#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3klw s THR 3 N 0.00 -0.26 -0.15 -0.44 -1.32 -1.26 -4.24 115.64 107.97 3klw s THR 3 Ca 0.00 0.35 -0.05 0.00 -1.21 0.00 0.00 61.69 60.78 3klw s THR 3 Cb 0.00 -0.30 -0.03 0.00 -1.51 0.00 0.00 72.50 70.66 3klw s THR 3 CO 0.00 0.14 0.02 -0.22 -2.21 0.00 0.00 174.62 172.35 3klw s LEU 4 N 2.24 3.60 -0.12 9.08 2.96 0.89 -4.95 118.68 132.38 3klw s LEU 4 Ca 0.02 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 3klw s LEU 4 Cb -0.12 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3klw s LEU 4 CO -0.06 0.22 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.43 3klw s GLU 5 N 0.08 3.28 -0.04 1.98 2.02 -1.26 -1.69 118.70 123.07 3klw s GLU 5 Ca 0.03 -0.72 -0.10 0.00 0.02 0.00 0.00 54.97 54.20 3klw s GLU 5 Cb -0.13 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.56 3klw s GLU 5 CO 0.02 0.23 0.23 -1.17 0.02 0.00 0.00 175.26 174.59 3klw s LEU 6 N 0.28 1.17 -0.15 1.80 2.96 0.00 -5.00 118.68 119.75 3klw s LEU 6 Ca -0.11 0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 3klw s LEU 6 Cb -0.16 0.90 -0.03 0.00 0.50 0.00 0.00 46.19 47.40 3klw s LEU 6 CO 0.06 -0.28 0.01 -0.94 -1.32 0.00 0.00 176.35 173.88 3klw s SER 7 N -0.78 5.21 0.32 3.68 1.04 -1.26 -0.74 113.70 121.18 3klw s SER 7 Ca -0.09 0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.23 3klw s SER 7 Cb -0.05 -1.78 0.02 0.00 0.10 0.00 0.00 66.02 64.31 3klw s SER 7 CO 0.02 0.22 0.62 0.00 0.98 0.00 0.00 173.24 175.08 3klw s ALA 8 N 0.06 -0.32 0.00 5.32 0.00 -1.26 -4.52 121.76 121.03 3klw s ALA 8 Ca 0.03 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.13 3klw s ALA 8 Cb -0.13 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 3klw s ALA 8 CO 0.02 -0.91 -0.10 0.50 0.00 0.00 0.00 175.76 175.26 3klw s ARG 9 N -3.20 2.46 -0.38 0.00 3.52 -0.15 -4.37 118.95 116.83 3klw s ARG 9 Ca 0.20 -0.76 -0.29 0.00 -0.13 0.00 0.00 55.73 54.75 3klw s ARG 9 Cb -0.03 -2.43 0.02 0.00 -1.56 0.00 0.00 34.95 30.95 3klw s ARG 9 CO 0.12 0.60 1.21 0.08 -0.81 0.00 0.00 175.30 176.49 3klw s VAL 10 N -0.94 4.22 -0.12 7.11 1.01 0.13 -1.27 120.40 130.54 3klw s VAL 10 Ca 0.16 1.32 0.17 0.00 0.00 0.00 0.00 61.98 63.63 3klw s VAL 10 Cb -0.11 -4.38 -0.18 0.00 0.00 0.00 0.00 36.38 31.71 3klw s VAL 10 CO 0.06 -0.71 0.67 -0.11 0.00 0.00 0.00 175.10 175.01 3klw n LEU 11 N 7.70 0.67 -3.64 3.92 7.94 0.98 0.45 117.00 135.02 3klw n LEU 11 Ca 0.13 0.30 -0.15 0.00 -1.11 0.00 0.00 56.01 55.19 3klw n LEU 11 Cb 0.48 0.14 -0.07 0.00 0.53 0.00 0.00 43.42 44.49 3klw n LEU 11 CO 0.66 0.21 0.34 -0.70 -1.11 0.00 0.00 177.39 176.79 3klw s GLU 12 N -2.88 0.80 -0.20 1.96 2.12 -1.00 -4.88 118.70 114.62 3klw s GLU 12 Ca -0.04 0.73 -0.03 0.00 0.36 0.00 0.00 54.97 55.99 3klw s GLU 12 Cb 0.09 0.39 0.06 0.00 0.26 0.00 0.00 34.13 34.93 3klw s GLU 12 CO 0.82 -0.14 0.04 0.00 -0.54 0.00 0.00 175.26 175.45 3klw s GLY 14 N 1.87 1.48 0.00 0.00 0.00 0.13 -4.89 107.32 105.92 3klw s GLY 14 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.15 3klw s GLY 14 CO -0.09 0.30 0.00 0.00 0.00 0.00 0.00 173.10 173.31 3klw n ALA 15 N -5.22 0.00 -3.97 3.20 0.00 -1.26 -4.63 120.51 108.63 3klw n ALA 15 Ca 0.08 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.69 3klw n ALA 15 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 3klw n ALA 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3klw n ARG 17 N 0.00 0.20 -3.93 0.00 1.74 0.07 -4.70 116.66 110.04 3klw n ARG 17 Ca 0.00 -0.78 -0.10 0.00 -0.77 0.00 0.00 57.85 56.20 3klw n ARG 17 Cb 0.00 1.27 -0.12 0.00 -1.02 0.00 0.00 32.46 32.59 3klw n ARG 17 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3klw s HIS 18 N -2.06 0.13 0.90 -1.55 3.76 -1.26 -0.95 115.29 114.26 3klw s HIS 18 Ca 0.29 -0.27 -0.13 0.00 -0.15 0.00 0.00 55.06 54.80 3klw s HIS 18 Cb -0.01 -0.10 0.14 0.00 1.11 0.00 0.00 32.58 33.72 3klw s HIS 18 CO -0.00 -0.13 1.20 0.95 -0.85 0.00 0.00 174.74 175.90 3klw s THR 19 N -0.90 1.98 0.49 1.30 -4.23 0.00 -4.87 115.64 109.41 3klw s THR 19 Ca -0.10 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.58 3klw s THR 19 Cb -0.06 -2.90 0.31 0.00 1.34 0.00 0.00 72.50 71.19 3klw s THR 19 CO -0.00 0.00 2.07 -0.65 -0.54 0.00 0.00 174.62 175.50 3klw h PRO 20 N -1.41 0.14 -0.09 3.99 0.11 -2.02 0.12 132.00 132.83 3klw h PRO 20 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3klw h PRO 20 Cb 1.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3klw h PRO 20 CO 0.56 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 3klw n ALA 21 N -2.55 2.49 -0.99 -0.75 0.00 -1.26 -4.88 120.51 112.57 3klw n ALA 21 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3klw n ALA 21 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3klw n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3klw n GLY 22 N 0.59 0.58 3.71 0.00 0.00 0.41 -5.03 105.19 105.45 3klw n GLY 22 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3klw n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3klw s LEU 23 N 0.00 4.37 0.40 0.99 2.96 -1.25 -4.70 118.68 121.45 3klw s LEU 23 Ca 0.00 2.20 -0.26 0.00 -0.22 0.00 0.00 54.13 55.85 3klw s LEU 23 Cb 0.00 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.02 3klw s LEU 23 CO 0.00 -0.59 1.31 -2.16 -1.32 0.00 0.00 176.35 173.59 3klw s PRO 24 N 1.16 3.97 -0.04 0.98 0.04 -1.26 -0.82 135.00 139.04 3klw s PRO 24 Ca 0.62 2.17 -0.03 0.00 0.04 0.00 0.00 61.00 63.81 3klw s PRO 24 Cb -0.34 -2.76 0.02 0.00 0.04 0.00 0.00 34.50 31.46 3klw s PRO 24 CO 0.30 -0.50 0.09 0.00 0.04 0.00 0.00 177.00 176.93 3klw s ALA 25 N -1.25 -0.18 -0.04 8.56 0.00 -0.13 -0.16 121.76 128.56 3klw s ALA 25 Ca 0.57 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 3klw s ALA 25 Cb -0.38 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.52 3klw s ALA 25 CO 0.49 -0.08 0.10 -1.17 0.00 0.00 0.00 175.76 175.10 3klw s LEU 26 N 0.46 1.58 -0.09 0.00 2.96 -0.59 -0.75 118.68 122.26 3klw s LEU 26 Ca -0.03 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 3klw s LEU 26 Cb -0.05 0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.93 3klw s LEU 26 CO -0.02 -0.04 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.17 3klw s GLU 27 N 0.12 2.93 0.22 1.98 2.56 -1.26 -1.28 118.70 123.98 3klw s GLU 27 Ca -0.01 -0.61 0.06 0.00 0.00 0.00 0.00 54.97 54.41 3klw s GLU 27 Cb -0.01 -2.58 -0.05 0.00 2.00 0.00 0.00 34.13 33.48 3klw s GLU 27 CO -0.00 0.51 -0.09 -0.51 -0.56 0.00 0.00 175.26 174.60 3klw s LEU 28 N -0.40 2.48 -0.20 2.70 1.02 0.20 -0.69 118.68 123.79 3klw s LEU 28 Ca 0.05 -1.10 0.00 0.00 0.02 0.00 0.00 54.13 53.11 3klw s LEU 28 Cb -0.12 -0.56 0.02 0.00 0.02 0.00 0.00 46.19 45.55 3klw s LEU 28 CO 0.02 -0.29 -0.15 -0.22 0.02 0.00 0.00 176.35 175.73 3klw s LEU 29 N -3.33 2.53 -0.06 1.79 2.96 0.47 -0.74 118.68 122.29 3klw s LEU 29 Ca 0.24 -0.71 -0.00 0.00 -0.22 0.00 0.00 54.13 53.44 3klw s LEU 29 Cb 0.02 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3klw s LEU 29 CO 0.08 -0.04 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.28 3klw s LEU 30 N 1.31 3.43 -0.16 -0.68 1.43 -0.09 -0.02 118.68 123.90 3klw s LEU 30 Ca 0.03 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 3klw s LEU 30 Cb -0.14 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3klw s LEU 30 CO -0.09 0.35 -0.16 0.54 0.23 0.00 0.00 176.35 177.22 3klw s VAL 31 N -0.90 1.74 -0.07 -1.59 0.11 -0.39 -0.29 120.40 119.01 3klw s VAL 31 Ca 0.14 -0.74 -0.03 0.00 -2.93 0.00 0.00 61.98 58.42 3klw s VAL 31 Cb -0.11 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.10 3klw s VAL 31 CO 0.04 0.49 0.06 -2.28 -3.33 0.00 0.00 175.10 170.07 3klw s HIS 32 N 1.39 3.31 -0.05 1.54 2.46 0.99 -0.97 115.29 123.95 3klw s HIS 32 Ca 0.04 0.29 -0.02 0.00 0.47 0.00 0.00 55.06 55.84 3klw s HIS 32 Cb -0.13 -1.81 0.03 0.00 -0.13 0.00 0.00 32.58 30.54 3klw s HIS 32 CO -0.11 0.56 0.11 -2.00 -2.47 0.00 0.00 174.74 170.83 3klw s GLU 33 N -1.15 0.06 0.08 2.88 2.12 -1.26 -1.04 118.70 120.38 3klw s GLU 33 Ca 0.16 0.29 -0.27 0.00 0.36 0.00 0.00 54.97 55.51 3klw s GLU 33 Cb -0.12 -0.17 0.09 0.00 0.26 0.00 0.00 34.13 34.20 3klw s GLU 33 CO 0.06 -0.15 1.12 -1.54 -0.54 0.00 0.00 175.26 174.21 3klw s SER 34 N 0.99 -0.10 -0.10 -1.70 1.04 -0.37 -5.01 113.70 108.45 3klw s SER 34 Ca -0.08 -0.31 -0.00 0.00 0.48 0.00 0.00 55.95 56.04 3klw s SER 34 Cb -0.10 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 3klw s SER 34 CO -0.04 -0.63 -0.08 -1.61 0.98 0.00 0.00 173.24 171.85 3klw s GLU 35 N -2.76 3.07 0.10 4.02 0.41 -1.26 0.17 118.70 122.45 3klw s GLU 35 Ca 0.15 -0.59 0.03 0.00 -0.41 0.00 0.00 54.97 54.16 3klw s GLU 35 Cb 0.01 -2.65 -0.04 0.00 -1.78 0.00 0.00 34.13 29.67 3klw s GLU 35 CO -0.00 0.47 -0.10 0.14 -0.49 0.00 0.00 175.26 175.28 3klw s VAL 36 N -0.28 0.91 -0.21 2.63 -7.23 0.20 -4.95 120.40 111.47 3klw s VAL 36 Ca 0.03 -1.68 -0.10 0.00 -1.81 0.00 0.00 61.98 58.42 3klw s VAL 36 Cb -0.13 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 3klw s VAL 36 CO 0.03 -0.60 0.14 0.54 -0.31 0.00 0.00 175.10 174.89 3klw s VAL 37 N -2.59 5.38 -0.13 1.32 0.11 -1.26 0.13 120.40 123.36 3klw s VAL 37 Ca 0.06 0.18 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 3klw s VAL 37 Cb -0.02 -3.47 0.02 0.00 -1.53 0.00 0.00 36.38 31.38 3klw s VAL 37 CO -0.00 0.41 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.34 3klw s GLU 38 N 0.58 2.13 -1.34 1.54 2.12 0.95 -4.73 118.70 119.96 3klw s GLU 38 Ca 0.08 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.91 3klw s GLU 38 Cb -0.12 -1.94 0.00 0.00 0.26 0.00 0.00 34.13 32.33 3klw s GLU 38 CO 0.00 -0.19 0.00 0.00 -0.54 0.00 0.00 175.26 174.53 3klw n ALA 39 N 4.62 -0.65 -1.24 6.30 0.00 -1.26 -1.56 120.51 126.72 3klw n ALA 39 Ca -0.17 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3klw n ALA 39 Cb 0.50 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3klw n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3klw n GLY 40 N -0.78 0.80 2.88 0.00 0.00 -1.26 -5.09 105.19 101.74 3klw n GLY 40 Ca -0.17 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 3klw n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3klw s HIS 41 N -2.00 0.02 0.53 1.61 3.76 -0.60 -5.13 115.29 113.48 3klw s HIS 41 Ca 0.00 -0.04 -0.21 0.00 -0.15 0.00 0.00 55.06 54.67 3klw s HIS 41 Cb 0.00 -0.01 -0.06 0.00 1.11 0.00 0.00 32.58 33.62 3klw s HIS 41 CO 0.00 -0.01 1.19 -1.25 -0.85 0.00 0.00 174.74 173.82 3klw s PRO 42 N -0.10 3.37 -0.22 8.40 0.04 -1.26 -0.03 135.00 145.19 3klw s PRO 42 Ca -0.01 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 62.70 3klw s PRO 42 Cb -0.01 -2.16 0.07 0.00 0.04 0.00 0.00 34.50 32.44 3klw s PRO 42 CO -0.00 -0.88 0.55 0.50 0.04 0.00 0.00 177.00 177.21 3klw s ARG 43 N -3.04 0.56 0.10 4.56 3.52 0.12 -4.84 118.95 119.92 3klw s ARG 43 Ca 0.71 0.99 -0.30 0.00 -0.13 0.00 0.00 55.73 57.00 3klw s ARG 43 Cb -0.29 0.07 -0.06 0.00 -1.56 0.00 0.00 34.95 33.12 3klw s ARG 43 CO 0.34 -0.15 0.95 1.03 -0.81 0.00 0.00 175.30 176.66 3klw s ARG 44 N 1.44 4.68 -0.12 5.12 0.52 -1.26 -0.63 118.95 128.69 3klw s ARG 44 Ca -0.09 1.43 0.01 0.00 -0.52 0.00 0.00 55.73 56.56 3klw s ARG 44 Cb -0.07 -3.38 0.02 0.00 0.52 0.00 0.00 34.95 32.04 3klw s ARG 44 CO -0.15 0.19 -0.13 0.08 0.02 0.00 0.00 175.30 175.31 3klw s VAL 45 N 0.09 1.42 -0.19 3.52 1.01 0.13 -4.94 120.40 121.43 3klw s VAL 45 Ca 0.47 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 3klw s VAL 45 Cb -0.23 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 34.87 3klw s VAL 45 CO 0.29 0.43 -0.05 -0.70 0.00 0.00 0.00 175.10 175.07 3klw s GLU 46 N 1.28 1.52 -0.10 2.72 2.12 -1.26 -1.24 118.70 123.74 3klw s GLU 46 Ca -0.01 -0.69 0.04 0.00 0.36 0.00 0.00 54.97 54.66 3klw s GLU 46 Cb -0.14 -2.25 -0.00 0.00 0.26 0.00 0.00 34.13 32.00 3klw s GLU 46 CO -0.06 -0.50 -0.23 -1.17 -0.54 0.00 0.00 175.26 172.77 3klw s LEU 47 N 1.55 2.14 -0.12 2.70 2.96 -0.21 -4.97 118.68 122.73 3klw s LEU 47 Ca -0.02 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3klw s LEU 47 Cb -0.17 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 3klw s LEU 47 CO -0.07 0.16 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.10 3klw s THR 48 N 0.32 3.10 -0.03 3.68 2.01 -1.26 -0.01 115.64 123.45 3klw s THR 48 Ca -0.18 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 3klw s THR 48 Cb -0.18 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.05 3klw s THR 48 CO 0.09 0.53 0.08 -0.51 -0.69 0.00 0.00 174.62 174.12 3klw s ILE 49 N 0.24 0.01 0.14 1.82 1.10 0.61 -4.98 121.20 120.14 3klw s ILE 49 Ca -0.08 -0.05 -0.25 0.00 -0.51 0.00 0.00 60.65 59.75 3klw s ILE 49 Cb -0.15 -0.14 -0.08 0.00 0.15 0.00 0.00 42.46 42.24 3klw s ILE 49 CO 0.05 -0.03 0.76 -0.94 -2.11 0.00 0.00 174.94 172.67 3klw s SER 50 N -0.05 7.35 0.02 4.50 1.04 -1.26 -0.92 113.70 124.37 3klw s SER 50 Ca -0.01 1.59 0.04 0.00 0.48 0.00 0.00 55.95 58.05 3klw s SER 50 Cb -0.01 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 3klw s SER 50 CO 0.00 0.19 -0.12 0.00 0.98 0.00 0.00 173.24 174.29 3klw s ALA 51 N -1.01 0.97 -0.08 5.32 0.00 0.08 -1.14 121.76 125.91 3klw s ALA 51 Ca 0.36 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.73 3klw s ALA 51 Cb -0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 3klw s ALA 51 CO 0.25 0.20 -0.24 0.08 0.00 0.00 0.00 175.76 176.05 3klw s VAL 52 N -0.60 2.16 0.05 0.00 1.01 -0.24 0.59 120.40 123.36 3klw s VAL 52 Ca 0.02 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.06 3klw s VAL 52 Cb -0.06 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 3klw s VAL 52 CO 0.00 0.56 -0.20 0.00 0.00 0.00 0.00 175.10 175.47 3klw s ALA 53 N 0.02 2.53 -0.08 5.51 0.00 -0.40 -0.85 121.76 128.49 3klw s ALA 53 Ca -0.09 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.61 3klw s ALA 53 Cb -0.15 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.34 3klw s ALA 53 CO 0.05 0.57 0.18 -1.17 0.00 0.00 0.00 175.76 175.39 3klw s LEU 54 N -1.45 0.49 0.00 0.00 2.96 -1.26 -1.54 118.68 117.87 3klw s LEU 54 Ca 0.14 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 3klw s LEU 54 Cb -0.10 0.45 0.00 0.00 0.50 0.00 0.00 46.19 47.04 3klw s LEU 54 CO 0.05 -0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 3klw n GLY 55 N 4.42 0.67 0.36 7.98 0.00 0.78 -4.35 105.19 115.05 3klw n GLY 55 Ca -0.22 -1.17 0.02 0.00 0.00 0.00 0.00 46.02 44.65 3klw n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3klw h ASP 56 N 2.89 0.92 0.38 1.61 3.45 -1.98 -1.59 116.42 122.11 3klw h ASP 56 Ca 0.00 -0.01 -0.10 0.00 0.43 0.00 0.00 57.03 57.35 3klw h ASP 56 Cb 0.00 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 3klw h ASP 56 CO 0.00 0.63 -0.44 -0.07 -1.57 0.00 0.00 179.24 177.79 3klw h LEU 57 N 1.07 0.07 -0.37 1.55 3.38 -1.96 -0.69 115.31 118.35 3klw h LEU 57 Ca 0.35 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 3klw h LEU 57 Cb 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3klw h LEU 57 CO -0.11 0.50 0.13 0.00 0.09 0.00 0.00 178.44 179.06 3klw h ALA 58 N 1.50 0.49 -0.68 1.53 0.00 -1.53 0.20 119.26 120.77 3klw h ALA 58 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3klw h ALA 58 Cb 0.80 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3klw h ALA 58 CO 0.06 0.11 0.25 -0.07 0.00 0.00 0.00 179.25 179.60 3klw h LEU 59 N 0.46 0.95 -0.45 0.00 3.38 -1.13 0.21 115.31 118.73 3klw h LEU 59 Ca 0.12 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3klw h LEU 59 Cb 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3klw h LEU 59 CO -0.01 0.88 0.00 0.25 0.09 0.00 0.00 178.44 179.65 3klw h LEU 60 N 0.97 0.77 0.00 1.67 5.85 -0.87 -3.17 115.31 120.53 3klw h LEU 60 Ca 0.22 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3klw h LEU 60 Cb 0.23 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3klw h LEU 60 CO -0.02 0.89 -0.37 0.18 -0.34 0.00 0.00 178.44 178.79 3klw n LEU 61 N -4.39 0.51 -4.57 2.25 4.77 0.68 -4.91 117.00 111.35 3klw n LEU 61 Ca -0.00 0.26 -0.46 0.00 -0.03 0.00 0.00 56.01 55.78 3klw n LEU 61 Cb 0.30 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3klw n LEU 61 CO 0.41 -0.01 0.56 0.00 -1.33 0.00 0.00 177.39 177.03 3klw n ALA 62 N -1.65 -0.65 -3.19 -1.18 0.00 0.73 -1.72 120.51 112.85 3klw n ALA 62 Ca 0.05 0.42 -0.22 0.00 0.00 0.00 0.00 53.44 53.69 3klw n ALA 62 Cb 0.39 -1.98 0.01 0.00 0.00 0.00 0.00 19.45 17.86 3klw n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3klw n ASP 63 N 1.54 -4.39 -4.73 0.00 8.00 -1.26 -4.93 116.55 110.78 3klw n ASP 63 Ca 0.12 -0.31 -0.42 0.00 0.71 0.00 0.00 54.79 54.89 3klw n ASP 63 Cb 0.29 -3.61 -0.03 0.00 -0.02 0.00 0.00 41.12 37.76 3klw n ASP 63 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3klw s THR 64 N -2.97 2.74 0.37 -3.53 2.01 -0.70 -4.93 115.64 108.63 3klw s THR 64 Ca 0.34 0.58 -0.28 0.00 0.31 0.00 0.00 61.69 62.64 3klw s THR 64 Cb -0.17 -3.37 -0.11 0.00 0.01 0.00 0.00 72.50 68.86 3klw s THR 64 CO 0.42 0.07 1.49 -2.65 -0.69 0.00 0.00 174.62 173.26 3klw n PRO 65 N 3.05 2.68 -1.80 4.92 -0.02 -1.26 -4.84 135.00 137.73 3klw n PRO 65 Ca 0.10 0.94 -0.39 0.00 -2.02 0.00 0.00 63.50 62.12 3klw n PRO 65 Cb 0.40 -2.67 0.03 0.00 -0.02 0.00 0.00 33.50 31.23 3klw n PRO 65 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3klw s LEU 66 N -1.97 4.00 0.00 2.45 1.43 -1.26 -2.01 118.68 121.31 3klw s LEU 66 Ca 0.54 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 56.48 3klw s LEU 66 Cb -0.48 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 41.66 3klw s LEU 66 CO 0.63 -1.34 0.00 0.61 0.23 0.00 0.00 176.35 176.48 3klw n GLY 67 N 0.64 2.78 3.71 -3.19 0.00 0.17 -4.97 105.19 104.34 3klw n GLY 67 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3klw n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3klw n THR 68 N -2.00 1.46 -2.47 2.61 -1.04 -0.85 -4.49 114.28 107.50 3klw n THR 68 Ca 0.00 -0.37 -0.26 0.00 -2.04 0.00 0.00 64.05 61.39 3klw n THR 68 Cb 0.00 -1.66 0.03 0.00 -1.82 0.00 0.00 70.33 66.88 3klw n THR 68 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3klw s GLU 69 N -1.15 2.85 -0.30 -2.82 2.56 -1.26 -0.69 118.70 117.90 3klw s GLU 69 Ca 0.61 -0.13 -0.06 0.00 0.00 0.00 0.00 54.97 55.39 3klw s GLU 69 Cb -0.57 -2.31 0.16 0.00 2.00 0.00 0.00 34.13 33.41 3klw s GLU 69 CO 0.56 -0.69 0.62 -1.14 -0.56 0.00 0.00 175.26 174.04 3klw s GLN 71 N -4.95 0.57 0.30 4.30 0.74 -0.68 -1.26 119.66 118.68 3klw s GLN 71 Ca 0.54 1.23 0.05 0.00 0.05 0.00 0.00 55.36 57.23 3klw s GLN 71 Cb -0.10 0.70 -0.06 0.00 1.10 0.00 0.00 33.01 34.65 3klw s GLN 71 CO 0.44 -0.40 -0.00 0.14 -0.55 0.00 0.00 175.29 174.92 3klw s VAL 72 N 2.87 1.40 -0.05 1.34 -7.23 0.09 -1.84 120.40 116.97 3klw s VAL 72 Ca 0.07 -2.05 -0.20 0.00 -1.81 0.00 0.00 61.98 57.99 3klw s VAL 72 Cb -0.13 -2.60 0.04 0.00 0.56 0.00 0.00 36.38 34.24 3klw s VAL 72 CO -0.20 -0.17 0.44 0.00 -0.31 0.00 0.00 175.10 174.87 3klw s GLN 73 N -3.81 0.75 0.00 4.82 1.03 -0.54 -0.82 119.66 121.09 3klw s GLN 73 Ca 0.32 0.09 0.00 0.00 0.04 0.00 0.00 55.36 55.81 3klw s GLN 73 Cb 0.06 0.35 0.00 0.00 0.03 0.00 0.00 33.01 33.45 3klw s GLN 73 CO 0.13 -0.20 0.00 0.41 -2.54 0.00 0.00 175.29 173.09 3klw n GLY 74 N 1.46 -1.09 3.62 2.60 0.00 -0.68 -1.04 105.19 110.06 3klw n GLY 74 Ca -0.19 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 3klw n GLY 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3klw s PHE 75 N -3.00 2.76 0.12 1.61 -0.12 -0.73 -0.08 117.98 118.54 3klw s PHE 75 Ca 0.00 -0.17 -0.18 0.00 -0.05 0.00 0.00 56.93 56.53 3klw s PHE 75 Cb 0.00 -1.35 -0.07 0.00 -0.63 0.00 0.00 43.02 40.97 3klw s PHE 75 CO 0.00 0.51 0.59 -0.51 -0.05 0.00 0.00 175.22 175.75 3klw s LEU 76 N -2.80 4.45 0.05 -1.99 1.43 -1.26 0.06 118.68 118.62 3klw s LEU 76 Ca 0.26 1.23 -0.06 0.00 -1.03 0.00 0.00 54.13 54.53 3klw s LEU 76 Cb -0.09 -3.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.01 3klw s LEU 76 CO 0.17 0.19 0.10 0.00 0.23 0.00 0.00 176.35 177.04 3klw s ALA 77 N -1.27 -0.02 0.54 4.21 0.00 -0.74 -4.95 121.76 119.54 3klw s ALA 77 Ca 0.34 -0.66 -0.21 0.00 0.00 0.00 0.00 51.96 51.42 3klw s ALA 77 Cb -0.18 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 3klw s ALA 77 CO 0.19 -0.37 1.23 -1.25 0.00 0.00 0.00 175.76 175.56 3klw s PRO 78 N -3.08 3.27 0.14 0.00 0.04 -1.26 -1.35 135.00 132.76 3klw s PRO 78 Ca -0.01 1.90 -0.15 0.00 0.04 0.00 0.00 61.00 62.78 3klw s PRO 78 Cb 0.02 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.41 3klw s PRO 78 CO -0.07 -0.99 1.72 0.00 0.04 0.00 0.00 177.00 177.70 3klw h ALA 79 N 1.39 0.56 -2.46 8.56 0.00 -0.91 -3.43 119.26 122.97 3klw h ALA 79 Ca -0.50 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.06 3klw h ALA 79 Cb 1.28 -0.17 -0.16 0.00 0.00 0.00 0.00 17.79 18.74 3klw h ALA 79 CO 0.57 0.13 -0.70 0.50 0.00 0.00 0.00 179.25 179.75 3klw s ARG 80 N -5.68 0.74 0.07 0.00 3.52 -1.26 -5.00 118.95 111.33 3klw s ARG 80 Ca -0.13 -1.18 -0.37 0.00 -0.13 0.00 0.00 55.73 53.92 3klw s ARG 80 Cb 0.11 -0.19 -0.17 0.00 -1.56 0.00 0.00 34.95 33.13 3klw s ARG 80 CO 0.75 -0.01 1.29 1.17 -0.81 0.00 0.00 175.30 177.70 3klw n LYS 81 N 0.34 0.96 -1.57 5.12 4.81 -1.26 0.54 118.16 127.11 3klw n LYS 81 Ca -0.15 0.35 -0.20 0.00 -0.87 0.00 0.00 58.31 57.44 3klw n LYS 81 Cb 0.59 -1.96 -0.08 0.00 0.02 0.00 0.00 35.03 33.59 3klw n LYS 81 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3klw n ASP 82 N 2.35 -5.50 -4.80 3.14 8.00 -1.26 -4.97 116.55 113.51 3klw n ASP 82 Ca 0.19 0.48 -0.37 0.00 0.71 0.00 0.00 54.79 55.80 3klw n ASP 82 Cb 0.17 -4.72 -0.06 0.00 -0.02 0.00 0.00 41.12 36.49 3klw n ASP 82 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3klw s SER 83 N -2.75 7.21 0.02 -2.24 0.15 0.19 -4.94 113.70 111.34 3klw s SER 83 Ca 0.00 1.66 0.26 0.00 0.70 0.00 0.00 55.95 58.57 3klw s SER 83 Cb 0.00 -2.51 0.75 0.00 -1.71 0.00 0.00 66.02 62.55 3klw s SER 83 CO 0.00 -0.03 1.59 1.33 1.20 0.00 0.00 173.24 177.33 3klw n VAL 84 N 0.60 0.05 -2.71 4.45 0.24 -1.26 -4.61 118.33 115.10 3klw n VAL 84 Ca 0.00 -0.04 -0.34 0.00 -2.04 0.00 0.00 64.34 61.93 3klw n VAL 84 Cb 0.51 -0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.75 3klw n VAL 84 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3klw s LYS 85 N -3.02 4.14 0.07 7.34 1.02 -1.26 -4.95 119.74 123.07 3klw s LYS 85 Ca 0.12 1.25 0.07 0.00 0.02 0.00 0.00 55.97 57.42 3klw s LYS 85 Cb 0.17 -2.25 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 3klw s LYS 85 CO 0.64 -0.12 -0.18 0.14 -0.92 0.00 0.00 175.35 174.91 3klw s VAL 86 N -2.01 1.46 0.00 3.17 -7.23 -1.26 -0.30 120.40 114.23 3klw s VAL 86 Ca 0.62 -1.28 0.05 0.00 -1.81 0.00 0.00 61.98 59.56 3klw s VAL 86 Cb -0.13 -1.32 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 3klw s VAL 86 CO 0.17 0.00 -0.16 -0.75 -0.31 0.00 0.00 175.10 174.05 3klw s LYS 87 N -1.50 1.25 -0.22 4.82 2.20 -0.45 -4.60 119.74 121.24 3klw s LYS 87 Ca 0.04 -0.64 -0.23 0.00 -0.36 0.00 0.00 55.97 54.79 3klw s LYS 87 Cb -0.09 -1.23 -0.02 0.00 -1.51 0.00 0.00 37.83 34.98 3klw s LYS 87 CO 0.03 0.33 0.73 -1.17 -0.36 0.00 0.00 175.35 174.91 3klw s LEU 88 N -0.57 4.11 -0.46 5.43 2.96 -0.30 -1.79 118.68 128.05 3klw s LEU 88 Ca 0.06 0.92 -0.19 0.00 -0.22 0.00 0.00 54.13 54.70 3klw s LEU 88 Cb -0.07 -3.04 0.04 0.00 0.50 0.00 0.00 46.19 43.63 3klw s LEU 88 CO -0.00 -0.40 0.57 -1.00 -1.32 0.00 0.00 176.35 174.20 3klw s HIS 89 N 2.41 3.10 0.25 5.38 3.76 0.11 -1.07 115.29 129.22 3klw s HIS 89 Ca 0.32 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.55 3klw s HIS 89 Cb -0.16 -3.28 -0.10 0.00 1.11 0.00 0.00 32.58 30.15 3klw s HIS 89 CO 0.09 -0.89 1.44 -0.51 -0.85 0.00 0.00 174.74 174.03 3klw s LEU 90 N 2.50 4.39 0.00 0.89 1.43 -0.03 -1.77 118.68 126.09 3klw s LEU 90 Ca 0.16 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 3klw s LEU 90 Cb -0.17 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3klw s LEU 90 CO 0.14 -0.70 0.00 0.00 0.23 0.00 0.00 176.35 176.02 3klw n GLN 91 N 2.34 1.91 -3.78 1.70 6.02 -0.20 -4.73 117.38 120.63 3klw n GLN 91 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.93 3klw n GLN 91 Cb 0.40 -0.95 -0.11 0.00 1.02 0.00 0.00 30.24 30.61 3klw n GLN 91 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3klw s GLN 92 N -1.83 0.38 -0.10 -1.09 -0.21 -0.71 -5.01 119.66 111.09 3klw s GLN 92 Ca 0.00 0.25 -0.28 0.00 0.02 0.00 0.00 55.36 55.35 3klw s GLN 92 Cb 0.00 0.18 0.07 0.00 1.00 0.00 0.00 33.01 34.26 3klw s GLN 92 CO 0.00 -0.06 0.66 0.00 -2.12 0.00 0.00 175.29 173.77 3klw s ALA 93 N -0.16 -1.70 -0.09 6.09 0.00 -1.26 -1.47 121.76 123.18 3klw s ALA 93 Ca -0.03 1.41 -0.06 0.00 0.00 0.00 0.00 51.96 53.27 3klw s ALA 93 Cb -0.03 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.87 3klw s ALA 93 CO 0.01 -0.35 0.23 -0.98 0.00 0.00 0.00 175.76 174.66 3klw s ARG 94 N -0.84 0.22 -0.44 0.00 1.04 -0.77 -5.00 118.95 113.16 3klw s ARG 94 Ca -0.09 0.40 -0.21 0.00 -1.04 0.00 0.00 55.73 54.79 3klw s ARG 94 Cb -0.01 0.00 0.02 0.00 -2.04 0.00 0.00 34.95 32.92 3klw s ARG 94 CO 0.08 -0.09 0.69 0.50 -0.04 0.00 0.00 175.30 176.43 3klw s ARG 95 N 0.65 3.31 0.23 3.89 3.52 -1.26 -1.69 118.95 127.61 3klw s ARG 95 Ca -0.04 -0.30 -0.30 0.00 -0.13 0.00 0.00 55.73 54.96 3klw s ARG 95 Cb -0.06 -3.95 -0.09 0.00 -1.56 0.00 0.00 34.95 29.30 3klw s ARG 95 CO -0.04 -1.05 1.01 0.42 -0.81 0.00 0.00 175.30 174.84 3klw s ILE 96 N 2.96 3.90 -0.28 4.11 1.01 -0.39 -5.04 121.20 127.46 3klw s ILE 96 Ca 0.25 1.84 -0.03 0.00 0.00 0.00 0.00 60.65 62.71 3klw s ILE 96 Cb -0.14 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.20 3klw s ILE 96 CO 0.20 0.41 -0.01 0.00 0.00 0.00 0.00 174.94 175.54 3klw s ALA 97 N -0.94 2.82 -2.00 9.38 0.00 -1.26 -4.28 121.76 125.47 3klw s ALA 97 Ca 0.44 -1.60 0.16 0.00 0.00 0.00 0.00 51.96 50.95 3klw s ALA 97 Cb -0.28 -1.90 0.94 0.00 0.00 0.00 0.00 23.12 21.89 3klw s ALA 97 CO 0.35 -1.05 1.35 0.41 0.00 0.00 0.00 175.76 176.82