#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 -0.16 -0.14 -0.44 2.01 -1.26 -4.20 115.64 111.45 3klw s THR 3 Ca 0.00 0.28 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 3klw s THR 3 Cb 0.00 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 3klw s THR 3 CO 0.00 0.12 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.71 3klw s LEU 4 N 1.77 2.78 -0.12 4.42 2.96 0.09 -4.97 118.68 125.61 3klw s LEU 4 Ca -0.02 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3klw s LEU 4 Cb -0.12 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3klw s LEU 4 CO -0.06 0.15 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.42 3klw s GLU 5 N 0.46 3.30 -0.17 1.98 2.02 -1.26 -1.97 118.70 123.06 3klw s GLU 5 Ca -0.09 -0.62 -0.13 0.00 0.02 0.00 0.00 54.97 54.16 3klw s GLU 5 Cb -0.16 -2.68 0.05 0.00 0.10 0.00 0.00 34.13 31.44 3klw s GLU 5 CO 0.04 0.32 0.43 -1.17 0.02 0.00 0.00 175.26 174.91 3klw s LEU 6 N 0.09 0.12 -0.02 1.80 2.96 -0.29 -5.02 118.68 118.33 3klw s LEU 6 Ca -0.04 0.90 -0.06 0.00 -0.22 0.00 0.00 54.13 54.72 3klw s LEU 6 Cb -0.14 1.46 -0.04 0.00 0.50 0.00 0.00 46.19 47.96 3klw s LEU 6 CO 0.04 -0.17 0.23 -0.94 -1.32 0.00 0.00 176.35 174.18 3klw s SER 7 N 0.77 6.45 0.17 3.68 1.04 -1.26 -1.15 113.70 123.40 3klw s SER 7 Ca -0.04 0.49 -0.24 0.00 0.48 0.00 0.00 55.95 56.64 3klw s SER 7 Cb -0.05 -2.06 0.06 0.00 0.10 0.00 0.00 66.02 64.06 3klw s SER 7 CO -0.06 0.28 0.88 0.00 0.98 0.00 0.00 173.24 175.33 3klw s ALA 8 N -1.26 -1.56 0.01 5.32 0.00 -1.26 -4.56 121.76 118.45 3klw s ALA 8 Ca 0.26 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.35 3klw s ALA 8 Cb -0.13 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 3klw s ALA 8 CO 0.15 -1.00 -0.05 0.50 0.00 0.00 0.00 175.76 175.36 3klw s ARG 9 N -3.44 2.58 -0.52 0.00 3.52 0.31 -4.38 118.95 117.03 3klw s ARG 9 Ca 0.11 -0.72 -0.28 0.00 -0.13 0.00 0.00 55.73 54.71 3klw s ARG 9 Cb -0.02 -2.53 0.03 0.00 -1.56 0.00 0.00 34.95 30.86 3klw s ARG 9 CO 0.02 0.60 1.11 0.08 -0.81 0.00 0.00 175.30 176.30 3klw s VAL 10 N -1.05 4.19 0.02 7.11 1.01 -0.48 -1.81 120.40 129.38 3klw s VAL 10 Ca 0.18 0.96 0.05 0.00 0.00 0.00 0.00 61.98 63.18 3klw s VAL 10 Cb -0.11 -4.62 -0.24 0.00 0.00 0.00 0.00 36.38 31.40 3klw s VAL 10 CO 0.09 -1.12 0.89 0.25 0.00 0.00 0.00 175.10 175.21 3klw h LEU 11 N 11.37 0.14 -7.44 3.92 5.85 -0.98 0.26 115.31 128.43 3klw h LEU 11 Ca -0.24 -0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.11 3klw h LEU 11 Cb 1.06 -0.05 -0.25 0.00 0.37 0.00 0.00 40.66 41.79 3klw h LEU 11 CO 1.13 1.18 -0.38 -1.61 -0.34 0.00 0.00 178.44 178.42 3klw s GLU 12 N -2.63 0.34 -0.18 1.25 2.02 -0.95 -4.87 118.70 113.66 3klw s GLU 12 Ca -0.05 0.38 -0.03 0.00 0.02 0.00 0.00 54.97 55.30 3klw s GLU 12 Cb 0.08 0.16 0.06 0.00 0.10 0.00 0.00 34.13 34.53 3klw s GLU 12 CO 0.83 -0.04 0.03 0.00 0.02 0.00 0.00 175.26 176.10 3klw s GLY 14 N 1.85 1.62 0.00 0.00 0.00 -0.22 -4.93 107.32 105.64 3klw s GLY 14 Ca -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.65 3klw s GLY 14 CO -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 173.10 172.86 3klw n ALA 15 N -4.66 0.00 -3.00 3.20 0.00 -1.26 -4.69 120.51 110.10 3klw n ALA 15 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3klw n ALA 15 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3klw n ALA 15 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3klw n ARG 17 N 0.00 0.00 -3.71 0.00 1.85 0.48 -4.70 116.66 110.57 3klw n ARG 17 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 3klw n ARG 17 Cb 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 3klw n ARG 17 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3klw s HIS 18 N -2.42 -0.40 1.06 2.89 3.76 -1.26 -1.52 115.29 117.40 3klw s HIS 18 Ca 0.00 0.92 -0.13 0.00 -0.15 0.00 0.00 55.06 55.69 3klw s HIS 18 Cb 0.00 0.09 0.22 0.00 1.11 0.00 0.00 32.58 34.00 3klw s HIS 18 CO 0.00 -0.27 1.08 0.95 -0.85 0.00 0.00 174.74 175.65 3klw s THR 19 N 1.40 1.96 0.31 1.30 -4.23 -0.23 -4.80 115.64 111.35 3klw s THR 19 Ca -0.08 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.73 3klw s THR 19 Cb -0.10 -2.42 0.30 0.00 1.34 0.00 0.00 72.50 71.62 3klw s THR 19 CO -0.09 0.00 1.90 -0.65 -0.54 0.00 0.00 174.62 175.24 3klw h PRO 20 N -2.12 0.00 -0.48 3.99 0.11 -2.02 0.17 132.00 131.64 3klw h PRO 20 Ca -0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3klw h PRO 20 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3klw h PRO 20 CO 0.55 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 3klw n ALA 21 N -1.87 2.53 -0.98 -0.75 0.00 -1.26 -4.91 120.51 113.27 3klw n ALA 21 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.61 3klw n ALA 21 Cb 0.16 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.10 0.43 3.72 0.00 0.00 0.59 -5.00 105.19 106.02 3klw n GLY 22 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 4.41 0.26 0.99 2.96 -1.25 -4.79 118.68 121.26 3klw s LEU 23 Ca 0.00 1.64 -0.30 0.00 -0.22 0.00 0.00 54.13 55.24 3klw s LEU 23 Cb 0.00 -3.50 -0.11 0.00 0.50 0.00 0.00 46.19 43.07 3klw s LEU 23 CO 0.00 -0.17 1.60 -2.84 -1.32 0.00 0.00 176.35 173.62 3klw s PRO 24 N 0.63 4.14 -0.01 0.98 0.02 -1.26 -1.07 135.00 138.43 3klw s PRO 24 Ca 0.48 2.54 0.01 0.00 0.02 0.00 0.00 61.00 64.05 3klw s PRO 24 Cb -0.21 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.26 3klw s PRO 24 CO 0.27 -0.63 -0.03 0.00 -0.33 0.00 0.00 177.00 176.28 3klw s ALA 25 N 0.32 0.31 0.00 -1.55 0.00 -0.58 -0.99 121.76 119.28 3klw s ALA 25 Ca 0.66 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.57 3klw s ALA 25 Cb -0.47 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 3klw s ALA 25 CO 0.43 0.03 -0.04 -1.17 0.00 0.00 0.00 175.76 175.00 3klw s LEU 26 N 0.27 2.03 -0.16 0.00 2.96 -0.20 -0.39 118.68 123.19 3klw s LEU 26 Ca -0.02 -0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3klw s LEU 26 Cb -0.05 -0.21 -0.00 0.00 0.50 0.00 0.00 46.19 46.42 3klw s LEU 26 CO -0.01 0.03 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.31 3klw s GLU 27 N -0.22 3.27 0.32 1.98 0.41 -1.26 -1.05 118.70 122.14 3klw s GLU 27 Ca 0.01 -0.72 0.08 0.00 -0.41 0.00 0.00 54.97 53.93 3klw s GLU 27 Cb -0.02 -2.68 -0.06 0.00 -1.78 0.00 0.00 34.13 29.58 3klw s GLU 27 CO -0.00 0.02 -0.07 -0.51 -0.49 0.00 0.00 175.26 174.20 3klw s LEU 28 N 0.84 2.63 -0.16 1.80 1.02 -0.47 -1.06 118.68 123.28 3klw s LEU 28 Ca -0.04 -1.20 0.02 0.00 0.02 0.00 0.00 54.13 52.92 3klw s LEU 28 Cb -0.15 -0.84 0.02 0.00 0.02 0.00 0.00 46.19 45.23 3klw s LEU 28 CO -0.00 -0.27 -0.20 -0.22 0.02 0.00 0.00 176.35 175.67 3klw s LEU 29 N -3.55 2.10 0.06 1.79 2.96 0.50 -0.97 118.68 121.58 3klw s LEU 29 Ca 0.31 -0.62 0.06 0.00 -0.22 0.00 0.00 54.13 53.66 3klw s LEU 29 Cb 0.03 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 3klw s LEU 29 CO 0.15 0.03 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.33 3klw s LEU 30 N 1.13 2.95 -0.07 -0.68 1.43 0.33 -0.26 118.68 123.51 3klw s LEU 30 Ca 0.01 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3klw s LEU 30 Cb -0.14 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.35 3klw s LEU 30 CO -0.09 0.22 -0.14 -0.69 0.23 0.00 0.00 176.35 175.89 3klw s VAL 31 N -1.09 1.26 -0.03 -1.59 1.01 -0.75 0.06 120.40 119.27 3klw s VAL 31 Ca 0.18 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3klw s VAL 31 Cb -0.11 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 3klw s VAL 31 CO 0.10 0.38 -0.19 -2.28 0.00 0.00 0.00 175.10 173.11 3klw s HIS 32 N 0.63 2.56 -0.13 5.22 2.46 0.48 -0.53 115.29 125.98 3klw s HIS 32 Ca -0.15 -0.26 -0.02 0.00 0.47 0.00 0.00 55.06 55.09 3klw s HIS 32 Cb -0.16 -1.57 -0.03 0.00 -0.13 0.00 0.00 32.58 30.69 3klw s HIS 32 CO 0.04 0.12 -0.05 -1.21 -2.47 0.00 0.00 174.74 171.17 3klw s GLU 33 N -0.76 3.39 0.07 2.88 0.41 -1.26 -1.43 118.70 122.00 3klw s GLU 33 Ca 0.11 -0.53 -0.01 0.00 -0.41 0.00 0.00 54.97 54.13 3klw s GLU 33 Cb -0.10 -2.81 -0.04 0.00 -1.78 0.00 0.00 34.13 29.40 3klw s GLU 33 CO 0.00 0.37 -0.02 -1.54 -0.49 0.00 0.00 175.26 173.59 3klw s SER 34 N -0.00 0.52 -0.08 -0.19 1.04 -0.73 -5.03 113.70 109.22 3klw s SER 34 Ca 0.00 -1.04 -0.03 0.00 0.48 0.00 0.00 55.95 55.37 3klw s SER 34 Cb -0.13 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 3klw s SER 34 CO 0.03 -0.61 0.04 -1.61 0.98 0.00 0.00 173.24 172.07 3klw s GLU 35 N -3.93 3.09 0.00 4.02 0.41 -1.26 -2.55 118.70 118.47 3klw s GLU 35 Ca 0.10 -0.36 0.00 0.00 -0.41 0.00 0.00 54.97 54.30 3klw s GLU 35 Cb 0.08 -2.89 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 3klw s GLU 35 CO -0.08 0.71 0.00 1.33 -0.49 0.00 0.00 175.26 176.74 3klw n VAL 36 N 1.97 0.00 -1.74 2.63 0.24 -1.26 -4.92 118.33 115.25 3klw n VAL 36 Ca -0.18 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.19 3klw n VAL 36 Cb 0.54 -0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 32.78 3klw n VAL 36 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3klw n ARG 43 N 0.61 -1.01 -3.40 7.34 1.74 -1.26 -4.91 116.66 115.77 3klw n ARG 43 Ca 0.00 0.66 -0.44 0.00 -0.77 0.00 0.00 57.85 57.31 3klw n ARG 43 Cb 0.00 -1.23 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 3klw n ARG 43 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3klw s ARG 44 N -1.00 3.80 -0.24 5.56 1.70 -1.26 -5.03 118.95 122.48 3klw s ARG 44 Ca 0.00 -2.97 -0.29 0.00 -0.47 0.00 0.00 55.73 52.01 3klw s ARG 44 Cb 0.00 -4.38 -0.03 0.00 -0.57 0.00 0.00 34.95 29.96 3klw s ARG 44 CO 0.00 -1.25 1.83 0.08 -1.08 0.00 0.00 175.30 174.88 3klw s VAL 45 N -0.79 3.42 -0.34 4.99 1.01 -1.06 -4.96 120.40 122.67 3klw s VAL 45 Ca 0.26 0.45 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 3klw s VAL 45 Cb -0.10 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 32.87 3klw s VAL 45 CO -0.09 -0.26 0.07 -0.70 0.00 0.00 0.00 175.10 174.13 3klw s GLU 46 N 5.36 2.12 -0.29 2.72 2.12 -1.26 -1.78 118.70 127.69 3klw s GLU 46 Ca 0.82 -1.56 -0.22 0.00 0.36 0.00 0.00 54.97 54.37 3klw s GLU 46 Cb -0.27 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 3klw s GLU 46 CO 0.33 -0.82 0.72 -1.17 -0.54 0.00 0.00 175.26 173.78 3klw s LEU 47 N 1.15 4.10 -0.07 2.70 2.96 -0.51 -4.94 118.68 124.07 3klw s LEU 47 Ca 0.02 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.56 3klw s LEU 47 Cb -0.21 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 3klw s LEU 47 CO -0.03 -0.52 -0.05 0.42 -1.32 0.00 0.00 176.35 174.84 3klw s THR 48 N 2.77 3.86 -0.08 3.68 -4.23 -1.26 -0.38 115.64 119.99 3klw s THR 48 Ca 0.29 -0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 60.35 3klw s THR 48 Cb -0.15 -2.59 0.04 0.00 1.34 0.00 0.00 72.50 71.14 3klw s THR 48 CO 0.11 0.60 0.19 -0.63 -0.54 0.00 0.00 174.62 174.35 3klw s ILE 49 N -0.79 -0.08 0.00 2.99 1.01 0.11 -4.99 121.20 119.45 3klw s ILE 49 Ca 0.12 0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.67 3klw s ILE 49 Cb -0.11 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 3klw s ILE 49 CO 0.02 0.08 0.92 -0.44 0.00 0.00 0.00 174.94 175.52 3klw s SER 50 N 1.34 7.31 0.13 3.58 0.01 -1.26 -0.52 113.70 124.29 3klw s SER 50 Ca -0.08 1.59 0.10 0.00 1.31 0.00 0.00 55.95 58.87 3klw s SER 50 Cb -0.11 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 3klw s SER 50 CO -0.07 -0.20 -0.25 0.00 0.41 0.00 0.00 173.24 173.13 3klw s ALA 51 N 0.82 2.20 -0.08 1.44 0.00 -0.14 -0.66 121.76 125.33 3klw s ALA 51 Ca 0.48 -1.41 0.03 0.00 0.00 0.00 0.00 51.96 51.07 3klw s ALA 51 Cb -0.21 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3klw s ALA 51 CO 0.26 0.47 -0.18 0.14 0.00 0.00 0.00 175.76 176.46 3klw s VAL 52 N -1.15 1.57 -0.08 0.00 -7.23 0.16 -1.36 120.40 112.30 3klw s VAL 52 Ca 0.12 -0.73 0.03 0.00 -1.81 0.00 0.00 61.98 59.59 3klw s VAL 52 Cb -0.10 -1.39 -0.02 0.00 0.56 0.00 0.00 36.38 35.44 3klw s VAL 52 CO 0.06 0.45 -0.16 0.00 -0.31 0.00 0.00 175.10 175.14 3klw s ALA 53 N 0.52 2.55 0.22 1.32 0.00 -0.22 -1.03 121.76 125.13 3klw s ALA 53 Ca -0.16 -0.96 0.11 0.00 0.00 0.00 0.00 51.96 50.95 3klw s ALA 53 Cb -0.17 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 3klw s ALA 53 CO 0.06 0.42 -0.20 -1.17 0.00 0.00 0.00 175.76 174.87 3klw s LEU 54 N -0.22 2.60 0.00 0.00 2.96 -1.26 -1.03 118.68 121.72 3klw s LEU 54 Ca 0.00 -0.87 0.00 0.00 -0.22 0.00 0.00 54.13 53.04 3klw s LEU 54 Cb -0.13 -1.24 0.00 0.00 0.50 0.00 0.00 46.19 45.32 3klw s LEU 54 CO 0.03 0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 3klw n GLY 55 N -0.12 3.26 0.36 7.98 0.00 -0.16 -2.23 105.19 114.28 3klw n GLY 55 Ca -0.09 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 45.97 3klw n GLY 55 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3klw h ASP 56 N 0.00 0.80 -0.38 1.61 3.58 -1.97 -2.58 116.42 117.48 3klw h ASP 56 Ca 0.00 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.39 3klw h ASP 56 Cb 0.00 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 3klw h ASP 56 CO 0.00 0.50 0.02 -0.07 -2.88 0.00 0.00 179.24 176.81 3klw h LEU 57 N 0.91 0.72 -0.85 2.28 3.38 -1.83 -2.06 115.31 117.85 3klw h LEU 57 Ca 0.38 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3klw h LEU 57 Cb 0.28 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3klw h LEU 57 CO -0.14 0.77 0.52 0.00 0.09 0.00 0.00 178.44 179.68 3klw h ALA 58 N 1.31 1.08 -0.37 1.53 0.00 -1.46 -1.57 119.26 119.78 3klw h ALA 58 Ca 0.14 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3klw h ALA 58 Cb 0.41 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3klw h ALA 58 CO 0.01 0.53 -0.13 -0.07 0.00 0.00 0.00 179.25 179.60 3klw h LEU 59 N 1.16 0.66 -0.40 0.00 3.38 -1.36 0.14 115.31 118.90 3klw h LEU 59 Ca 0.30 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3klw h LEU 59 Cb -0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3klw h LEU 59 CO -0.06 0.81 0.07 0.25 0.09 0.00 0.00 178.44 179.60 3klw h LEU 60 N 0.61 0.62 0.00 1.67 5.85 -1.05 -3.22 115.31 119.79 3klw h LEU 60 Ca 0.10 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3klw h LEU 60 Cb 0.57 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3klw h LEU 60 CO 0.04 0.72 -0.62 -0.07 -0.34 0.00 0.00 178.44 178.16 3klw h LEU 61 N 0.50 0.00 -9.63 2.25 3.38 -1.14 -3.46 115.31 107.20 3klw h LEU 61 Ca 0.12 -0.14 -0.58 0.00 0.09 0.00 0.00 57.88 57.37 3klw h LEU 61 Cb 0.36 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.21 3klw h LEU 61 CO 0.01 0.07 0.42 0.00 0.09 0.00 0.00 178.44 179.02 3klw n ALA 62 N -1.92 0.79 -2.52 1.53 0.00 0.49 -1.77 120.51 117.11 3klw n ALA 62 Ca 0.03 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.66 3klw n ALA 62 Cb 0.47 -2.19 -0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 1.18 -5.22 -4.72 0.00 8.00 -1.26 -4.94 116.55 109.58 3klw n ASP 63 Ca 0.08 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 3klw n ASP 63 Cb 0.34 -4.35 -0.03 0.00 -0.02 0.00 0.00 41.12 37.06 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 -2.92 3.46 0.31 -3.53 2.01 -0.73 -4.95 115.64 109.29 3klw s THR 64 Ca 0.05 1.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.84 3klw s THR 64 Cb -0.02 -3.69 -0.11 0.00 0.01 0.00 0.00 72.50 68.68 3klw s THR 64 CO 0.06 0.11 1.51 -2.84 -0.69 0.00 0.00 174.62 172.76 3klw s PRO 65 N 0.77 4.17 0.62 4.92 0.02 -1.26 -4.79 135.00 139.44 3klw s PRO 65 Ca 0.61 2.49 -0.19 0.00 0.02 0.00 0.00 61.00 63.93 3klw s PRO 65 Cb -0.35 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.12 3klw s PRO 65 CO 0.32 -0.52 1.28 -0.51 -0.33 0.00 0.00 177.00 177.24 3klw s LEU 66 N -1.04 3.64 0.00 -5.54 1.43 -1.26 -2.25 118.68 113.66 3klw s LEU 66 Ca 0.58 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 56.27 3klw s LEU 66 Cb -0.45 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.21 3klw s LEU 66 CO 0.52 -1.83 0.00 0.61 0.23 0.00 0.00 176.35 175.87 3klw n GLY 67 N 0.78 3.15 3.73 -3.19 0.00 0.90 -4.95 105.19 105.61 3klw n GLY 67 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 0.37 -2.15 2.61 -1.04 -0.96 -4.55 114.28 106.57 3klw n THR 68 Ca 0.00 -0.09 -0.29 0.00 -2.04 0.00 0.00 64.05 61.62 3klw n THR 68 Cb 0.00 -1.95 0.02 0.00 -1.82 0.00 0.00 70.33 66.57 3klw n THR 68 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3klw s GLU 69 N 0.55 3.35 -0.28 -2.82 0.41 -1.26 -1.38 118.70 117.27 3klw s GLU 69 Ca 0.71 0.44 -0.07 0.00 -0.41 0.00 0.00 54.97 55.64 3klw s GLU 69 Cb -0.51 -2.17 0.13 0.00 -1.78 0.00 0.00 34.13 29.80 3klw s GLU 69 CO 0.38 -0.58 0.59 -0.65 -0.49 0.00 0.00 175.26 174.51 3klw s GLN 71 N -5.07 0.52 0.19 1.61 -0.21 -0.18 -2.03 119.66 114.49 3klw s GLN 71 Ca 0.53 1.26 0.07 0.00 0.02 0.00 0.00 55.36 57.25 3klw s GLN 71 Cb -0.11 0.66 -0.05 0.00 1.00 0.00 0.00 33.01 34.52 3klw s GLN 71 CO 0.50 -0.31 -0.14 0.14 -2.12 0.00 0.00 175.29 173.36 3klw s VAL 72 N 2.82 1.64 -0.04 1.09 -7.23 -0.30 -0.96 120.40 117.42 3klw s VAL 72 Ca 0.00 -2.15 -0.13 0.00 -1.81 0.00 0.00 61.98 57.89 3klw s VAL 72 Cb -0.13 -1.98 0.02 0.00 0.56 0.00 0.00 36.38 34.85 3klw s VAL 72 CO -0.18 -0.60 0.30 -1.58 -0.31 0.00 0.00 175.10 172.73 3klw s GLN 73 N -3.57 0.56 0.00 4.82 2.00 -0.58 -1.14 119.66 121.76 3klw s GLN 73 Ca 0.21 -0.02 0.00 0.00 -2.00 0.00 0.00 55.36 53.55 3klw s GLN 73 Cb -0.01 0.25 0.00 0.00 0.80 0.00 0.00 33.01 34.06 3klw s GLN 73 CO 0.06 -0.14 0.00 0.41 -0.50 0.00 0.00 175.29 175.12 3klw n GLY 74 N 1.78 -1.02 3.65 2.59 0.00 -0.83 -0.03 105.19 111.33 3klw n GLY 74 Ca -0.19 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 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 2.84 -0.03 1.61 -0.12 -0.78 -0.73 117.98 117.76 3klw s PHE 75 Ca 0.00 -0.13 -0.09 0.00 -0.05 0.00 0.00 56.93 56.66 3klw s PHE 75 Cb 0.00 -1.40 -0.05 0.00 -0.63 0.00 0.00 43.02 40.94 3klw s PHE 75 CO 0.00 0.50 0.26 -0.51 -0.05 0.00 0.00 175.22 175.43 3klw s LEU 76 N -2.78 4.40 0.05 -1.99 1.43 -1.26 -0.16 118.68 118.36 3klw s LEU 76 Ca 0.26 0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 53.86 3klw s LEU 76 Cb -0.10 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.68 3klw s LEU 76 CO 0.18 0.32 0.30 0.00 0.23 0.00 0.00 176.35 177.38 3klw s ALA 77 N -1.16 -0.68 0.56 4.21 0.00 -0.74 -4.98 121.76 118.96 3klw s ALA 77 Ca 0.23 -0.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.97 3klw s ALA 77 Cb -0.14 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 3klw s ALA 77 CO 0.12 -0.42 1.28 -1.25 0.00 0.00 0.00 175.76 175.49 3klw s PRO 78 N -2.60 3.11 0.41 0.00 0.04 -1.26 -0.58 135.00 134.11 3klw s PRO 78 Ca -0.05 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.12 3klw s PRO 78 Cb -0.01 -2.14 0.87 0.00 0.04 0.00 0.00 34.50 33.26 3klw s PRO 78 CO -0.04 -1.16 2.03 0.00 0.04 0.00 0.00 177.00 177.88 3klw h ALA 79 N 1.28 1.76 -2.54 8.56 0.00 -1.01 -3.43 119.26 123.89 3klw h ALA 79 Ca -0.51 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.49 3klw h ALA 79 Cb 1.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3klw h ALA 79 CO 0.57 0.18 0.47 2.89 0.00 0.00 0.00 179.25 183.36 3klw n ARG 80 N -4.47 0.66 -1.64 0.00 1.85 -1.26 -5.02 116.66 106.78 3klw n ARG 80 Ca 0.06 -1.45 -0.54 0.00 -1.00 0.00 0.00 57.85 54.92 3klw n ARG 80 Cb 0.14 1.93 -0.07 0.00 -1.05 0.00 0.00 32.46 33.41 3klw n ARG 80 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3klw n LYS 81 N -0.62 1.41 -1.32 2.89 5.02 -1.26 -0.95 118.16 123.33 3klw n LYS 81 Ca -0.03 0.49 -0.11 0.00 -2.02 0.00 0.00 58.31 56.64 3klw n LYS 81 Cb 0.52 -2.33 -0.05 0.00 -0.02 0.00 0.00 35.03 33.16 3klw n LYS 81 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3klw n ASP 82 N 6.80 -5.51 -4.78 4.39 8.00 -1.26 -4.97 116.55 119.22 3klw n ASP 82 Ca 0.29 0.27 -0.37 0.00 0.71 0.00 0.00 54.79 55.70 3klw n ASP 82 Cb 0.19 -3.98 -0.02 0.00 -0.02 0.00 0.00 41.12 37.29 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 -2.45 6.43 0.03 -2.24 0.15 -0.13 -4.92 113.70 110.57 3klw s SER 83 Ca 0.00 2.18 0.27 0.00 0.70 0.00 0.00 55.95 59.09 3klw s SER 83 Cb 0.00 -2.59 0.85 0.00 -1.71 0.00 0.00 66.02 62.57 3klw s SER 83 CO 0.00 -0.73 1.67 0.55 1.20 0.00 0.00 173.24 175.93 3klw n VAL 84 N -0.33 0.08 -3.45 4.45 3.14 -1.26 -4.73 118.33 116.23 3klw n VAL 84 Ca 0.06 -0.05 -0.30 0.00 -2.96 0.00 0.00 64.34 61.09 3klw n VAL 84 Cb 0.49 -0.20 -0.04 0.00 -1.06 0.00 0.00 33.84 33.03 3klw n VAL 84 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3klw s LYS 85 N -3.02 3.67 0.28 1.45 1.02 -1.26 -5.01 119.74 116.87 3klw s LYS 85 Ca 0.12 0.05 0.11 0.00 0.02 0.00 0.00 55.97 56.27 3klw s LYS 85 Cb 0.17 -2.70 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 3klw s LYS 85 CO 0.62 0.31 -0.13 0.14 -0.92 0.00 0.00 175.35 175.36 3klw s VAL 86 N -1.90 2.77 0.00 3.17 -7.23 -1.26 -0.43 120.40 115.52 3klw s VAL 86 Ca 0.44 -2.25 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 3klw s VAL 86 Cb -0.11 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 3klw s VAL 86 CO 0.26 -0.38 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.05 3klw s LYS 87 N -3.57 0.58 -0.33 4.82 1.02 0.25 -4.51 119.74 118.00 3klw s LYS 87 Ca 0.31 -0.32 -0.19 0.00 0.02 0.00 0.00 55.97 55.78 3klw s LYS 87 Cb -0.05 -0.54 -0.01 0.00 -0.52 0.00 0.00 37.83 36.71 3klw s LYS 87 CO 0.17 0.14 0.58 -1.17 -0.92 0.00 0.00 175.35 174.15 3klw s LEU 88 N -0.35 4.22 -0.62 3.17 2.96 0.16 -1.79 118.68 126.42 3klw s LEU 88 Ca 0.01 0.24 -0.22 0.00 -0.22 0.00 0.00 54.13 53.94 3klw s LEU 88 Cb -0.04 -2.72 0.07 0.00 0.50 0.00 0.00 46.19 44.00 3klw s LEU 88 CO -0.00 -0.48 0.90 -1.00 -1.32 0.00 0.00 176.35 174.44 3klw s HIS 89 N 2.54 2.76 0.26 5.38 3.76 0.77 0.36 115.29 131.12 3klw s HIS 89 Ca 0.23 -0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 54.29 3klw s HIS 89 Cb -0.15 -4.17 -0.11 0.00 1.11 0.00 0.00 32.58 29.26 3klw s HIS 89 CO 0.13 -1.52 1.56 -0.51 -0.85 0.00 0.00 174.74 173.55 3klw s LEU 90 N 3.74 4.36 0.00 0.89 1.43 -0.20 -1.87 118.68 127.03 3klw s LEU 90 Ca 0.21 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 56.15 3klw s LEU 90 Cb -0.18 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3klw s LEU 90 CO 0.11 -0.85 0.00 0.00 0.23 0.00 0.00 176.35 175.83 3klw n GLN 91 N 2.55 1.14 -3.73 1.70 6.02 0.96 -4.69 117.38 121.33 3klw n GLN 91 Ca 0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.95 3klw n GLN 91 Cb 0.38 -0.92 -0.08 0.00 1.02 0.00 0.00 30.24 30.65 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 0.77 -0.24 -1.09 -0.21 -0.52 -4.99 119.66 111.55 3klw s GLN 92 Ca 0.00 -0.26 -0.26 0.00 0.02 0.00 0.00 55.36 54.86 3klw s GLN 92 Cb 0.00 0.34 0.11 0.00 1.00 0.00 0.00 33.01 34.46 3klw s GLN 92 CO 0.00 -0.23 0.95 0.00 -2.12 0.00 0.00 175.29 173.89 3klw s ALA 93 N -1.77 -1.92 -0.03 6.09 0.00 -1.26 -1.52 121.76 121.35 3klw s ALA 93 Ca -0.10 1.81 -0.17 0.00 0.00 0.00 0.00 51.96 53.50 3klw s ALA 93 Cb -0.03 -1.16 0.03 0.00 0.00 0.00 0.00 23.12 21.96 3klw s ALA 93 CO 0.02 -0.28 0.37 -0.98 0.00 0.00 0.00 175.76 174.89 3klw s ARG 94 N -0.08 0.70 0.89 0.00 1.70 -0.13 -4.99 118.95 117.03 3klw s ARG 94 Ca 0.01 -0.07 -0.13 0.00 -0.47 0.00 0.00 55.73 55.06 3klw s ARG 94 Cb -0.04 0.32 0.20 0.00 -0.57 0.00 0.00 34.95 34.86 3klw s ARG 94 CO -0.02 -0.19 1.21 -2.13 -1.08 0.00 0.00 175.30 173.08 3klw n ARG 95 N 1.35 -1.05 0.00 3.89 0.63 -1.26 -1.01 116.66 119.21 3klw n ARG 95 Ca -0.21 -2.03 0.00 0.00 -0.92 0.00 0.00 57.85 54.69 3klw n ARG 95 Cb 0.56 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 32.28 3klw n ARG 95 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56