 113.62 112.82 2wss n SER 83 Ca 0.00 -0.67 -0.14 0.00 -0.26 0.00 0.00 58.87 57.80 2wss n SER 83 Cb 0.37 -0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 64.10 2wss n SER 83 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wss n ASN 84 N -1.08 0.98 0.30 4.04 3.02 -1.26 -2.95 115.26 118.31 2wss n ASN 84 Ca 0.19 -0.06 0.18 0.00 -0.03 0.00 0.00 54.58 54.86 2wss n ASN 84 Cb 0.13 0.30 0.91 0.00 -0.61 0.00 0.00 39.78 40.51 2wss n ASN 84 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2wss h LEU 85 N 0.00 0.00 0.02 3.41 3.38 -1.89 0.39 115.31 120.62 2wss h LEU 85 Ca -0.56 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 2wss h LEU 85 Cb 2.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 2wss h LEU 85 CO -0.03 0.00 -0.01 0.40 0.09 0.00 0.00 178.44 178.89 2wss h ILE 86 N 0.00 0.37 0.00 1.22 2.04 -1.78 -3.03 117.51 116.32 2wss h ILE 86 Ca 0.03 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.64 2wss h ILE 86 Cb 0.52 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2wss h ILE 86 CO -0.00 0.12 0.21 0.59 0.00 0.00 0.00 178.15 179.07 2wss n ASN 87 N -4.76 0.01 -0.05 1.72 3.02 0.98 0.13 115.26 116.30 2wss n ASN 87 Ca -0.02 0.30 -0.04 0.00 -0.03 0.00 0.00 54.58 54.79 2wss n ASN 87 Cb 0.11 -0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 2wss n ASN 87 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2wss n LEU 88 N -1.31 1.16 0.25 3.41 -0.00 0.93 -3.46 117.00 117.97 2wss n LEU 88 Ca -0.00 0.42 0.15 0.00 -0.00 0.00 0.00 56.01 56.58 2wss n LEU 88 Cb 0.21 -0.71 0.63 0.00 -0.00 0.00 0.00 43.42 43.55 2wss n LEU 88 CO 0.00 -0.45 1.12 -0.07 -0.00 0.00 0.00 177.39 177.99 2wss h LEU 89 N -0.63 0.00 0.24 -1.96 3.38 -1.06 0.67 115.31 115.95 2wss h LEU 89 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wss h LEU 89 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2wss h LEU 89 CO 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 178.44 178.42 2wss h ALA 90 N 1.07 -0.32 0.26 1.53 0.00 0.92 0.45 119.26 123.17 2wss h ALA 90 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2wss h ALA 90 Cb 1.15 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2wss h ALA 90 CO -0.00 -0.41 -0.12 0.93 0.00 0.00 0.00 179.25 179.65 2wss h GLU 91 N -0.87 -0.33 -1.21 0.00 5.08 -0.85 -3.27 114.58 113.12 2wss h GLU 91 Ca -0.03 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wss h GLU 91 Cb 0.51 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2wss h GLU 91 CO 0.05 -0.07 0.00 0.09 -1.00 0.00 0.00 179.01 178.08 2wss n ASN 92 N -5.01 0.40 -4.30 1.42 3.02 0.21 -4.76 115.26 106.25 2wss n ASN 92 Ca -0.06 -0.35 -0.34 0.00 -0.03 0.00 0.00 54.58 53.79 2wss n ASN 92 Cb 0.21 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.23 2wss n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wss n GLY 93 N 0.72 -0.28 2.42 7.41 0.00 -1.22 -4.86 105.19 109.38 2wss n GLY 93 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 2wss n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wss n ARG 94 N -4.37 1.66 0.04 1.61 1.74 0.09 -4.75 116.66 112.68 2wss n ARG 94 Ca -0.12 -3.32 -0.00 0.00 -0.77 0.00 0.00 57.85 53.64 2wss n ARG 94 Cb 0.58 -1.41 0.30 0.00 -1.02 0.00 0.00 32.46 30.91 2wss n ARG 94 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2wss h LEU 95 N 2.21 0.39 0.00 0.55 3.38 -1.72 -1.94 115.31 118.19 2wss h LEU 95 Ca -0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2wss h LEU 95 Cb 1.41 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2wss h LEU 95 CO 0.23 0.55 0.00 0.35 0.09 0.00 0.00 178.44 179.66 2wss n THR 96 N -4.23 0.00 0.00 0.22 -2.24 -1.26 -2.76 114.28 104.01 2wss n THR 96 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wss n THR 96 Cb 0.30 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2wss n THR 96 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wss n ASN 97 N -0.58 3.45 -0.33 3.42 3.02 -0.73 -4.86 115.26 118.65 2wss n ASN 97 Ca 0.01 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.73 2wss n ASN 97 Cb 0.00 0.62 0.37 0.00 -0.61 0.00 0.00 39.78 40.17 2wss n ASN 97 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2wss h THR 98 N 0.00 0.44 -0.77 3.41 1.35 -1.52 -1.42 112.91 114.40 2wss h THR 98 Ca 0.00 -0.15 0.18 0.00 -0.55 0.00 0.00 66.41 65.90 2wss h THR 98 Cb 0.14 -0.03 -0.13 0.00 -1.73 0.00 0.00 68.15 66.41 2wss h THR 98 CO 0.00 0.08 0.12 -0.65 -0.25 0.00 0.00 175.52 174.81 2wss h PRO 99 N 0.42 0.18 -0.07 4.72 0.11 -1.89 0.48 132.00 135.95 2wss h PRO 99 Ca 0.63 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.64 2wss h PRO 99 Cb 1.27 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2wss h PRO 99 CO -0.54 0.12 -0.36 0.00 -0.21 0.00 0.00 178.00 177.01 2wss h ALA 100 N 1.69 1.26 -0.47 -0.75 0.00 -1.64 -1.75 119.26 117.59 2wss h ALA 100 Ca 0.44 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2wss h ALA 100 Cb 0.80 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2wss h ALA 100 CO -0.61 0.52 -0.12 0.28 0.00 0.00 0.00 179.25 179.32 2wss h VAL 101 N 0.13 1.26 -0.00 0.00 2.07 -0.11 -2.61 116.25 117.00 2wss h VAL 101 Ca 0.01 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 2wss h VAL 101 Cb 0.70 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2wss h VAL 101 CO 0.05 0.42 -0.03 0.40 0.02 0.00 0.00 177.57 178.44 2wss h ILE 102 N 0.78 1.53 0.00 4.57 2.04 -0.58 -0.99 117.51 124.87 2wss h ILE 102 Ca 0.13 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.38 2wss h ILE 102 Cb 0.63 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 2wss h ILE 102 CO 0.04 0.42 0.00 -1.54 0.00 0.00 0.00 178.15 177.07 2wss n SER 103 N -4.74 0.00 -0.07 1.72 3.41 -0.69 -0.99 113.62 112.26 2wss n SER 103 Ca -0.09 0.16 -0.09 0.00 -0.26 0.00 0.00 58.87 58.59 2wss n SER 103 Cb 0.35 -0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 2wss n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wss h ALA 104 N 2.51 0.05 -0.91 7.33 0.00 -1.12 -2.89 119.26 124.23 2wss h ALA 104 Ca 0.00 -0.48 0.12 0.00 0.00 0.00 0.00 54.91 54.54 2wss h ALA 104 Cb 0.11 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.03 2wss h ALA 104 CO 0.00 0.26 -0.47 0.35 0.00 0.00 0.00 179.25 179.38 2wss h PHE 105 N -1.00 -1.44 0.00 0.00 3.04 -0.57 -3.02 116.94 113.95 2wss h PHE 105 Ca -0.07 0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2wss h PHE 105 Cb 0.63 0.75 0.00 0.00 2.56 0.00 0.00 35.95 39.89 2wss h PHE 105 CO 0.04 -0.40 0.00 0.43 -2.02 0.00 0.00 178.31 176.36 2wss n SER 106 N -5.38 0.00 -3.73 0.41 7.64 -0.16 -4.44 113.62 107.97 2wss n SER 106 Ca 0.05 0.13 -0.30 0.00 1.01 0.00 0.00 58.87 59.77 2wss n SER 106 Cb 0.34 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.45 2wss n SER 106 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2wss n THR 107 N -0.26 0.00 -1.48 0.44 -2.24 -1.09 -4.61 114.28 105.04 2wss n THR 107 Ca 0.00 -0.14 -0.17 0.00 -2.27 0.00 0.00 64.05 61.47 2wss n THR 107 Cb 0.00 -1.42 -0.07 0.00 -2.10 0.00 0.00 70.33 66.74 2wss n THR 107 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wss n SER 110 N 8.28 -5.19 0.00 3.42 3.41 -1.26 -4.95 113.62 117.33 2wss n SER 110 Ca 0.33 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 2wss n SER 110 Cb 0.38 -4.14 0.00 0.00 -0.26 0.00 0.00 64.21 60.19 2wss n SER 110 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2wss n VAL 111 N -2.45 0.00 0.36 -3.33 0.31 -1.26 -4.44 118.33 107.51 2wss n VAL 111 Ca -0.17 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.23 2wss n VAL 111 Cb 0.58 0.28 0.30 0.00 -0.91 0.00 0.00 33.84 34.09 2wss n VAL 111 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2wss n HIS 112 N -1.38 0.21 -3.41 3.52 -0.00 -1.26 -2.83 115.22 110.07 2wss n HIS 112 Ca 0.00 0.09 -0.39 0.00 -0.00 0.00 0.00 57.72 57.42 2wss n HIS 112 Cb 0.05 -0.64 -0.03 0.00 -0.00 0.00 0.00 29.99 29.36 2wss n HIS 112 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2wss n ARG 113 N -1.70 3.23 0.00 -0.41 1.74 -1.26 -5.00 116.66 113.26 2wss n ARG 113 Ca 0.02 -4.51 0.00 0.00 -0.77 0.00 0.00 57.85 52.59 2wss n ARG 113 Cb 0.14 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.13 2wss n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wss n GLY 114 N 2.04 0.00 0.00 -0.13 0.00 -1.13 -4.80 105.19 101.17 2wss n GLY 114 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2wss n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wss n GLU 115 N 0.00 0.00 0.00 1.61 1.02 -1.26 -2.93 120.64 119.08 2wss n GLU 115 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2wss n GLU 115 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2wss n GLU 115 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wss n VAL 116 N -1.55 0.00 -1.04 2.62 0.31 -1.26 -4.42 118.33 112.99 2wss n VAL 116 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 2wss n VAL 116 Cb 0.00 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.00 2wss n VAL 116 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2wss n PRO 117 N 0.00 -0.00 -2.97 5.55 -0.02 -1.26 -4.71 135.00 131.58 2wss n PRO 117 Ca 0.00 0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.40 2wss n PRO 117 Cb 0.24 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 2wss n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wss n THR 119 N -0.40 0.00 -4.43 0.00 -2.24 -1.26 -4.90 114.28 101.05 2wss n THR 119 Ca -0.04 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.48 2wss n THR 119 Cb 0.24 -0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 68.09 2wss n THR 119 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wss s VAL 120 N 0.55 2.34 0.00 2.28 1.01 -1.26 -4.80 120.40 120.52 2wss s VAL 120 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 59.85 2wss s VAL 120 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.23 2wss s VAL 120 CO 0.00 -0.21 0.00 0.35 0.00 0.00 0.00 175.10 175.24 2wss n THR 121 N 0.02 0.00 -2.90 3.92 -2.24 -1.26 -4.48 114.28 107.33 2wss n THR 121 Ca -0.11 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.65 2wss n THR 121 Cb 0.57 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2wss n THR 121 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2wss n THR 122 N 1.35 -8.73 -2.58 4.28 -2.24 -1.26 -4.95 114.28 100.15 2wss n THR 122 Ca 0.00 1.30 -0.39 0.00 -2.27 0.00 0.00 64.05 62.69 2wss n THR 122 Cb 0.00 -5.69 -0.05 0.00 -2.10 0.00 0.00 70.33 62.49 2wss n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wss s ALA 123 N -1.53 3.30 0.00 6.98 0.00 -1.26 -4.95 121.76 124.30 2wss s ALA 123 Ca 0.04 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2wss s ALA 123 Cb -0.01 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2wss s ALA 123 CO 0.56 -0.06 0.00 -1.13 0.00 0.00 0.00 175.76 175.14 2wss n SER 124 N 0.91 0.00 -2.65 0.00 3.41 -1.26 -4.92 113.62 109.11 2wss n SER 124 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2wss n SER 124 Cb 0.47 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.49 2wss n SER 124 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wss n ALA 125 N 0.00 -3.25 -1.67 7.33 0.00 -1.26 -4.38 120.51 117.27 2wss n ALA 125 Ca 0.00 -0.28 -0.56 0.00 0.00 0.00 0.00 53.44 52.61 2wss n ALA 125 Cb 0.00 -2.61 -0.07 0.00 0.00 0.00 0.00 19.45 16.77 2wss n ALA 125 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wss n LEU 126 N 0.17 2.50 -2.80 0.00 4.77 -1.26 -4.38 117.00 115.99 2wss n LEU 126 Ca -0.15 0.99 -0.23 0.00 -0.03 0.00 0.00 56.01 56.58 2wss n LEU 126 Cb 0.72 -1.18 -0.02 0.00 -2.33 0.00 0.00 43.42 40.61 2wss n LEU 126 CO -0.12 -0.40 0.06 0.47 -1.33 0.00 0.00 177.39 176.07 2wss n ASP 127 N 6.08 3.57 -4.53 -1.43 9.92 -1.26 -5.01 116.55 123.89 2wss n ASP 127 Ca 0.28 -3.46 -0.23 0.00 -0.53 0.00 0.00 54.79 50.85 2wss n ASP 127 Cb 0.16 -0.54 -0.12 0.00 -0.64 0.00 0.00 41.12 39.98 2wss n ASP 127 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wss n GLU 128 N -0.21 0.41 -1.80 -1.24 1.02 -1.26 -4.65 120.64 112.91 2wss n GLU 128 Ca 0.30 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2wss n GLU 128 Cb 0.57 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 2wss n GLU 128 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wss n THR 129 N 7.56 0.00 -0.01 2.62 -2.24 -1.15 -5.05 114.28 116.01 2wss n THR 129 Ca 0.54 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.35 2wss n THR 129 Cb 0.32 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.47 2wss n THR 129 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2wss n THR 130 N 0.00 0.08 -2.63 4.28 -2.24 -1.26 -4.72 114.28 107.80 2wss n THR 130 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2wss n THR 130 Cb 0.00 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2wss n THR 130 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wss n LEU 131 N -1.91 0.00 -4.01 3.22 4.77 -1.26 -5.17 117.00 112.65 2wss n LEU 131 Ca -0.04 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 2wss n LEU 131 Cb 0.33 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.29 2wss n LEU 131 CO 0.21 0.00 -0.39 0.42 -1.33 0.00 0.00 177.39 176.29 2wss s THR 132 N 1.13 0.42 -1.34 -5.08 -4.23 -1.26 -4.73 115.64 100.54 2wss s THR 132 Ca 0.00 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 2wss s THR 132 Cb 0.00 -0.45 0.00 0.00 1.34 0.00 0.00 72.50 73.39 2wss s THR 132 CO 0.00 -0.23 0.00 -0.62 -0.54 0.00 0.00 174.62 173.23 2wss n GLU 133 N 2.02 -1.40 -0.03 3.99 1.02 -1.26 -4.80 120.64 120.17 2wss n GLU 133 Ca -0.19 0.75 -0.13 0.00 -0.02 0.00 0.00 57.16 57.56 2wss n GLU 133 Cb 0.56 -5.04 -0.09 0.00 -0.02 0.00 0.00 31.44 26.85 2wss n GLU 133 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2wss h LEU 134 N 0.00 0.15 -5.36 -4.62 3.38 -2.02 -3.38 115.31 103.46 2wss h LEU 134 Ca -0.27 -0.53 -0.54 0.00 0.09 0.00 0.00 57.88 56.63 2wss h LEU 134 Cb 0.90 -0.04 -0.41 0.00 0.09 0.00 0.00 40.66 41.19 2wss h LEU 134 CO 0.39 0.65 -0.85 0.29 0.09 0.00 0.00 178.44 179.00 2wss n LYS 135 N -4.72 2.49 0.00 1.13 5.02 -1.26 -4.63 118.16 116.19 2wss n LYS 135 Ca -0.08 -4.29 0.07 0.00 -2.02 0.00 0.00 58.31 52.00 2wss n LYS 135 Cb 0.32 -2.02 -0.05 0.00 -0.02 0.00 0.00 35.03 33.26 2wss n LYS 135 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wss n THR 136 N -0.12 0.00 -0.06 -0.18 -2.24 -1.26 -4.51 114.28 105.91 2wss n THR 136 Ca 0.29 -0.22 -0.06 0.00 -2.27 0.00 0.00 64.05 61.79 2wss n THR 136 Cb 0.53 1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 69.73 2wss n THR 136 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2wss n VAL 137 N -0.85 0.88 0.05 2.28 0.31 -1.26 -4.31 118.33 115.43 2wss n VAL 137 Ca 0.04 -0.57 -0.13 0.00 -0.01 0.00 0.00 64.34 63.68 2wss n VAL 137 Cb 0.28 -0.58 -0.08 0.00 -0.91 0.00 0.00 33.84 32.55 2wss n VAL 137 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wss h LEU 138 N 0.00 -0.07 -3.08 7.52 3.38 -1.85 -2.75 115.31 118.46 2wss h LEU 138 Ca -0.35 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.39 2wss h LEU 138 Cb 1.77 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.48 2wss h LEU 138 CO 0.02 0.09 0.13 0.29 0.09 0.00 0.00 178.44 179.06 2wss n LYS 139 N -5.06 3.44 -0.58 1.13 5.02 -1.26 -1.75 118.16 119.10 2wss n LYS 139 Ca -0.08 -2.35 0.08 0.00 -2.02 0.00 0.00 58.31 53.94 2wss n LYS 139 Cb 0.12 -2.03 0.32 0.00 -0.02 0.00 0.00 35.03 33.42 2wss n LYS 139 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wss n SER 140 N 0.16 4.54 -0.11 4.39 3.41 -1.05 -4.38 113.62 120.58 2wss n SER 140 Ca 0.27 -2.63 -0.18 0.00 -0.26 0.00 0.00 58.87 56.08 2wss n SER 140 Cb 1.08 -0.55 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 2wss n SER 140 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2wss n PHE 141 N 0.56 0.00 -0.34 7.33 3.72 -0.72 -3.83 117.46 124.19 2wss n PHE 141 Ca 0.23 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.84 2wss n PHE 141 Cb 0.90 -0.84 0.42 0.00 -0.94 0.00 0.00 39.48 39.02 2wss n PHE 141 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2wss h LEU 142 N -0.21 0.55 -0.02 4.37 3.38 -1.76 -1.69 115.31 119.94 2wss h LEU 142 Ca -0.51 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2wss h LEU 142 Cb 1.70 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2wss h LEU 142 CO -0.15 -0.03 -0.68 -1.54 0.09 0.00 0.00 178.44 176.14 2wss n SER 143 N -4.99 0.71 0.33 -0.43 3.41 -1.26 -3.95 113.62 107.43 2wss n SER 143 Ca 0.29 -0.55 0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2wss n SER 143 Cb 0.85 0.52 0.68 0.00 -0.26 0.00 0.00 64.21 66.01 2wss n SER 143 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2wss h LYS 144 N 0.04 0.00 0.00 4.33 1.57 -1.40 -3.36 116.57 117.74 2wss h LYS 144 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wss h LYS 144 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2wss h LYS 144 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2wss n GLY 145 N -1.28 1.19 0.00 3.86 0.00 -1.25 -5.12 105.19 102.59 2wss n GLY 145 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2wss n GLY 145 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26