#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 s VAL 4 N 0.00 5.36 0.36 3.15 0.11 -1.26 -4.24 120.40 123.88 2wh2 s VAL 4 Ca 0.00 0.40 -0.27 0.00 -2.93 0.00 0.00 61.98 59.18 2wh2 s VAL 4 Cb 0.00 -3.50 -0.09 0.00 -1.53 0.00 0.00 36.38 31.26 2wh2 s VAL 4 CO 0.00 0.60 1.20 0.00 -3.33 0.00 0.00 175.10 173.57 2wh2 n GLU 6 N 0.47 0.74 0.00 0.00 1.02 -0.96 -3.56 120.64 118.35 2wh2 n GLU 6 Ca 0.02 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2wh2 n GLU 6 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2wh2 n GLU 6 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wh2 n ILE 7 N -1.10 0.00 0.66 -3.67 5.41 -1.26 -4.81 119.36 114.59 2wh2 n ILE 7 Ca 0.19 0.00 0.13 0.00 1.00 0.00 0.00 62.75 64.07 2wh2 n ILE 7 Cb 0.19 -0.63 0.36 0.00 -0.71 0.00 0.00 39.64 38.84 2wh2 n ILE 7 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2wh2 n SER 8 N -2.38 0.70 0.00 4.38 3.41 -1.26 -4.92 113.62 113.55 2wh2 n SER 8 Ca 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2wh2 n SER 8 Cb 0.26 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2wh2 n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh2 n GLY 9 N 1.34 2.84 3.53 5.00 0.00 -1.23 -4.98 105.19 111.68 2wh2 n GLY 9 Ca 0.05 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.57 2wh2 n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh2 n LYS 10 N -2.00 0.72 -4.18 1.61 5.02 -1.26 -4.53 118.16 113.55 2wh2 n LYS 10 Ca 0.00 0.26 -0.11 0.00 -2.02 0.00 0.00 58.31 56.44 2wh2 n LYS 10 Cb 0.00 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.26 2wh2 n LYS 10 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wh2 s ARG 11 N -0.50 1.07 0.96 1.97 1.70 -1.26 0.37 118.95 123.25 2wh2 s ARG 11 Ca 0.74 -1.54 -0.11 0.00 -0.47 0.00 0.00 55.73 54.36 2wh2 s ARG 11 Cb -0.94 0.25 0.17 0.00 -0.57 0.00 0.00 34.95 33.86 2wh2 s ARG 11 CO 0.54 -0.33 1.12 -1.25 -1.08 0.00 0.00 175.30 174.31 2wh2 s PRO 12 N -4.10 0.70 0.08 3.89 0.04 -1.26 -4.73 135.00 129.61 2wh2 s PRO 12 Ca 0.32 1.39 0.02 0.00 0.04 0.00 0.00 61.00 62.76 2wh2 s PRO 12 Cb 0.07 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 2wh2 s PRO 12 CO 0.07 -2.80 -0.07 0.96 0.04 0.00 0.00 177.00 175.20 2wh2 s ILE 13 N -2.63 0.61 0.03 0.56 -4.36 -1.20 -4.96 121.20 109.25 2wh2 s ILE 13 Ca 0.67 -1.62 -0.10 0.00 -0.26 0.00 0.00 60.65 59.34 2wh2 s ILE 13 Cb -0.23 -1.28 -0.05 0.00 1.25 0.00 0.00 42.46 42.14 2wh2 s ILE 13 CO 0.59 -0.71 0.35 -0.69 0.24 0.00 0.00 174.94 174.73 2wh2 s VAL 14 N -2.84 5.16 0.26 8.37 1.01 -1.26 -0.75 120.40 130.34 2wh2 s VAL 14 Ca 0.04 0.45 -0.17 0.00 0.00 0.00 0.00 61.98 62.30 2wh2 s VAL 14 Cb -0.00 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2wh2 s VAL 14 CO -0.03 0.39 0.59 0.00 0.00 0.00 0.00 175.10 176.05 2wh2 s ALA 15 N -1.29 -0.70 0.30 5.51 0.00 -1.01 -4.94 121.76 119.63 2wh2 s ALA 15 Ca 0.29 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 51.70 2wh2 s ALA 15 Cb -0.14 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 2wh2 s ALA 15 CO 0.16 -0.94 0.34 -0.80 0.00 0.00 0.00 175.76 174.52 2wh2 s ASN 16 N -2.97 5.74 -0.34 0.00 0.01 -1.26 -2.27 114.94 113.84 2wh2 s ASN 16 Ca 0.17 -0.25 -0.05 0.00 -0.71 0.00 0.00 52.86 52.02 2wh2 s ASN 16 Cb -0.03 -1.29 0.05 0.00 0.41 0.00 0.00 41.25 40.39 2wh2 s ASN 16 CO 0.08 -0.27 0.10 -0.55 -1.51 0.00 0.00 177.10 174.95 2wh2 s SER 17 N -4.02 5.22 -0.32 -1.22 0.15 0.31 -4.94 113.70 108.87 2wh2 s SER 17 Ca 0.40 -1.32 -0.11 0.00 0.70 0.00 0.00 55.95 55.61 2wh2 s SER 17 Cb -0.08 -1.83 -0.01 0.00 -1.71 0.00 0.00 66.02 62.39 2wh2 s SER 17 CO 0.28 -0.35 0.19 -0.63 1.20 0.00 0.00 173.24 173.93 2wh2 s ILE 18 N 1.33 4.88 -0.31 6.45 1.09 -1.26 -0.84 121.20 132.54 2wh2 s ILE 18 Ca -0.01 -0.35 -0.18 0.00 -1.10 0.00 0.00 60.65 59.01 2wh2 s ILE 18 Cb -0.20 -3.50 -0.01 0.00 -1.06 0.00 0.00 42.46 37.68 2wh2 s ILE 18 CO 0.01 0.03 0.54 -1.10 -0.10 0.00 0.00 174.94 174.31 2wh2 s GLN 19 N 1.66 3.84 0.14 2.79 -1.52 0.16 -5.00 119.66 121.72 2wh2 s GLN 19 Ca 0.05 0.10 0.10 0.00 -1.95 0.00 0.00 55.36 53.66 2wh2 s GLN 19 Cb -0.17 -3.74 -0.04 0.00 -0.22 0.00 0.00 33.01 28.84 2wh2 s GLN 19 CO 0.08 -0.53 -0.24 1.03 -0.25 0.00 0.00 175.29 175.39 2wh2 s ARG 20 N 2.42 1.31 0.12 2.91 0.52 -1.26 0.13 118.95 125.10 2wh2 s ARG 20 Ca 0.21 -1.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.14 2wh2 s ARG 20 Cb -0.15 -1.66 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 2wh2 s ARG 20 CO 0.12 0.38 -0.11 1.03 0.02 0.00 0.00 175.30 176.74 2wh2 s ARG 21 N -2.19 0.95 0.00 3.54 0.52 -0.17 -4.86 118.95 116.73 2wh2 s ARG 21 Ca 0.13 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 2wh2 s ARG 21 Cb -0.09 -0.64 0.00 0.00 0.52 0.00 0.00 34.95 34.74 2wh2 s ARG 21 CO 0.06 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.89 2wh2 n GLY 22 N 0.34 2.30 3.76 -3.53 0.00 -1.26 -0.86 105.19 105.93 2wh2 n GLY 22 Ca -0.14 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 2wh2 n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wh2 s LYS 23 N -4.57 4.50 1.18 1.61 2.20 -1.26 -4.58 119.74 118.82 2wh2 s LYS 23 Ca 0.00 1.98 -0.18 0.00 -0.36 0.00 0.00 55.97 57.42 2wh2 s LYS 23 Cb 0.00 -3.15 0.21 0.00 -1.51 0.00 0.00 37.83 33.38 2wh2 s LYS 23 CO 0.00 -0.01 0.42 0.00 -0.36 0.00 0.00 175.35 175.40 2wh2 n ALA 24 N 1.33 -3.29 -0.08 3.13 0.00 -1.26 -3.61 120.51 116.73 2wh2 n ALA 24 Ca 0.01 -1.35 -0.22 0.00 0.00 0.00 0.00 53.44 51.87 2wh2 n ALA 24 Cb 0.43 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 2wh2 n ALA 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wh2 n LYS 25 N -3.22 0.66 0.23 0.00 4.81 -1.26 -2.00 118.16 117.38 2wh2 n LYS 25 Ca 0.05 0.31 0.18 0.00 -0.87 0.00 0.00 58.31 57.97 2wh2 n LYS 25 Cb 0.53 -1.63 0.83 0.00 0.02 0.00 0.00 35.03 34.78 2wh2 n LYS 25 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 2wh2 h ARG 26 N -0.39 0.00 0.00 1.64 0.11 -1.93 -3.09 114.38 110.72 2wh2 h ARG 26 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2wh2 h ARG 26 Cb 1.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.84 2wh2 h ARG 26 CO -0.12 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.34 2wh2 n GLU 27 N -3.34 0.00 0.00 0.08 1.02 -1.26 -5.03 120.64 112.11 2wh2 n GLU 27 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2wh2 n GLU 27 Cb 0.42 -0.43 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 2wh2 n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wh2 n GLY 28 N 1.67 0.13 0.00 0.62 0.00 -0.85 -5.03 105.19 101.73 2wh2 n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh2 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh2 n GLY 29 N 4.78 2.81 4.66 -0.02 0.00 -0.93 -4.65 105.19 111.84 2wh2 n GLY 29 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2wh2 n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wh2 n VAL 30 N 0.00 0.00 0.00 1.61 0.24 -1.26 -4.33 118.33 114.59 2wh2 n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wh2 n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wh2 n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wh2 n GLY 31 N 0.00 -0.10 3.79 7.63 0.00 -1.24 -4.97 105.19 110.32 2wh2 n GLY 31 Ca 0.00 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 2wh2 n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wh2 s LYS 32 N -1.57 3.12 -0.08 1.61 2.47 -1.25 -4.47 119.74 119.57 2wh2 s LYS 32 Ca 0.00 1.24 -0.03 0.00 -1.56 0.00 0.00 55.97 55.61 2wh2 s LYS 32 Cb 0.00 -2.00 0.05 0.00 -1.46 0.00 0.00 37.83 34.41 2wh2 s LYS 32 CO 0.00 -0.97 0.16 0.15 0.16 0.00 0.00 175.35 174.85 2wh2 s LYS 33 N -4.17 0.04 -0.45 4.03 1.02 -0.04 -4.98 119.74 115.20 2wh2 s LYS 33 Ca 0.64 0.54 -0.28 0.00 0.02 0.00 0.00 55.97 56.90 2wh2 s LYS 33 Cb -0.17 -0.26 -0.01 0.00 -0.52 0.00 0.00 37.83 36.87 2wh2 s LYS 33 CO 0.40 -0.29 1.73 0.99 -0.92 0.00 0.00 175.35 177.26 2wh2 s THR 34 N 2.16 3.53 -0.04 2.17 2.01 -1.26 -1.00 115.64 123.21 2wh2 s THR 34 Ca 0.02 0.48 0.21 0.00 0.31 0.00 0.00 61.69 62.71 2wh2 s THR 34 Cb -0.12 -3.88 0.20 0.00 0.01 0.00 0.00 72.50 68.72 2wh2 s THR 34 CO -0.06 -0.67 1.68 0.00 -0.69 0.00 0.00 174.62 174.89 2wh2 h THR 35 N 6.75 0.55 -1.12 -0.82 1.03 0.77 -3.47 112.91 116.61 2wh2 h THR 35 Ca -0.30 -1.42 0.21 0.00 -0.01 0.00 0.00 66.41 64.89 2wh2 h THR 35 Cb 1.15 1.99 -0.29 0.00 -1.07 0.00 0.00 68.15 69.94 2wh2 h THR 35 CO 1.11 0.27 0.88 -0.83 -0.01 0.00 0.00 175.52 176.94 2wh2 s GLY 36 N -4.33 0.14 -0.17 2.99 0.00 -1.13 -4.99 107.32 99.82 2wh2 s GLY 36 Ca 0.02 2.99 0.00 0.00 0.00 0.00 0.00 44.72 47.74 2wh2 s GLY 36 CO 0.67 1.39 -0.09 -0.42 0.00 0.00 0.00 173.10 174.65 2wh2 s ILE 37 N -0.65 1.42 0.17 0.90 1.01 -1.26 0.36 121.20 123.14 2wh2 s ILE 37 Ca 0.07 -0.78 0.11 0.00 0.00 0.00 0.00 60.65 60.05 2wh2 s ILE 37 Cb -0.02 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 2wh2 s ILE 37 CO -0.10 0.21 -0.25 -0.55 0.00 0.00 0.00 174.94 174.25 2wh2 s SER 38 N 1.51 3.39 0.76 3.58 0.15 -0.02 -4.91 113.70 118.17 2wh2 s SER 38 Ca 0.01 -0.81 -0.12 0.00 0.70 0.00 0.00 55.95 55.73 2wh2 s SER 38 Cb -0.15 -0.24 0.05 0.00 -1.71 0.00 0.00 66.02 63.97 2wh2 s SER 38 CO -0.08 0.15 1.12 -0.75 1.20 0.00 0.00 173.24 174.87 2wh2 s LYS 39 N -2.40 2.36 0.00 5.44 2.47 -1.26 0.11 119.74 126.46 2wh2 s LYS 39 Ca 0.18 0.41 0.00 0.00 -1.56 0.00 0.00 55.97 55.00 2wh2 s LYS 39 Cb -0.09 -1.97 0.00 0.00 -1.46 0.00 0.00 37.83 34.31 2wh2 s LYS 39 CO 0.08 -1.38 0.00 2.89 0.16 0.00 0.00 175.35 177.10 2wh2 n ARG 40 N -3.23 0.00 -4.00 4.03 1.85 -0.96 -4.69 116.66 109.66 2wh2 n ARG 40 Ca 0.07 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.61 2wh2 n ARG 40 Cb 0.58 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.93 2wh2 n ARG 40 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2wh2 s ARG 41 N -2.00 3.09 -0.60 2.89 0.52 -1.26 -2.39 118.95 119.20 2wh2 s ARG 41 Ca 0.00 -0.59 0.04 0.00 -0.52 0.00 0.00 55.73 54.66 2wh2 s ARG 41 Cb 0.00 -2.85 0.16 0.00 0.52 0.00 0.00 34.95 32.79 2wh2 s ARG 41 CO 0.00 0.58 0.42 -0.65 0.02 0.00 0.00 175.30 175.67 2wh2 s GLN 42 N -2.43 1.98 0.81 3.54 -0.21 0.07 -4.92 119.66 118.49 2wh2 s GLN 42 Ca 0.31 -2.89 -0.13 0.00 0.02 0.00 0.00 55.36 52.68 2wh2 s GLN 42 Cb -0.12 -2.88 0.08 0.00 1.00 0.00 0.00 33.01 31.09 2wh2 s GLN 42 CO 0.24 -1.28 1.17 0.71 -2.12 0.00 0.00 175.29 174.01 2wh2 s TYR 43 N -0.86 1.93 -0.15 0.91 1.51 -1.26 -3.25 117.35 116.18 2wh2 s TYR 43 Ca 0.25 1.67 -0.15 0.00 -1.01 0.00 0.00 57.07 57.84 2wh2 s TYR 43 Cb -0.06 -3.38 -0.05 0.00 -0.11 0.00 0.00 41.96 38.36 2wh2 s TYR 43 CO -0.14 -2.61 0.35 -1.25 -1.11 0.00 0.00 175.55 170.79 2wh2 s PRO 44 N -4.31 4.27 -0.81 -1.71 0.04 -1.26 -4.96 135.00 126.25 2wh2 s PRO 44 Ca 0.70 0.20 -0.19 0.00 0.04 0.00 0.00 61.00 61.75 2wh2 s PRO 44 Cb -0.25 -3.43 -0.19 0.00 0.04 0.00 0.00 34.50 30.67 2wh2 s PRO 44 CO 0.52 0.22 2.13 -1.71 0.04 0.00 0.00 177.00 178.19 2wh2 n ASN 45 N 3.58 0.50 -4.31 6.66 4.05 -1.26 -4.85 115.26 119.64 2wh2 n ASN 45 Ca -0.10 -1.49 -0.34 0.00 0.45 0.00 0.00 54.58 53.09 2wh2 n ASN 45 Cb 0.52 -1.30 -0.14 0.00 1.23 0.00 0.00 39.78 40.09 2wh2 n ASN 45 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 2wh2 s LEU 46 N 10.34 2.79 0.00 1.20 0.20 -1.26 0.06 118.68 132.00 2wh2 s LEU 46 Ca 0.89 -0.40 0.00 0.00 0.69 0.00 0.00 54.13 55.31 2wh2 s LEU 46 Cb -0.26 -1.69 0.00 0.00 -0.43 0.00 0.00 46.19 43.81 2wh2 s LEU 46 CO 0.21 0.02 0.00 0.00 -0.29 0.00 0.00 176.35 176.29 2wh2 n GLN 47 N 4.49 2.92 -4.87 1.98 1.13 -0.78 -4.97 117.38 117.27 2wh2 n GLN 47 Ca -0.18 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.61 2wh2 n GLN 47 Cb 0.51 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.70 2wh2 n GLN 47 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2wh2 s LYS 48 N 0.31 1.99 -0.06 -1.09 1.02 -1.26 -3.01 119.74 117.64 2wh2 s LYS 48 Ca 0.00 -0.63 0.05 0.00 0.02 0.00 0.00 55.97 55.42 2wh2 s LYS 48 Cb 0.00 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.63 2wh2 s LYS 48 CO 0.00 0.20 -0.24 0.08 -0.92 0.00 0.00 175.35 174.48 2wh2 s VAL 49 N 0.19 2.19 0.38 3.17 1.01 0.11 -4.92 120.40 122.53 2wh2 s VAL 49 Ca -0.08 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 60.97 2wh2 s VAL 49 Cb -0.13 -1.81 -0.06 0.00 0.00 0.00 0.00 36.38 34.38 2wh2 s VAL 49 CO 0.04 0.57 0.04 -0.13 0.00 0.00 0.00 175.10 175.61 2wh2 s ARG 50 N -0.16 2.05 0.00 2.72 0.52 -1.24 0.63 118.95 123.47 2wh2 s ARG 50 Ca -0.04 -1.89 0.00 0.00 -0.52 0.00 0.00 55.73 53.28 2wh2 s ARG 50 Cb -0.14 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.50 2wh2 s ARG 50 CO 0.04 0.03 0.00 1.55 0.02 0.00 0.00 175.30 176.94 2wh2 n VAL 51 N -1.00 0.00 0.00 3.52 3.14 -0.63 -4.86 118.33 118.49 2wh2 n VAL 51 Ca -0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2wh2 n VAL 51 Cb 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.42 2wh2 n VAL 51 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2wh2 n ARG 52 N -0.25 0.00 -1.60 1.45 5.12 -1.26 0.11 116.66 120.23 2wh2 n ARG 52 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wh2 n ARG 52 Cb 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 32.46 31.25 2wh2 n ARG 52 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wh2 n VAL 53 N 0.00 -8.92 0.00 1.55 0.31 -1.26 -4.03 118.33 105.98 2wh2 n VAL 53 Ca 0.00 1.99 0.00 0.00 -0.01 0.00 0.00 64.34 66.32 2wh2 n VAL 53 Cb 0.00 -4.46 0.00 0.00 -0.91 0.00 0.00 33.84 28.47 2wh2 n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh2 n ALA 54 N 1.12 0.00 0.00 3.52 0.00 -1.26 -2.96 120.51 120.92 2wh2 n ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wh2 n ALA 54 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wh2 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh2 n GLY 55 N 0.00 -0.33 3.19 0.00 0.00 -1.26 -5.08 105.19 101.71 2wh2 n GLY 55 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2wh2 n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh2 n GLN 56 N -2.08 -3.77 -4.46 1.61 1.13 -1.16 -4.88 117.38 103.77 2wh2 n GLN 56 Ca 0.00 -1.11 -0.33 0.00 -1.94 0.00 0.00 57.00 53.62 2wh2 n GLN 56 Cb 0.00 -1.82 -0.10 0.00 0.11 0.00 0.00 30.24 28.43 2wh2 n GLN 56 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2wh2 s GLU 57 N -4.47 2.65 -0.04 -1.09 2.12 -1.25 -4.09 118.70 112.53 2wh2 s GLU 57 Ca 0.58 -0.65 0.02 0.00 0.36 0.00 0.00 54.97 55.29 2wh2 s GLU 57 Cb -0.12 -2.56 0.01 0.00 0.26 0.00 0.00 34.13 31.71 2wh2 s GLU 57 CO 0.52 0.62 -0.10 -1.50 -0.54 0.00 0.00 175.26 174.26 2wh2 s ILE 58 N -0.96 0.90 -0.05 -3.70 2.07 0.29 -4.87 121.20 114.88 2wh2 s ILE 58 Ca 0.16 -0.40 -0.05 0.00 -1.41 0.00 0.00 60.65 58.96 2wh2 s ILE 58 Cb -0.11 -0.81 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 2wh2 s ILE 58 CO 0.06 0.28 0.17 0.42 -1.91 0.00 0.00 174.94 173.97 2wh2 s THR 59 N 0.36 5.45 -0.16 4.00 -4.23 -1.24 -1.61 115.64 118.21 2wh2 s THR 59 Ca -0.07 0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 60.41 2wh2 s THR 59 Cb -0.11 -3.49 0.06 0.00 1.34 0.00 0.00 72.50 70.30 2wh2 s THR 59 CO 0.01 0.44 0.08 -0.36 -0.54 0.00 0.00 174.62 174.26 2wh2 s PHE 60 N -1.21 0.26 -1.35 3.99 0.08 0.20 -4.93 117.98 115.03 2wh2 s PHE 60 Ca 0.23 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.83 2wh2 s PHE 60 Cb -0.12 -0.71 0.11 0.00 -0.57 0.00 0.00 43.02 41.73 2wh2 s PHE 60 CO 0.13 -0.50 1.97 -2.13 -0.10 0.00 0.00 175.22 174.59 2wh2 n ARG 61 N 5.26 3.25 -2.99 0.44 0.63 -1.26 -0.71 116.66 121.28 2wh2 n ARG 61 Ca -0.07 -3.16 -0.19 0.00 -0.92 0.00 0.00 57.85 53.51 2wh2 n ARG 61 Cb 0.49 -3.13 0.05 0.00 0.45 0.00 0.00 32.46 30.31 2wh2 n ARG 61 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wh2 s VAL 62 N 1.97 2.41 1.02 5.15 0.11 -1.16 -2.26 120.40 127.64 2wh2 s VAL 62 Ca 0.44 -0.97 -0.15 0.00 -2.93 0.00 0.00 61.98 58.37 2wh2 s VAL 62 Cb 0.10 -2.44 0.20 0.00 -1.53 0.00 0.00 36.38 32.71 2wh2 s VAL 62 CO -0.03 0.00 1.18 0.00 -3.33 0.00 0.00 175.10 172.92 2wh2 s ALA 63 N -2.60 1.52 -0.06 1.54 0.00 -1.26 -1.87 121.76 119.03 2wh2 s ALA 63 Ca 0.60 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 2wh2 s ALA 63 Cb -0.07 -2.92 -0.30 0.00 0.00 0.00 0.00 23.12 19.82 2wh2 s ALA 63 CO 0.37 -2.74 0.64 0.00 0.00 0.00 0.00 175.76 174.04 2wh2 h ALA 64 N -1.88 0.18 0.00 0.00 0.00 -0.74 -3.27 119.26 113.56 2wh2 h ALA 64 Ca -0.47 -1.17 -0.02 0.00 0.00 0.00 0.00 54.91 53.25 2wh2 h ALA 64 Cb 1.29 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 2wh2 h ALA 64 CO 0.47 1.05 -0.11 0.66 0.00 0.00 0.00 179.25 181.32 2wh2 h SER 65 N 0.11 0.00 -0.52 0.00 4.64 -1.94 -2.75 113.55 113.09 2wh2 h SER 65 Ca -0.35 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.71 2wh2 h SER 65 Cb 2.10 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 64.04 2wh2 h SER 65 CO 0.17 0.11 0.11 1.41 -0.87 0.00 0.00 176.83 177.77 2wh2 n HIS 66 N -3.73 1.60 0.12 4.77 -0.00 -1.25 -4.69 115.22 112.04 2wh2 n HIS 66 Ca -0.02 -1.61 -0.06 0.00 -0.00 0.00 0.00 57.72 56.03 2wh2 n HIS 66 Cb 0.22 -0.60 -0.03 0.00 -0.00 0.00 0.00 29.99 29.58 2wh2 n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2wh2 h ILE 67 N 1.11 0.00 -1.40 1.59 2.04 -1.53 -3.21 117.51 116.11 2wh2 h ILE 67 Ca 0.31 -0.64 0.44 0.00 1.00 0.00 0.00 64.86 65.97 2wh2 h ILE 67 Cb 1.96 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.94 2wh2 h ILE 67 CO 0.56 0.00 0.94 1.55 0.00 0.00 0.00 178.15 181.20 2wh2 h PRO 68 N -1.03 0.08 -0.93 2.37 0.13 -1.83 0.84 132.00 131.64 2wh2 h PRO 68 Ca -0.04 -0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.21 2wh2 h PRO 68 Cb 0.29 -0.02 -0.09 0.00 0.13 0.00 0.00 31.00 31.32 2wh2 h PRO 68 CO 0.06 0.06 0.56 -0.22 -0.23 0.00 0.00 178.00 178.23 2wh2 h LYS 69 N 0.09 0.83 -0.57 0.86 1.63 -1.87 0.42 116.57 117.95 2wh2 h LYS 69 Ca 0.80 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.62 2wh2 h LYS 69 Cb 2.67 -0.19 -0.06 0.00 -0.60 0.00 0.00 32.23 34.05 2wh2 h LYS 69 CO -0.29 0.55 0.25 0.28 -3.45 0.00 0.00 179.45 176.79 2wh2 h VAL 70 N 0.86 0.86 0.20 2.00 2.07 0.66 -2.10 116.25 120.80 2wh2 h VAL 70 Ca 0.47 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.84 2wh2 h VAL 70 Cb 0.53 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2wh2 h VAL 70 CO -0.29 0.09 -0.27 1.88 0.02 0.00 0.00 177.57 179.00 2wh2 h TYR 71 N 0.47 -0.72 -0.60 1.57 -1.99 -0.94 -2.27 116.97 112.48 2wh2 h TYR 71 Ca 0.27 0.01 0.10 0.00 2.00 0.00 0.00 58.73 61.12 2wh2 h TYR 71 Cb 0.26 0.29 -0.11 0.00 2.00 0.00 0.00 36.73 39.17 2wh2 h TYR 71 CO -0.13 -0.38 -0.36 1.49 -0.00 0.00 0.00 178.16 178.77 2wh2 h GLU 72 N -0.53 -0.17 -0.93 4.88 4.81 -1.00 0.91 114.58 122.55 2wh2 h GLU 72 Ca 0.01 0.01 0.27 0.00 -0.13 0.00 0.00 59.36 59.52 2wh2 h GLU 72 Cb 0.52 0.04 -0.16 0.00 0.63 0.00 0.00 28.75 29.78 2wh2 h GLU 72 CO -0.10 -0.11 0.18 -0.07 -0.73 0.00 0.00 179.01 178.18 2wh2 h LEU 73 N -0.17 -0.16 -0.44 1.64 3.38 -0.82 1.07 115.31 119.81 2wh2 h LEU 73 Ca 0.22 0.24 -0.17 0.00 0.09 0.00 0.00 57.88 58.26 2wh2 h LEU 73 Cb 0.56 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2wh2 h LEU 73 CO -0.69 -0.27 -0.58 0.58 0.09 0.00 0.00 178.44 177.57 2wh2 h VAL 74 N 0.10 1.31 0.45 1.22 2.07 -0.52 -0.94 116.25 119.94 2wh2 h VAL 74 Ca 0.60 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 2wh2 h VAL 74 Cb 1.29 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2wh2 h VAL 74 CO -0.77 0.57 -0.22 -0.08 0.02 0.00 0.00 177.57 177.08 2wh2 h GLU 75 N 0.47 -0.59 0.00 1.57 4.57 0.17 0.07 114.58 120.84 2wh2 h GLU 75 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2wh2 h GLU 75 Cb 1.14 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 2wh2 h GLU 75 CO 0.11 -0.40 0.00 0.54 -1.18 0.00 0.00 179.01 178.09 2wh2 n ARG 76 N -5.36 0.43 -0.07 1.92 1.74 0.30 -2.13 116.66 113.49 2wh2 n ARG 76 Ca -0.11 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.83 2wh2 n ARG 76 Cb 0.26 -1.23 -0.14 0.00 -1.02 0.00 0.00 32.46 30.33 2wh2 n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wh2 n ALA 77 N -0.73 1.40 -0.35 7.54 0.00 -0.02 -4.54 120.51 123.81 2wh2 n ALA 77 Ca 0.05 -1.05 -0.09 0.00 0.00 0.00 0.00 53.44 52.35 2wh2 n ALA 77 Cb 0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 2wh2 n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh2 n LYS 78 N -3.04 -0.37 -1.51 0.00 5.02 -0.90 -1.70 118.16 115.64 2wh2 n LYS 78 Ca -0.32 1.31 -0.41 0.00 -2.02 0.00 0.00 58.31 56.87 2wh2 n LYS 78 Cb 1.08 -1.93 -0.04 0.00 -0.02 0.00 0.00 35.03 34.12 2wh2 n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh2 n GLY 79 N -1.21 2.76 3.62 0.72 0.00 -1.26 -4.71 105.19 105.11 2wh2 n GLY 79 Ca 0.02 -1.27 -0.00 0.00 0.00 0.00 0.00 46.02 44.76 2wh2 n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wh2 s LEU 80 N 3.05 -0.34 -0.25 0.99 0.20 -0.69 -5.11 118.68 116.53 2wh2 s LEU 80 Ca 0.56 0.53 -0.29 0.00 0.69 0.00 0.00 54.13 55.63 2wh2 s LEU 80 Cb 0.11 1.48 -0.01 0.00 -0.43 0.00 0.00 46.19 47.34 2wh2 s LEU 80 CO 0.07 -0.08 1.44 -0.54 -0.29 0.00 0.00 176.35 176.95 2wh2 s LYS 81 N 1.30 3.88 -0.03 1.98 1.02 -1.26 -5.00 119.74 121.64 2wh2 s LYS 81 Ca -0.08 1.46 -0.03 0.00 0.02 0.00 0.00 55.97 57.34 2wh2 s LYS 81 Cb -0.03 -3.94 0.01 0.00 -0.52 0.00 0.00 37.83 33.35 2wh2 s LYS 81 CO -0.13 -1.17 0.08 -0.51 -0.92 0.00 0.00 175.35 172.70 2wh2 s LEU 82 N 4.67 1.63 0.00 3.17 1.43 -1.26 -5.12 118.68 123.20 2wh2 s LEU 82 Ca 0.63 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 2wh2 s LEU 82 Cb -0.21 0.28 0.00 0.00 0.03 0.00 0.00 46.19 46.29 2wh2 s LEU 82 CO 0.25 -0.04 0.00 -1.84 0.23 0.00 0.00 176.35 174.96 2wh2 n GLU 83 N 3.11 0.00 -1.77 1.70 0.28 -1.26 -4.87 120.64 117.84 2wh2 n GLU 83 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 2wh2 n GLU 83 Cb 0.59 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.46 2wh2 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wh2 n GLY 84 N 0.00 0.00 0.41 -1.84 0.00 -1.26 -3.73 105.19 98.77 2wh2 n GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh2 n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wh2 n LEU 85 N 0.99 0.00 -3.20 0.99 4.77 -1.26 -4.92 117.00 114.37 2wh2 n LEU 85 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 2wh2 n LEU 85 Cb 0.21 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 2wh2 n LEU 85 CO 0.00 0.00 -0.23 -1.20 -1.33 0.00 0.00 177.39 174.63 2wh2 n SER 86 N 1.32 0.85 0.07 -1.43 7.64 -1.24 -4.93 113.62 115.89 2wh2 n SER 86 Ca 0.00 -2.89 -0.03 0.00 1.01 0.00 0.00 58.87 56.96 2wh2 n SER 86 Cb 0.00 -0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 62.55 2wh2 n SER 86 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2wh2 h PRO 87 N 3.68 -0.18 -0.06 1.43 0.13 -1.93 0.15 132.00 135.21 2wh2 h PRO 87 Ca 0.09 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 2wh2 h PRO 87 Cb 0.87 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2wh2 h PRO 87 CO 0.52 -0.12 -0.06 -0.22 -0.23 0.00 0.00 178.00 177.89 2wh2 h LYS 88 N -0.18 0.15 -0.88 0.86 3.11 -1.98 -3.19 116.57 114.45 2wh2 h LYS 88 Ca -0.02 -0.08 0.24 0.00 -2.81 0.00 0.00 60.65 57.98 2wh2 h LYS 88 Cb 0.14 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 31.23 2wh2 h LYS 88 CO 0.03 0.58 0.21 0.93 -2.81 0.00 0.00 179.45 178.39 2wh2 h GLU 89 N -0.27 0.18 -0.35 1.90 5.08 -1.92 0.74 114.58 119.93 2wh2 h GLU 89 Ca 0.01 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2wh2 h GLU 89 Cb 0.55 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2wh2 h GLU 89 CO 0.01 0.12 -0.13 0.82 -1.00 0.00 0.00 179.01 178.83 2wh2 h ILE 90 N 0.18 1.25 -0.09 3.13 1.08 -0.71 0.29 117.51 122.64 2wh2 h ILE 90 Ca 0.55 -1.11 -0.04 0.00 -0.39 0.00 0.00 64.86 63.87 2wh2 h ILE 90 Cb 1.11 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.98 2wh2 h ILE 90 CO -0.68 0.37 -0.10 0.50 -0.69 0.00 0.00 178.15 177.55 2wh2 h LYS 91 N 0.56 0.22 0.24 2.37 3.64 0.17 -2.63 116.57 121.14 2wh2 h LYS 91 Ca 0.10 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2wh2 h LYS 91 Cb 0.55 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2wh2 h LYS 91 CO 0.03 0.67 -0.36 -0.22 -2.27 0.00 0.00 179.45 177.30 2wh2 h LYS 92 N -0.20 -0.61 0.00 1.90 1.63 0.36 -1.13 116.57 118.52 2wh2 h LYS 92 Ca 0.01 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2wh2 h LYS 92 Cb 0.63 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 2wh2 h LYS 92 CO 0.02 -0.40 0.10 0.39 -3.45 0.00 0.00 179.45 176.11 2wh2 n GLU 93 N -4.55 0.00 -2.60 1.90 -0.58 1.00 -3.72 120.64 112.08 2wh2 n GLU 93 Ca -0.07 0.37 -0.43 0.00 -0.42 0.00 0.00 57.16 56.60 2wh2 n GLU 93 Cb 0.31 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 2wh2 n GLU 93 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wh2 n LEU 94 N -1.36 5.75 0.00 -4.62 4.77 -0.43 -4.83 117.00 116.28 2wh2 n LEU 94 Ca 0.00 -4.40 0.00 0.00 -0.03 0.00 0.00 56.01 51.58 2wh2 n LEU 94 Cb 0.10 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.59 2wh2 n LEU 94 CO 0.00 0.86 0.00 -0.11 -1.33 0.00 0.00 177.39 176.81 2wh2 n LEU 95 N 5.58 0.00 0.00 2.23 7.94 -1.24 -4.99 117.00 126.52 2wh2 n LEU 95 Ca 0.41 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 2wh2 n LEU 95 Cb 0.41 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2wh2 n LEU 95 CO 0.73 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 177.30