#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1n h LYS 2 N 0.00 0.00 0.00 2.12 1.63 -2.07 -3.45 116.57 114.79 2k1n h LYS 2 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2k1n h LYS 2 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2k1n h LYS 2 CO 0.00 0.11 0.00 -1.13 -3.45 0.00 0.00 179.45 174.98 2k1n n SER 3 N -3.04 0.00 0.03 4.20 3.41 -1.26 -5.06 113.62 111.89 2k1n n SER 3 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2k1n n SER 3 Cb 0.59 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2k1n n SER 3 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2k1n n THR 4 N -1.13 0.55 0.00 6.66 -1.04 -1.26 -5.12 114.28 112.94 2k1n n THR 4 Ca 0.00 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2k1n n THR 4 Cb 0.00 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 2k1n n THR 4 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k1n n GLY 5 N 3.07 0.67 3.41 3.41 0.00 -1.26 -3.68 105.19 110.82 2k1n n GLY 5 Ca 0.00 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 2k1n n GLY 5 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k1n n ILE 6 N 0.00 0.00 -4.05 -0.61 -5.35 -1.26 -4.78 119.36 103.31 2k1n n ILE 6 Ca 0.00 -2.48 -0.10 0.00 -0.27 0.00 0.00 62.75 59.90 2k1n n ILE 6 Cb 0.00 1.02 -0.11 0.00 -1.74 0.00 0.00 39.64 38.81 2k1n n ILE 6 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2k1n s VAL 7 N -3.24 0.35 -0.40 7.28 -7.23 -1.26 -5.12 120.40 110.78 2k1n s VAL 7 Ca 0.29 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 2k1n s VAL 7 Cb 0.01 -0.79 0.11 0.00 0.56 0.00 0.00 36.38 36.28 2k1n s VAL 7 CO 0.20 -0.60 0.14 -0.60 -0.31 0.00 0.00 175.10 173.93 2k1n s ARG 8 N -2.25 1.74 0.43 4.82 3.00 -1.26 -5.09 118.95 120.34 2k1n s ARG 8 Ca -0.06 -2.01 -0.25 0.00 -1.00 0.00 0.00 55.73 52.40 2k1n s ARG 8 Cb -0.05 -3.34 -0.08 0.00 0.00 0.00 0.00 34.95 31.48 2k1n s ARG 8 CO -0.03 -1.01 1.34 -1.59 0.00 0.00 0.00 175.30 174.02 2k1n s LYS 9 N 0.73 3.81 -0.68 5.12 -2.85 -1.26 -4.89 119.74 119.71 2k1n s LYS 9 Ca 0.12 2.23 -0.26 0.00 -1.00 0.00 0.00 55.97 57.05 2k1n s LYS 9 Cb -0.21 -2.67 -0.01 0.00 -2.06 0.00 0.00 37.83 32.87 2k1n s LYS 9 CO -0.06 -0.65 1.76 0.08 0.10 0.00 0.00 175.35 176.58 2k1n s VAL 10 N -1.26 3.44 0.50 1.79 1.01 -1.26 -4.93 120.40 119.70 2k1n s VAL 10 Ca 0.60 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.72 2k1n s VAL 10 Cb -0.40 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 31.84 2k1n s VAL 10 CO 0.51 -1.10 0.03 0.47 0.00 0.00 0.00 175.10 175.00 2k1n n ASP 11 N 12.23 3.05 0.00 3.32 8.00 -1.26 -5.01 116.55 136.88 2k1n n ASP 11 Ca 0.20 -3.27 0.10 0.00 0.71 0.00 0.00 54.79 52.53 2k1n n ASP 11 Cb 0.51 0.49 0.59 0.00 -0.02 0.00 0.00 41.12 42.69 2k1n n ASP 11 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k1n n GLU 12 N -1.23 0.91 -1.71 -1.24 -0.58 -1.26 -4.84 120.64 110.69 2k1n n GLU 12 Ca -0.19 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.13 2k1n n GLU 12 Cb 0.65 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 30.15 2k1n n GLU 12 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2k1n n LEU 13 N -0.84 3.96 -0.27 -4.62 7.99 -1.26 -4.90 117.00 117.05 2k1n n LEU 13 Ca 0.15 1.05 -0.04 0.00 -0.01 0.00 0.00 56.01 57.17 2k1n n LEU 13 Cb 0.07 -1.56 0.07 0.00 -0.11 0.00 0.00 43.42 41.89 2k1n n LEU 13 CO 0.11 0.16 1.18 1.23 -1.51 0.00 0.00 177.39 178.56 2k1n h GLY 14 N 6.91 1.07 0.00 -0.72 0.00 -2.04 -3.46 103.07 104.83 2k1n h GLY 14 Ca -0.43 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.52 2k1n h GLY 14 CO 0.95 0.35 0.00 0.54 0.00 0.00 0.00 176.54 178.38 2k1n n ARG 15 N -4.59 1.59 -3.78 4.80 3.00 -1.26 -5.13 116.66 111.29 2k1n n ARG 15 Ca 0.08 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.55 2k1n n ARG 15 Cb 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.38 2k1n n ARG 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2k1n s VAL 16 N 0.49 4.10 -0.46 1.55 0.11 -1.26 -5.06 120.40 119.88 2k1n s VAL 16 Ca 0.00 -0.27 -0.14 0.00 -2.93 0.00 0.00 61.98 58.64 2k1n s VAL 16 Cb 0.00 -2.92 0.08 0.00 -1.53 0.00 0.00 36.38 32.00 2k1n s VAL 16 CO 0.00 0.34 0.36 -0.69 -3.33 0.00 0.00 175.10 171.78 2k1n s VAL 17 N 1.58 4.96 0.28 2.04 1.01 -1.26 -5.07 120.40 123.94 2k1n s VAL 17 Ca 0.06 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.68 2k1n s VAL 17 Cb -0.15 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 2k1n s VAL 17 CO 0.02 -0.57 0.76 -0.63 0.00 0.00 0.00 175.10 174.69 2k1n s ILE 18 N 1.58 4.56 -0.47 2.22 -1.09 -1.26 -4.96 121.20 121.78 2k1n s ILE 18 Ca 0.04 1.24 -0.46 0.00 -2.23 0.00 0.00 60.65 59.23 2k1n s ILE 18 Cb -0.24 -3.77 -0.19 0.00 -1.58 0.00 0.00 42.46 36.67 2k1n s ILE 18 CO 0.05 0.04 1.64 -2.65 -1.23 0.00 0.00 174.94 172.79 2k1n n PRO 19 N 0.26 0.15 0.30 2.79 -0.02 -1.26 -4.79 135.00 132.43 2k1n n PRO 19 Ca 0.01 0.06 0.19 0.00 -2.02 0.00 0.00 63.50 61.73 2k1n n PRO 19 Cb 0.52 -1.58 1.02 0.00 -0.02 0.00 0.00 33.50 33.44 2k1n n PRO 19 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2k1n h ILE 20 N 5.12 0.19 0.00 4.25 2.04 -2.04 -0.77 117.51 126.30 2k1n h ILE 20 Ca -0.43 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2k1n h ILE 20 Cb 1.37 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2k1n h ILE 20 CO 0.98 0.00 0.00 -0.33 0.00 0.00 0.00 178.15 178.80 2k1n h GLU 21 N 0.00 0.00 0.00 2.37 3.07 -1.97 -2.78 114.58 115.27 2k1n h GLU 21 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2k1n h GLU 21 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2k1n h GLU 21 CO -0.00 0.00 0.00 -0.11 -1.40 0.00 0.00 179.01 177.50 2k1n n LEU 22 N -2.40 0.06 -0.17 1.33 7.94 -0.30 -1.16 117.00 122.30 2k1n n LEU 22 Ca -0.01 0.66 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 2k1n n LEU 22 Cb 0.07 -0.17 0.25 0.00 0.53 0.00 0.00 43.42 44.10 2k1n n LEU 22 CO 0.13 -0.17 1.16 -0.09 -1.11 0.00 0.00 177.39 177.31 2k1n h ARG 23 N 0.00 0.89 -0.37 1.96 2.43 -1.80 0.22 114.38 117.70 2k1n h ARG 23 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2k1n h ARG 23 Cb 0.00 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2k1n h ARG 23 CO 0.00 0.64 0.24 -0.09 -1.51 0.00 0.00 179.97 179.25 2k1n h ARG 24 N 0.90 0.50 -0.16 0.20 9.65 -1.56 -2.46 114.38 121.45 2k1n h ARG 24 Ca 0.23 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 2k1n h ARG 24 Cb -0.00 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 2k1n h ARG 24 CO -0.04 0.34 0.00 2.41 2.80 0.00 0.00 179.97 185.48 2k1n n THR 25 N -4.47 1.40 -0.08 0.20 -1.04 -0.31 -4.65 114.28 105.33 2k1n n THR 25 Ca 0.03 -1.39 -0.12 0.00 -2.04 0.00 0.00 64.05 60.53 2k1n n THR 25 Cb 0.07 0.23 -0.05 0.00 -1.82 0.00 0.00 70.33 68.76 2k1n n THR 25 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2k1n h LEU 26 N 0.98 0.46 -0.21 -4.42 6.46 -0.07 -3.48 115.31 115.04 2k1n h LEU 26 Ca 0.00 -0.36 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 2k1n h LEU 26 Cb 0.84 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2k1n h LEU 26 CO 0.04 0.71 0.00 0.61 -0.62 0.00 0.00 178.44 179.19 2k1n n GLY 27 N -0.18 0.69 3.94 3.75 0.00 -1.26 -5.06 105.19 107.07 2k1n n GLY 27 Ca -0.04 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 2k1n n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k1n s ILE 28 N -2.21 2.21 -0.00 -0.61 -4.36 -1.26 -5.04 121.20 109.93 2k1n s ILE 28 Ca 0.00 -0.27 -0.17 0.00 -0.26 0.00 0.00 60.65 59.96 2k1n s ILE 28 Cb 0.00 -2.94 -0.09 0.00 1.25 0.00 0.00 42.46 40.68 2k1n s ILE 28 CO 0.00 0.00 0.85 0.00 0.24 0.00 0.00 174.94 176.03 2k1n h ALA 29 N -0.75 -0.76 0.00 2.27 0.00 -2.01 -3.48 119.26 114.53 2k1n h ALA 29 Ca -0.43 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2k1n h ALA 29 Cb 1.30 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2k1n h ALA 29 CO 0.55 -0.72 0.00 -0.85 0.00 0.00 0.00 179.25 178.23 2k1n n GLU 30 N -4.43 0.00 -4.16 0.00 0.28 -1.26 -5.17 120.64 105.90 2k1n n GLU 30 Ca -0.07 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.82 2k1n n GLU 30 Cb 0.24 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.01 2k1n n GLU 30 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2k1n s LYS 31 N -1.05 1.09 0.01 3.44 -2.85 -1.26 -5.17 119.74 113.94 2k1n s LYS 31 Ca 0.00 -1.51 -0.19 0.00 -1.00 0.00 0.00 55.97 53.27 2k1n s LYS 31 Cb 0.00 0.27 0.04 0.00 -2.06 0.00 0.00 37.83 36.08 2k1n s LYS 31 CO 0.00 -0.34 0.41 0.34 0.10 0.00 0.00 175.35 175.85 2k1n s ASP 32 N -3.10 -0.30 -0.21 0.03 2.15 -1.26 -5.14 116.67 108.84 2k1n s ASP 32 Ca 0.31 0.14 -0.22 0.00 0.43 0.00 0.00 52.55 53.20 2k1n s ASP 32 Cb 0.07 0.39 -0.02 0.00 -0.30 0.00 0.00 42.92 43.06 2k1n s ASP 32 CO 0.07 -0.57 0.71 0.00 -0.17 0.00 0.00 175.17 175.21 2k1n s ALA 33 N -1.82 3.58 -0.17 3.66 0.00 -1.26 -5.04 121.76 120.70 2k1n s ALA 33 Ca -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 2k1n s ALA 33 Cb -0.02 -3.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 2k1n s ALA 33 CO 0.02 -0.70 -0.12 -1.17 0.00 0.00 0.00 175.76 173.78 2k1n s LEU 34 N 2.28 2.60 -0.32 0.00 2.96 -1.26 -3.95 118.68 120.99 2k1n s LEU 34 Ca 0.31 -0.44 -0.21 0.00 -0.22 0.00 0.00 54.13 53.57 2k1n s LEU 34 Cb -0.16 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 2k1n s LEU 34 CO 0.10 0.06 0.65 -0.70 -1.32 0.00 0.00 176.35 175.13 2k1n s GLU 35 N 0.98 3.86 -0.55 1.98 2.12 0.17 -4.91 118.70 122.36 2k1n s GLU 35 Ca -0.02 0.28 -0.18 0.00 0.36 0.00 0.00 54.97 55.41 2k1n s GLU 35 Cb -0.15 -3.74 0.09 0.00 0.26 0.00 0.00 34.13 30.59 2k1n s GLU 35 CO -0.02 -0.62 0.62 0.42 -0.54 0.00 0.00 175.26 175.12 2k1n s ILE 36 N 2.67 4.94 -0.17 -3.70 1.01 -1.26 -2.36 121.20 122.33 2k1n s ILE 36 Ca 0.26 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 2k1n s ILE 36 Cb -0.15 -4.38 -0.03 0.00 0.01 0.00 0.00 42.46 37.91 2k1n s ILE 36 CO 0.13 -0.94 0.02 -0.47 0.00 0.00 0.00 174.94 173.68 2k1n s TYR 37 N 2.38 3.15 -0.13 3.97 5.04 -0.58 -4.98 117.35 126.21 2k1n s TYR 37 Ca 0.10 -0.10 0.02 0.00 -2.44 0.00 0.00 57.07 54.65 2k1n s TYR 37 Cb -0.24 -2.04 0.02 0.00 0.35 0.00 0.00 41.96 40.05 2k1n s TYR 37 CO 0.07 0.06 -0.17 0.08 -1.34 0.00 0.00 175.55 174.25 2k1n s VAL 38 N 0.42 1.72 -0.43 3.14 1.01 -1.26 0.08 120.40 125.08 2k1n s VAL 38 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2k1n s VAL 38 Cb -0.13 -1.56 0.12 0.00 0.00 0.00 0.00 36.38 34.81 2k1n s VAL 38 CO 0.01 0.48 0.18 -0.62 0.00 0.00 0.00 175.10 175.16 2k1n s ASP 39 N 1.08 4.25 0.00 3.32 2.15 0.11 -4.97 116.67 122.61 2k1n s ASP 39 Ca -0.03 -2.54 0.00 0.00 0.43 0.00 0.00 52.55 50.41 2k1n s ASP 39 Cb -0.14 -1.41 0.00 0.00 -0.30 0.00 0.00 42.92 41.07 2k1n s ASP 39 CO -0.05 -0.30 0.00 0.47 -0.17 0.00 0.00 175.17 175.12 2k1n n ASP 40 N 3.72 0.00 -0.12 -0.34 8.00 -1.26 -0.83 116.55 125.71 2k1n n ASP 40 Ca 0.05 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.60 2k1n n ASP 40 Cb 0.36 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.53 2k1n n ASP 40 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2k1n n GLU 41 N 0.00 1.38 -3.89 -1.24 -0.00 -1.26 -4.99 120.64 110.65 2k1n n GLU 41 Ca 0.00 -1.88 -0.35 0.00 -0.00 0.00 0.00 57.16 54.93 2k1n n GLU 41 Cb 0.00 -1.13 -0.14 0.00 -0.00 0.00 0.00 31.44 30.18 2k1n n GLU 41 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2k1n s LYS 42 N -1.69 3.03 -0.24 3.44 1.02 -0.01 -5.09 119.74 120.19 2k1n s LYS 42 Ca 0.16 -0.87 -0.05 0.00 0.02 0.00 0.00 55.97 55.23 2k1n s LYS 42 Cb 0.14 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 2k1n s LYS 42 CO 0.02 -0.37 0.01 0.42 -0.92 0.00 0.00 175.35 174.51 2k1n s ILE 43 N 1.41 3.75 -0.28 2.17 1.09 -1.26 0.08 121.20 128.15 2k1n s ILE 43 Ca 0.02 -0.45 -0.04 0.00 -1.10 0.00 0.00 60.65 59.07 2k1n s ILE 43 Cb -0.16 -2.77 0.02 0.00 -1.06 0.00 0.00 42.46 38.49 2k1n s ILE 43 CO -0.02 0.32 0.02 -0.63 -0.10 0.00 0.00 174.94 174.53 2k1n s ILE 44 N 1.52 3.44 -0.49 2.92 1.01 0.11 -4.99 121.20 124.72 2k1n s ILE 44 Ca 0.05 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.64 2k1n s ILE 44 Cb -0.15 -2.80 0.10 0.00 0.01 0.00 0.00 42.46 39.62 2k1n s ILE 44 CO -0.00 0.08 0.40 -0.76 0.00 0.00 0.00 174.94 174.66 2k1n s LEU 45 N 1.40 5.76 0.00 2.97 1.43 -1.26 -1.52 118.68 127.46 2k1n s LEU 45 Ca 0.00 -1.64 0.02 0.00 -1.03 0.00 0.00 54.13 51.48 2k1n s LEU 45 Cb -0.17 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 2k1n s LEU 45 CO -0.00 -0.71 0.06 2.29 0.23 0.00 0.00 176.35 178.21 2k1n n LYS 46 N 5.11 0.20 -1.61 1.70 2.85 -1.00 -4.96 118.16 120.46 2k1n n LYS 46 Ca -0.12 -0.77 -0.32 0.00 -1.05 0.00 0.00 58.31 56.06 2k1n n LYS 46 Cb 0.42 0.60 0.05 0.00 -0.65 0.00 0.00 35.03 35.45 2k1n n LYS 46 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2k1n s LYS 47 N -2.32 2.85 0.46 -1.58 -0.14 -1.26 0.46 119.74 118.22 2k1n s LYS 47 Ca 0.09 1.09 -0.23 0.00 -1.36 0.00 0.00 55.97 55.55 2k1n s LYS 47 Cb 0.00 -1.97 -0.07 0.00 -1.68 0.00 0.00 37.83 34.11 2k1n s LYS 47 CO 0.06 -1.17 1.23 1.52 -0.76 0.00 0.00 175.35 176.22 2k1n s TYR 48 N -2.83 2.76 0.52 3.18 1.13 -1.25 -4.43 117.35 116.43 2k1n s TYR 48 Ca 0.61 1.48 -0.12 0.00 -1.41 0.00 0.00 57.07 57.63 2k1n s TYR 48 Cb -0.16 -3.51 -0.06 0.00 -1.10 0.00 0.00 41.96 37.14 2k1n s TYR 48 CO 0.50 -1.87 0.92 -1.59 -2.51 0.00 0.00 175.55 171.01 2k1n s LYS 49 N -2.63 3.73 0.00 -3.49 -2.85 -1.26 -4.94 119.74 108.30 2k1n s LYS 49 Ca 0.64 0.66 -0.04 0.00 -1.00 0.00 0.00 55.97 56.23 2k1n s LYS 49 Cb -0.33 -2.21 -0.19 0.00 -2.06 0.00 0.00 37.83 33.04 2k1n s LYS 49 CO 0.40 -0.31 2.79 -2.30 0.10 0.00 0.00 175.35 176.04 2k1n n PRO 50 N -2.01 1.47 -3.72 1.78 -0.02 -1.26 -4.74 135.00 126.51 2k1n n PRO 50 Ca 0.05 -0.71 -0.13 0.00 -2.02 0.00 0.00 63.50 60.68 2k1n n PRO 50 Cb 0.54 -1.83 -0.09 0.00 -0.02 0.00 0.00 33.50 32.10 2k1n n PRO 50 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2k1n s ASN 51 N 2.22 -0.44 0.39 2.55 2.47 -1.26 -5.18 114.94 115.70 2k1n s ASN 51 Ca 0.48 0.78 0.05 0.00 0.42 0.00 0.00 52.86 54.58 2k1n s ASN 51 Cb 0.23 0.81 -0.02 0.00 -1.45 0.00 0.00 41.25 40.82 2k1n s ASN 51 CO 0.00 -0.22 0.17 1.15 -3.72 0.00 0.00 177.10 174.48 2k1n n MET 52 N 2.53 0.55 -1.86 0.43 0.00 -1.26 -5.15 117.12 112.36 2k1n n MET 52 Ca -0.15 -3.38 -0.33 0.00 0.00 0.00 0.00 57.70 53.85 2k1n n MET 52 Cb 0.57 2.00 0.03 0.00 0.00 0.00 0.00 33.22 35.82 2k1n n MET 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2k1n s THR 53 N -3.11 3.61 -0.27 3.17 -4.23 -1.26 -4.96 115.64 108.58 2k1n s THR 53 Ca 0.24 0.72 -0.29 0.00 -1.18 0.00 0.00 61.69 61.18 2k1n s THR 53 Cb 0.01 -3.26 -0.00 0.00 1.34 0.00 0.00 72.50 70.59 2k1n s THR 53 CO 0.17 -0.49 1.31 0.00 -0.54 0.00 0.00 174.62 175.07