#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 n VAL 3 N 0.00 0.00 -1.69 5.15 0.31 -1.26 -4.32 118.33 116.52 2wh2 n VAL 3 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 2wh2 n VAL 3 Cb 0.00 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.08 2wh2 n VAL 3 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wh2 n LYS 4 N -1.19 1.14 -2.07 5.55 -0.00 -1.26 -5.08 118.16 115.26 2wh2 n LYS 4 Ca 0.00 -2.79 -0.41 0.00 -0.00 0.00 0.00 58.31 55.11 2wh2 n LYS 4 Cb 0.00 -1.23 -0.02 0.00 -0.00 0.00 0.00 35.03 33.78 2wh2 n LYS 4 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2wh2 s MET 5 N -2.38 4.32 0.13 -1.58 -1.94 -1.26 -5.01 119.30 111.58 2wh2 s MET 5 Ca 0.34 2.25 -0.16 0.00 -1.71 0.00 0.00 55.69 56.41 2wh2 s MET 5 Cb 0.33 -3.08 0.03 0.00 2.01 0.00 0.00 34.83 34.12 2wh2 s MET 5 CO -0.07 -0.28 0.41 -3.38 -0.01 0.00 0.00 175.02 171.69 2wh2 s HIS 6 N -0.73 -0.16 0.00 -0.03 -3.43 -1.26 -4.96 115.29 104.71 2wh2 s HIS 6 Ca 0.53 -0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.62 2wh2 s HIS 6 Cb -0.41 0.26 0.00 0.00 -1.43 0.00 0.00 32.58 31.00 2wh2 s HIS 6 CO 0.50 -0.72 0.01 1.33 -2.00 0.00 0.00 174.74 173.85 2wh2 n VAL 7 N -0.23 0.00 -3.16 -5.38 0.24 -1.26 -4.82 118.33 103.72 2wh2 n VAL 7 Ca -0.15 0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.02 2wh2 n VAL 7 Cb 0.64 -0.02 0.04 0.00 -1.47 0.00 0.00 33.84 33.02 2wh2 n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wh2 n LYS 8 N -1.61 0.75 0.00 7.34 4.01 -1.26 -5.00 118.16 122.38 2wh2 n LYS 8 Ca 0.00 -2.31 0.00 0.00 -0.51 0.00 0.00 58.31 55.49 2wh2 n LYS 8 Cb 0.00 -0.10 0.00 0.00 -0.51 0.00 0.00 35.03 34.42 2wh2 n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2wh2 n LYS 9 N -1.84 0.00 -0.30 1.97 2.85 -1.26 -5.01 118.16 114.58 2wh2 n LYS 9 Ca 0.10 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.44 2wh2 n LYS 9 Cb 0.44 0.00 0.24 0.00 -0.65 0.00 0.00 35.03 35.06 2wh2 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wh2 n GLY 10 N 0.00 1.56 0.00 2.58 0.00 -1.26 -4.15 105.19 103.92 2wh2 n GLY 10 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2wh2 n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh2 n ASP 11 N 1.00 0.00 -4.63 1.61 5.68 -1.26 -4.38 116.55 114.57 2wh2 n ASP 11 Ca 0.18 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 54.12 2wh2 n ASP 11 Cb 0.49 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.36 2wh2 n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2wh2 s THR 12 N 0.26 4.44 0.24 2.12 2.01 -1.26 -2.91 115.64 120.55 2wh2 s THR 12 Ca 0.00 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 61.86 2wh2 s THR 12 Cb 0.00 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 2wh2 s THR 12 CO 0.00 0.53 0.01 0.68 -0.69 0.00 0.00 174.62 175.15 2wh2 s VAL 13 N -0.12 1.00 -0.11 3.82 -7.23 -0.41 -3.70 120.40 113.65 2wh2 s VAL 13 Ca 0.05 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2wh2 s VAL 13 Cb -0.12 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 2wh2 s VAL 13 CO 0.02 -0.25 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.19 2wh2 s LEU 14 N -3.33 2.64 0.35 1.32 2.96 0.54 -0.57 118.68 122.58 2wh2 s LEU 14 Ca 0.30 -0.34 -0.20 0.00 -0.22 0.00 0.00 54.13 53.67 2wh2 s LEU 14 Cb 0.06 -1.58 -0.10 0.00 0.50 0.00 0.00 46.19 45.08 2wh2 s LEU 14 CO 0.10 0.19 0.86 -0.69 -1.32 0.00 0.00 176.35 175.49 2wh2 s VAL 15 N 0.18 4.46 0.00 1.68 1.01 -0.36 0.76 120.40 128.13 2wh2 s VAL 15 Ca -0.09 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.27 2wh2 s VAL 15 Cb -0.15 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2wh2 s VAL 15 CO 0.05 -0.11 0.47 0.00 0.00 0.00 0.00 175.10 175.51 2wh2 n ALA 16 N -0.12 1.04 -1.00 5.51 0.00 -0.15 -1.67 120.51 124.12 2wh2 n ALA 16 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2wh2 n ALA 16 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2wh2 n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wh2 n SER 17 N 0.00 0.00 0.00 0.00 3.41 -1.23 -4.80 113.62 111.00 2wh2 n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wh2 n SER 17 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2wh2 n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh2 n GLY 18 N 0.00 1.55 0.31 5.00 0.00 -1.26 -4.57 105.19 106.23 2wh2 n GLY 18 Ca 0.00 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.06 2wh2 n GLY 18 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wh2 h LYS 19 N 0.00 0.15 -0.37 1.61 3.64 -2.05 0.74 116.57 120.29 2wh2 h LYS 19 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wh2 h LYS 19 Cb 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2wh2 h LYS 19 CO 0.00 0.10 0.00 0.66 -2.27 0.00 0.00 179.45 177.94 2wh2 n TYR 20 N -5.28 0.48 -1.41 1.91 4.02 -1.26 -4.98 117.16 110.64 2wh2 n TYR 20 Ca 0.23 -0.24 -0.53 0.00 -0.01 0.00 0.00 57.90 57.35 2wh2 n TYR 20 Cb 0.74 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 40.00 2wh2 n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 2wh2 n LYS 21 N 0.90 0.00 0.00 -0.72 3.00 0.26 -2.18 118.16 119.42 2wh2 n LYS 21 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 2wh2 n LYS 21 Cb 0.44 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 34.19 2wh2 n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wh2 n GLY 22 N 1.60 3.05 3.78 3.14 0.00 -0.67 -4.93 105.19 111.16 2wh2 n GLY 22 Ca 0.19 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 2wh2 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh2 s ARG 23 N 0.00 4.08 0.03 1.61 0.52 -0.93 -4.56 118.95 119.71 2wh2 s ARG 23 Ca 0.00 2.57 -0.01 0.00 -0.52 0.00 0.00 55.73 57.77 2wh2 s ARG 23 Cb 0.00 -2.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 2wh2 s ARG 23 CO 0.00 -0.56 0.20 0.08 0.02 0.00 0.00 175.30 175.04 2wh2 s VAL 24 N -1.12 5.41 0.21 3.52 1.01 -1.26 -1.23 120.40 126.93 2wh2 s VAL 24 Ca 0.53 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 2wh2 s VAL 24 Cb -0.46 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2wh2 s VAL 24 CO 0.63 0.23 0.35 -0.83 0.00 0.00 0.00 175.10 175.48 2wh2 s GLY 25 N -2.23 0.62 0.00 4.51 0.00 0.26 -4.88 107.32 105.60 2wh2 s GLY 25 Ca 0.31 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 44.06 2wh2 s GLY 25 CO 0.23 -0.81 0.00 1.17 0.00 0.00 0.00 173.10 173.70 2wh2 n LYS 26 N -0.30 3.01 -1.71 2.90 4.81 -1.26 -1.28 118.16 124.32 2wh2 n LYS 26 Ca -0.04 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.98 2wh2 n LYS 26 Cb 0.63 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.68 2wh2 n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wh2 n VAL 27 N 0.00 2.10 -1.03 3.15 0.31 -1.15 -4.12 118.33 117.59 2wh2 n VAL 27 Ca 0.00 -0.50 0.08 0.00 -0.01 0.00 0.00 64.34 63.91 2wh2 n VAL 27 Cb 0.00 -1.64 0.24 0.00 -0.91 0.00 0.00 33.84 31.52 2wh2 n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wh2 n LYS 28 N 0.44 2.60 -1.26 5.55 0.00 -1.26 -3.15 118.16 121.08 2wh2 n LYS 28 Ca 0.04 -2.82 -0.02 0.00 -0.00 0.00 0.00 58.31 55.51 2wh2 n LYS 28 Cb 0.37 -1.79 0.00 0.00 -0.00 0.00 0.00 35.03 33.61 2wh2 n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wh2 n GLU 29 N -0.69 -0.09 -0.73 -1.58 4.71 -1.26 0.52 120.64 121.51 2wh2 n GLU 29 Ca 0.21 0.06 -0.32 0.00 -0.01 0.00 0.00 57.16 57.10 2wh2 n GLU 29 Cb 0.86 -0.09 0.15 0.00 -1.01 0.00 0.00 31.44 31.34 2wh2 n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2wh2 n VAL 30 N -0.07 0.00 0.00 2.62 0.31 -1.26 -4.52 118.33 115.41 2wh2 n VAL 30 Ca -0.01 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2wh2 n VAL 30 Cb 0.03 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 2wh2 n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wh2 n LEU 31 N -1.65 0.00 -0.41 7.52 7.99 -1.19 -4.98 117.00 124.28 2wh2 n LEU 31 Ca 0.04 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.12 2wh2 n LEU 31 Cb 0.57 -0.25 0.17 0.00 -0.11 0.00 0.00 43.42 43.79 2wh2 n LEU 31 CO 0.51 -0.27 0.43 -0.81 -1.51 0.00 0.00 177.39 175.74 2wh2 n PRO 32 N -2.03 1.36 -0.15 3.23 -0.04 -1.26 -4.96 135.00 131.15 2wh2 n PRO 32 Ca 0.00 -2.90 -0.03 0.00 -0.04 0.00 0.00 63.50 60.54 2wh2 n PRO 32 Cb 0.00 -1.48 0.05 0.00 -0.04 0.00 0.00 33.50 32.03 2wh2 n PRO 32 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wh2 h LYS 33 N 0.56 0.09 -0.00 0.54 1.57 -1.95 0.89 116.57 118.26 2wh2 h LYS 33 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wh2 h LYS 33 Cb 1.04 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2wh2 h LYS 33 CO 0.00 0.06 -0.04 1.63 -0.57 0.00 0.00 179.45 180.53 2wh2 n LYS 34 N -5.25 0.36 -3.32 3.15 5.02 -1.26 -4.95 118.16 111.92 2wh2 n LYS 34 Ca 0.05 -0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.13 2wh2 n LYS 34 Cb 0.26 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.84 2wh2 n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2wh2 n TYR 35 N -1.28 -2.38 -4.19 2.13 9.36 0.31 -4.95 117.16 116.16 2wh2 n TYR 35 Ca 0.12 0.83 -0.11 0.00 3.32 0.00 0.00 57.90 62.07 2wh2 n TYR 35 Cb 0.27 -4.19 -0.04 0.00 -0.63 0.00 0.00 39.34 34.76 2wh2 n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wh2 n ALA 36 N -3.44 0.33 -3.00 2.98 0.00 -1.26 -2.18 120.51 113.95 2wh2 n ALA 36 Ca -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.33 2wh2 n ALA 36 Cb 0.62 0.76 0.00 0.00 0.00 0.00 0.00 19.45 20.84 2wh2 n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wh2 n VAL 37 N -0.38 0.00 0.03 0.00 0.24 -0.57 -3.19 118.33 114.45 2wh2 n VAL 37 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2wh2 n VAL 37 Cb 0.31 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 2wh2 n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2wh2 n ILE 38 N 0.00 0.00 -0.29 1.34 2.08 0.18 -4.40 119.36 118.27 2wh2 n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2wh2 n ILE 38 Cb 0.00 -0.09 0.00 0.00 -0.75 0.00 0.00 39.64 38.80 2wh2 n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2wh2 n VAL 39 N -2.61 0.00 -0.99 1.39 0.31 -1.19 -3.96 118.33 111.28 2wh2 n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wh2 n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wh2 n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wh2 n GLU 40 N 14.00 0.01 -0.39 5.55 -0.58 -1.26 -4.71 120.64 133.26 2wh2 n GLU 40 Ca 0.00 -0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 2wh2 n GLU 40 Cb 0.00 -0.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 2wh2 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wh2 n GLY 41 N -0.00 0.43 2.19 0.62 0.00 -1.25 -4.84 105.19 102.34 2wh2 n GLY 41 Ca 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.12 2wh2 n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh2 n VAL 42 N -1.18 -1.32 -5.04 1.61 0.31 -1.26 -4.31 118.33 107.13 2wh2 n VAL 42 Ca 0.00 0.29 -0.32 0.00 -0.01 0.00 0.00 64.34 64.30 2wh2 n VAL 42 Cb 0.00 -1.88 -0.16 0.00 -0.91 0.00 0.00 33.84 30.89 2wh2 n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2wh2 s ASN 43 N -0.64 3.49 0.02 4.52 -0.87 -1.26 0.34 114.94 120.54 2wh2 s ASN 43 Ca 0.02 -0.45 0.02 0.00 -1.57 0.00 0.00 52.86 50.88 2wh2 s ASN 43 Cb -0.00 -1.43 -0.02 0.00 -0.02 0.00 0.00 41.25 39.78 2wh2 s ASN 43 CO 0.04 0.17 -0.07 -0.63 -2.57 0.00 0.00 177.10 174.04 2wh2 s ILE 44 N 0.27 0.54 0.11 0.60 1.01 -1.17 -4.99 121.20 117.57 2wh2 s ILE 44 Ca -0.14 -0.72 -0.25 0.00 0.00 0.00 0.00 60.65 59.54 2wh2 s ILE 44 Cb -0.17 -0.54 -0.07 0.00 0.01 0.00 0.00 42.46 41.70 2wh2 s ILE 44 CO 0.07 -0.14 0.77 -0.69 0.00 0.00 0.00 174.94 174.95 2wh2 s VAL 45 N -0.81 4.54 0.00 2.92 1.01 -1.26 -4.34 120.40 122.45 2wh2 s VAL 45 Ca -0.04 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.60 2wh2 s VAL 45 Cb -0.07 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.19 2wh2 s VAL 45 CO 0.00 0.45 0.00 0.29 0.00 0.00 0.00 175.10 175.85 2wh2 n LYS 46 N 2.13 0.00 0.15 2.72 5.02 -1.26 -5.07 118.16 121.85 2wh2 n LYS 46 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2wh2 n LYS 46 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 2wh2 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wh2 n LYS 47 N 0.00 0.00 -1.79 1.97 4.01 -1.26 -5.13 118.16 115.96 2wh2 n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2wh2 n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2wh2 n LYS 47 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wh2 n ALA 48 N -3.34 -2.02 0.00 7.82 0.00 -1.26 -4.91 120.51 116.80 2wh2 n ALA 48 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2wh2 n ALA 48 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 17.99 2wh2 n ALA 48 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wh2 n VAL 49 N -0.02 0.00 0.00 0.00 0.24 -1.26 -4.84 118.33 112.45 2wh2 n VAL 49 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wh2 n VAL 49 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wh2 n VAL 49 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2wh2 n ARG 50 N 0.00 0.00 -0.21 7.34 1.74 -1.26 -1.30 116.66 122.98 2wh2 n ARG 50 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 2wh2 n ARG 50 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.55 2wh2 n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2wh2 n VAL 51 N 0.00 0.62 0.00 1.55 0.31 -1.26 -4.71 118.33 114.84 2wh2 n VAL 51 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2wh2 n VAL 51 Cb 0.00 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 2wh2 n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2wh2 n SER 52 N 0.17 0.00 -3.92 4.52 3.41 -0.42 -4.96 113.62 112.43 2wh2 n SER 52 Ca 0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.55 2wh2 n SER 52 Cb 0.40 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 2wh2 n SER 52 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2wh2 n PRO 53 N 0.00 0.01 -1.73 4.33 -0.02 -0.98 -4.76 135.00 131.84 2wh2 n PRO 53 Ca 0.00 -0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 60.62 2wh2 n PRO 53 Cb 0.00 -1.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 2wh2 n PRO 53 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wh2 n LYS 54 N 5.34 2.55 -0.39 -0.52 4.81 -1.26 -3.93 118.16 124.76 2wh2 n LYS 54 Ca 0.17 0.91 0.05 0.00 -0.87 0.00 0.00 58.31 58.57 2wh2 n LYS 54 Cb 0.36 -2.65 -0.01 0.00 0.02 0.00 0.00 35.03 32.75 2wh2 n LYS 54 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2wh2 n TYR 55 N 1.75 -2.26 -0.31 5.64 4.02 -1.26 -3.56 117.16 121.18 2wh2 n TYR 55 Ca 0.08 0.48 0.20 0.00 -0.01 0.00 0.00 57.90 58.65 2wh2 n TYR 55 Cb 0.36 -0.87 0.37 0.00 -0.02 0.00 0.00 39.34 39.19 2wh2 n TYR 55 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2wh2 n PRO 56 N -1.80 -0.07 0.00 -0.72 -0.02 -1.26 -4.80 135.00 126.33 2wh2 n PRO 56 Ca 0.00 1.32 0.00 0.00 -2.02 0.00 0.00 63.50 62.81 2wh2 n PRO 56 Cb 0.18 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2wh2 n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wh2 n GLN 57 N -5.23 0.00 -0.00 -0.52 6.02 -1.23 -4.96 117.38 111.46 2wh2 n GLN 57 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 2wh2 n GLN 57 Cb 0.89 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 32.15 2wh2 n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wh2 n GLY 58 N 0.00 0.63 0.00 1.08 0.00 -1.26 -4.21 105.19 101.43 2wh2 n GLY 58 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wh2 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh2 n GLY 59 N 1.51 3.51 0.00 -0.02 0.00 -1.26 -4.92 105.19 104.01 2wh2 n GLY 59 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2wh2 n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wh2 n PHE 60 N 0.45 0.00 -0.22 1.61 3.01 -1.26 -4.46 117.46 116.59 2wh2 n PHE 60 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 2wh2 n PHE 60 Cb 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.54 2wh2 n PHE 60 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2wh2 h ILE 61 N 0.00 1.05 -4.08 4.37 1.08 -1.97 -3.42 117.51 114.54 2wh2 h ILE 61 Ca 0.00 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 2wh2 h ILE 61 Cb 0.00 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 2wh2 h ILE 61 CO 0.00 0.13 -0.76 -0.62 -0.69 0.00 0.00 178.15 176.21 2wh2 n GLU 62 N -4.74 -4.06 -0.33 2.37 4.71 -1.26 -4.63 120.64 112.70 2wh2 n GLU 62 Ca 0.06 3.05 -0.04 0.00 -0.01 0.00 0.00 57.16 60.23 2wh2 n GLU 62 Cb 0.10 -3.76 0.04 0.00 -1.01 0.00 0.00 31.44 26.81 2wh2 n GLU 62 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wh2 n LYS 63 N 1.42 0.61 -1.89 3.49 5.02 -1.26 -4.08 118.16 121.47 2wh2 n LYS 63 Ca 0.00 -0.20 -0.31 0.00 -2.02 0.00 0.00 58.31 55.79 2wh2 n LYS 63 Cb 0.00 -0.66 0.02 0.00 -0.02 0.00 0.00 35.03 34.37 2wh2 n LYS 63 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2wh2 s GLU 64 N -1.83 3.35 -0.04 1.97 8.01 -1.26 -3.03 118.70 125.87 2wh2 s GLU 64 Ca 0.09 0.64 0.07 0.00 0.01 0.00 0.00 54.97 55.78 2wh2 s GLU 64 Cb -0.02 -2.07 -0.01 0.00 -4.31 0.00 0.00 34.13 27.72 2wh2 s GLU 64 CO 0.08 -0.72 -0.24 0.00 0.01 0.00 0.00 175.26 174.38 2wh2 s ALA 65 N -3.23 2.07 0.00 5.21 0.00 0.15 -4.90 121.76 121.05 2wh2 s ALA 65 Ca 0.56 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2wh2 s ALA 65 Cb -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.43 2wh2 s ALA 65 CO 0.53 0.45 0.00 -2.30 0.00 0.00 0.00 175.76 174.44 2wh2 n PRO 66 N 2.71 0.00 -1.21 0.00 -0.02 -1.26 -4.77 135.00 130.44 2wh2 n PRO 66 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2wh2 n PRO 66 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2wh2 n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wh2 n LEU 67 N -0.22 -3.70 -4.68 2.45 7.94 -1.26 -1.78 117.00 115.74 2wh2 n LEU 67 Ca 0.00 1.31 -0.46 0.00 -1.11 0.00 0.00 56.01 55.75 2wh2 n LEU 67 Cb 0.00 -1.88 -0.04 0.00 0.53 0.00 0.00 43.42 42.02 2wh2 n LEU 67 CO 0.00 -0.80 1.33 1.57 -1.11 0.00 0.00 177.39 178.38 2wh2 n HIS 68 N 0.77 2.36 0.00 1.96 -0.00 -1.26 -1.52 115.22 117.53 2wh2 n HIS 68 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 2wh2 n HIS 68 Cb 0.00 -2.61 0.00 0.00 -0.00 0.00 0.00 29.99 27.38 2wh2 n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wh2 n ALA 69 N 4.69 1.23 -0.06 1.57 0.00 -0.92 -0.80 120.51 126.22 2wh2 n ALA 69 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.60 2wh2 n ALA 69 Cb 0.30 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.81 2wh2 n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wh2 n SER 70 N -0.53 1.22 -0.16 0.00 2.88 -1.26 -4.47 113.62 111.30 2wh2 n SER 70 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 2wh2 n SER 70 Cb 0.00 1.13 0.12 0.00 -0.75 0.00 0.00 64.21 64.71 2wh2 n SER 70 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2wh2 h LYS 71 N 0.00 0.92 -7.04 -1.46 1.79 -1.33 -3.44 116.57 106.00 2wh2 h LYS 71 Ca -0.30 -0.25 -0.49 0.00 -2.18 0.00 0.00 60.65 57.44 2wh2 h LYS 71 Cb 1.60 -0.11 0.02 0.00 -1.58 0.00 0.00 32.23 32.17 2wh2 h LYS 71 CO 0.02 0.88 0.23 0.14 -1.08 0.00 0.00 179.45 179.64 2wh2 s VAL 72 N -5.07 4.73 -0.03 0.50 -7.23 -1.25 -0.98 120.40 111.08 2wh2 s VAL 72 Ca -0.10 0.74 -0.06 0.00 -1.81 0.00 0.00 61.98 60.74 2wh2 s VAL 72 Cb 0.15 -3.78 0.01 0.00 0.56 0.00 0.00 36.38 33.31 2wh2 s VAL 72 CO 0.83 -0.74 0.14 -0.13 -0.31 0.00 0.00 175.10 174.89 2wh2 s ARG 73 N -4.31 0.32 0.45 4.82 0.52 0.23 -4.90 118.95 116.08 2wh2 s ARG 73 Ca 0.53 -0.08 -0.07 0.00 -0.52 0.00 0.00 55.73 55.59 2wh2 s ARG 73 Cb -0.10 0.14 0.11 0.00 0.52 0.00 0.00 34.95 35.61 2wh2 s ARG 73 CO 0.38 -0.06 0.24 -0.35 0.02 0.00 0.00 175.30 175.53 2wh2 n PRO 74 N 2.27 -1.86 0.00 3.54 -0.04 -1.26 0.20 135.00 137.86 2wh2 n PRO 74 Ca -0.17 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 2wh2 n PRO 74 Cb 0.57 -0.61 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 2wh2 n PRO 74 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2wh2 n ILE 75 N -3.64 0.00 -3.63 0.52 3.06 -1.24 -4.19 119.36 110.24 2wh2 n ILE 75 Ca 0.04 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.24 2wh2 n ILE 75 Cb 0.17 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.29 2wh2 n ILE 75 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wh2 n PRO 77 N 1.27 -0.82 0.00 0.00 -0.02 -1.26 -4.52 135.00 129.65 2wh2 n PRO 77 Ca -0.08 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2wh2 n PRO 77 Cb 0.57 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2wh2 n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh2 n ALA 78 N -3.65 0.00 -2.51 3.55 0.00 -1.26 -4.87 120.51 111.77 2wh2 n ALA 78 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wh2 n ALA 78 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2wh2 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh2 n GLY 80 N 5.00 -3.08 1.81 0.00 0.00 -1.26 -3.73 105.19 103.92 2wh2 n GLY 80 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2wh2 n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh2 n LYS 81 N -0.67 -1.61 0.00 1.61 5.02 -1.26 -4.01 118.16 117.23 2wh2 n LYS 81 Ca 0.00 1.14 0.00 0.00 -2.02 0.00 0.00 58.31 57.43 2wh2 n LYS 81 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 2wh2 n LYS 81 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2wh2 n PRO 82 N 1.74 0.78 -4.18 1.97 -0.02 -1.26 -4.69 135.00 129.33 2wh2 n PRO 82 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 2wh2 n PRO 82 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 2wh2 n PRO 82 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2wh2 s THR 83 N -0.31 0.64 0.28 3.45 -1.32 -1.26 -4.10 115.64 113.01 2wh2 s THR 83 Ca 0.00 -1.94 0.02 0.00 -1.21 0.00 0.00 61.69 58.56 2wh2 s THR 83 Cb 0.00 -1.77 -0.04 0.00 -1.51 0.00 0.00 72.50 69.18 2wh2 s THR 83 CO 0.00 -0.79 0.13 -0.13 -2.21 0.00 0.00 174.62 171.62 2wh2 s ARG 84 N -3.86 1.49 -0.08 7.08 0.52 -0.46 -5.02 118.95 118.62 2wh2 s ARG 84 Ca 0.14 -1.83 0.05 0.00 -0.52 0.00 0.00 55.73 53.58 2wh2 s ARG 84 Cb 0.06 -0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.37 2wh2 s ARG 84 CO -0.03 -0.38 -0.25 0.08 0.02 0.00 0.00 175.30 174.74 2wh2 s VAL 85 N -3.71 2.05 0.25 3.52 1.01 -1.26 -2.43 120.40 119.83 2wh2 s VAL 85 Ca 0.37 -1.04 0.10 0.00 0.00 0.00 0.00 61.98 61.41 2wh2 s VAL 85 Cb 0.06 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2wh2 s VAL 85 CO 0.15 0.56 -0.10 -0.60 0.00 0.00 0.00 175.10 175.12 2wh2 s ARG 86 N 0.05 2.01 0.01 2.72 3.52 -0.46 -4.88 118.95 121.93 2wh2 s ARG 86 Ca -0.10 -1.52 -0.13 0.00 -0.13 0.00 0.00 55.73 53.85 2wh2 s ARG 86 Cb -0.16 -2.01 -0.07 0.00 -1.56 0.00 0.00 34.95 31.15 2wh2 s ARG 86 CO 0.06 0.37 1.00 1.57 -0.81 0.00 0.00 175.30 177.48 2wh2 h LYS 87 N 2.24 -0.47 0.00 5.12 2.10 -1.85 -2.81 116.57 120.91 2wh2 h LYS 87 Ca -0.43 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2wh2 h LYS 87 Cb 1.24 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 2wh2 h LYS 87 CO 0.59 -0.31 0.00 1.63 -2.00 0.00 0.00 179.45 179.35 2wh2 n LYS 88 N -3.55 0.00 -3.07 0.07 4.01 -1.26 -1.68 118.16 112.67 2wh2 n LYS 88 Ca -0.06 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.61 2wh2 n LYS 88 Cb 0.19 -1.41 0.07 0.00 -0.51 0.00 0.00 35.03 33.37 2wh2 n LYS 88 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2wh2 n PHE 89 N -2.00 -1.92 0.00 2.13 7.35 -1.26 -4.36 117.46 117.40 2wh2 n PHE 89 Ca 0.00 0.75 0.00 0.00 -0.76 0.00 0.00 57.45 57.44 2wh2 n PHE 89 Cb 0.00 -4.23 0.00 0.00 0.35 0.00 0.00 39.48 35.60 2wh2 n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2wh2 n LEU 90 N -3.29 0.00 0.00 -2.13 -0.00 -1.26 -5.11 117.00 105.21 2wh2 n LEU 90 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 2wh2 n LEU 90 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 2wh2 n LEU 90 CO 0.50 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 177.27 2wh2 n GLU 91 N 0.00 3.05 0.00 1.47 -0.58 -1.19 -5.15 120.64 118.25 2wh2 n GLU 91 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wh2 n GLU 91 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wh2 n GLU 91 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2wh2 n ASN 92 N 0.00 0.00 -4.80 1.62 2.85 -0.67 -4.60 115.26 109.65 2wh2 n ASN 92 Ca 0.00 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.21 2wh2 n ASN 92 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 2wh2 n ASN 92 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2wh2 s GLY 93 N 0.00 2.43 -0.36 8.20 0.00 -1.06 -4.95 107.32 111.59 2wh2 s GLY 93 Ca 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 44.72 43.10 2wh2 s GLY 93 CO 0.00 -1.95 0.13 -1.59 0.00 0.00 0.00 173.10 169.70 2wh2 s LYS 94 N -4.04 2.36 0.55 2.90 -2.85 -1.26 -1.35 119.74 116.05 2wh2 s LYS 94 Ca 0.34 -1.46 -0.15 0.00 -1.00 0.00 0.00 55.97 53.70 2wh2 s LYS 94 Cb 0.01 -3.47 -0.07 0.00 -2.06 0.00 0.00 37.83 32.24 2wh2 s LYS 94 CO 0.20 -0.83 1.00 0.15 0.10 0.00 0.00 175.35 175.96 2wh2 s LYS 95 N 1.28 3.83 0.00 1.78 1.02 -1.02 -2.44 119.74 124.18 2wh2 s LYS 95 Ca 0.01 0.90 0.00 0.00 0.02 0.00 0.00 55.97 56.90 2wh2 s LYS 95 Cb -0.21 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 2wh2 s LYS 95 CO -0.01 -0.37 0.00 -0.89 -0.92 0.00 0.00 175.35 173.16 2wh2 n ILE 96 N -1.95 0.00 -3.88 2.17 5.41 -1.25 -1.35 119.36 118.51 2wh2 n ILE 96 Ca 0.06 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.50 2wh2 n ILE 96 Cb 0.54 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.35 2wh2 n ILE 96 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2wh2 s ARG 97 N 1.65 2.23 -0.52 0.38 6.06 -1.26 -4.27 118.95 123.23 2wh2 s ARG 97 Ca 0.00 -2.74 -0.02 0.00 -2.50 0.00 0.00 55.73 50.47 2wh2 s ARG 97 Cb 0.00 -3.45 -0.02 0.00 0.06 0.00 0.00 34.95 31.54 2wh2 s ARG 97 CO 0.00 -1.15 0.44 0.28 -2.50 0.00 0.00 175.30 172.37 2wh2 n VAL 98 N 2.98 -4.06 -1.80 7.11 0.31 -1.26 -5.02 118.33 116.59 2wh2 n VAL 98 Ca 0.08 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2wh2 n VAL 98 Cb 0.34 -4.28 0.00 0.00 -0.91 0.00 0.00 33.84 28.99 2wh2 n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh2 s ALA 100 N -1.00 -1.84 0.12 0.00 0.00 -1.26 -3.94 121.76 113.85 2wh2 s ALA 100 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2wh2 s ALA 100 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2wh2 s ALA 100 CO 0.00 -0.40 0.00 1.17 0.00 0.00 0.00 175.76 176.53 2wh2 n LYS 101 N 0.64 -1.08 0.00 0.00 4.81 -1.02 -4.70 118.16 116.81 2wh2 n LYS 101 Ca -0.14 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 2wh2 n LYS 101 Cb 0.58 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.32 2wh2 n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57