#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1n s LYS 2 N 0.00 0.36 0.00 0.03 2.20 -1.26 -5.04 119.74 116.03 2k1n s LYS 2 Ca 0.00 0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 55.94 2k1n s LYS 2 Cb 0.00 0.16 -0.14 0.00 -1.51 0.00 0.00 37.83 36.34 2k1n s LYS 2 CO 0.00 -0.68 2.47 0.43 -0.36 0.00 0.00 175.35 177.22 2k1n n SER 3 N 5.27 4.02 -1.57 1.43 7.64 -1.26 -4.18 113.62 124.99 2k1n n SER 3 Ca 0.07 -2.20 -0.12 0.00 1.01 0.00 0.00 58.87 57.63 2k1n n SER 3 Cb 0.56 -1.02 0.18 0.00 -1.01 0.00 0.00 64.21 62.92 2k1n n SER 3 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2k1n n THR 4 N 2.31 2.80 0.00 0.44 -1.04 -1.26 -4.84 114.28 112.69 2k1n n THR 4 Ca 0.23 -2.57 0.00 0.00 -2.04 0.00 0.00 64.05 59.67 2k1n n THR 4 Cb 0.60 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 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 -1.12 0.68 3.65 3.41 0.00 -1.26 -5.09 105.19 105.47 2k1n n GLY 5 Ca 0.43 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2k1n n GLY 5 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k1n s ILE 6 N -0.93 4.85 -0.42 -0.61 -1.09 -1.26 -5.01 121.20 116.73 2k1n s ILE 6 Ca 0.00 1.59 -0.24 0.00 -2.23 0.00 0.00 60.65 59.77 2k1n s ILE 6 Cb 0.00 -4.12 0.02 0.00 -1.58 0.00 0.00 42.46 36.78 2k1n s ILE 6 CO 0.00 -0.04 0.81 -0.69 -1.23 0.00 0.00 174.94 173.79 2k1n s VAL 7 N 2.61 4.64 -0.16 2.92 1.01 -1.26 -5.03 120.40 125.14 2k1n s VAL 7 Ca 0.36 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 2k1n s VAL 7 Cb -0.16 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 2k1n s VAL 7 CO 0.09 -0.65 -0.08 -0.60 0.00 0.00 0.00 175.10 173.86 2k1n s ARG 8 N 3.31 3.45 0.12 2.72 6.06 -1.26 -5.10 118.95 128.25 2k1n s ARG 8 Ca 0.32 -0.63 -0.30 0.00 -2.50 0.00 0.00 55.73 52.62 2k1n s ARG 8 Cb -0.12 -2.81 -0.06 0.00 0.06 0.00 0.00 34.95 32.01 2k1n s ARG 8 CO 0.21 0.09 1.06 0.21 -2.50 0.00 0.00 175.30 174.38 2k1n s LYS 9 N 0.71 4.59 0.67 5.12 2.20 -1.26 -5.00 119.74 126.77 2k1n s LYS 9 Ca -0.04 1.61 0.02 0.00 -0.36 0.00 0.00 55.97 57.21 2k1n s LYS 9 Cb -0.15 -3.34 0.13 0.00 -1.51 0.00 0.00 37.83 32.96 2k1n s LYS 9 CO 0.02 0.04 0.92 1.33 -0.36 0.00 0.00 175.35 177.30 2k1n n VAL 10 N 2.93 0.00 -2.08 4.02 0.24 -1.26 -4.82 118.33 117.36 2k1n n VAL 10 Ca 0.04 -1.62 0.00 0.00 -2.04 0.00 0.00 64.34 60.72 2k1n n VAL 10 Cb 0.48 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 2k1n n VAL 10 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2k1n n ASP 11 N -2.76 0.08 0.00 -1.34 8.00 -1.26 -4.96 116.55 114.30 2k1n n ASP 11 Ca 0.16 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.74 2k1n n ASP 11 Cb 0.57 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 42.07 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 0.00 0.19 -4.30 -1.24 1.02 -1.26 -4.72 120.64 110.34 2k1n n GLU 12 Ca 0.00 0.15 -0.24 0.00 -0.02 0.00 0.00 57.16 57.05 2k1n n GLU 12 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 2k1n n GLU 12 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2k1n n LEU 13 N -1.32 0.00 -4.49 -4.62 7.94 -1.26 -5.09 117.00 108.17 2k1n n LEU 13 Ca 0.07 -3.02 -0.43 0.00 -1.11 0.00 0.00 56.01 51.52 2k1n n LEU 13 Cb 0.13 1.08 -0.03 0.00 0.53 0.00 0.00 43.42 45.14 2k1n n LEU 13 CO 0.12 -0.47 1.02 -0.83 -1.11 0.00 0.00 177.39 176.12 2k1n s GLY 14 N -3.39 1.45 -0.92 -3.96 0.00 -1.26 -4.88 107.32 94.35 2k1n s GLY 14 Ca 0.23 -2.13 -0.06 0.00 0.00 0.00 0.00 44.72 42.75 2k1n s GLY 14 CO 0.16 2.25 0.84 -1.60 0.00 0.00 0.00 173.10 174.75 2k1n s ARG 15 N 4.07 3.52 -0.19 2.90 3.00 -1.26 -5.01 118.95 125.98 2k1n s ARG 15 Ca 0.32 -3.03 -0.03 0.00 -1.00 0.00 0.00 55.73 51.98 2k1n s ARG 15 Cb -0.09 -4.19 -0.01 0.00 0.00 0.00 0.00 34.95 30.66 2k1n s ARG 15 CO 0.01 -1.25 -0.06 0.08 0.00 0.00 0.00 175.30 174.08 2k1n s VAL 16 N -0.91 3.34 -0.60 7.11 1.01 -1.26 -4.49 120.40 124.60 2k1n s VAL 16 Ca 0.26 -0.52 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 2k1n s VAL 16 Cb -0.10 -2.49 0.15 0.00 0.00 0.00 0.00 36.38 33.94 2k1n s VAL 16 CO -0.09 0.46 0.53 -0.69 0.00 0.00 0.00 175.10 175.31 2k1n s VAL 17 N 1.09 5.05 -0.00 2.92 1.01 -1.26 -5.05 120.40 124.15 2k1n s VAL 17 Ca 0.01 -1.86 -0.30 0.00 0.00 0.00 0.00 61.98 59.83 2k1n s VAL 17 Cb -0.15 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2k1n s VAL 17 CO -0.01 -0.89 0.98 -0.63 0.00 0.00 0.00 175.10 174.55 2k1n s ILE 18 N 1.12 4.87 0.27 2.22 -1.09 -1.26 -5.00 121.20 122.34 2k1n s ILE 18 Ca 0.08 2.05 -0.30 0.00 -2.23 0.00 0.00 60.65 60.24 2k1n s ILE 18 Cb -0.24 -4.32 -0.13 0.00 -1.58 0.00 0.00 42.46 36.20 2k1n s ILE 18 CO -0.01 0.16 1.46 -2.65 -1.23 0.00 0.00 174.94 172.67 2k1n n PRO 19 N 3.91 2.27 0.27 2.79 -0.02 -1.26 -4.88 135.00 138.07 2k1n n PRO 19 Ca 0.06 0.80 0.13 0.00 -2.02 0.00 0.00 63.50 62.48 2k1n n PRO 19 Cb 0.51 -2.50 0.74 0.00 -0.02 0.00 0.00 33.50 32.24 2k1n n PRO 19 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2k1n h ILE 20 N 3.09 0.51 -0.94 4.25 6.09 -2.01 -2.36 117.51 126.15 2k1n h ILE 20 Ca -0.46 -0.51 0.11 0.00 -1.37 0.00 0.00 64.86 62.63 2k1n h ILE 20 Cb 1.26 1.34 -0.07 0.00 0.47 0.00 0.00 36.82 39.82 2k1n h ILE 20 CO 0.75 0.11 0.60 -0.33 -3.07 0.00 0.00 178.15 176.21 2k1n h GLU 21 N 0.00 0.89 -0.58 2.19 3.07 -1.99 -1.02 114.58 117.15 2k1n h GLU 21 Ca -0.00 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 2k1n h GLU 21 Cb 0.33 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 2k1n h GLU 21 CO 0.01 0.59 0.25 -0.07 -1.40 0.00 0.00 179.01 178.39 2k1n h LEU 22 N 0.92 0.78 -0.97 1.33 3.38 -1.80 -1.60 115.31 117.34 2k1n h LEU 22 Ca 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2k1n h LEU 22 Cb 0.46 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2k1n h LEU 22 CO -0.21 0.72 0.53 -0.09 0.09 0.00 0.00 178.44 179.48 2k1n h ARG 23 N 0.79 1.24 0.00 1.13 2.43 -1.32 0.27 114.38 118.93 2k1n h ARG 23 Ca 0.19 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2k1n h ARG 23 Cb 0.17 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2k1n h ARG 23 CO -0.02 0.88 0.00 0.54 -1.51 0.00 0.00 179.97 179.86 2k1n n ARG 24 N -4.35 0.16 -0.05 0.20 1.74 -0.81 -0.41 116.66 113.14 2k1n n ARG 24 Ca 0.10 0.28 -0.16 0.00 -0.77 0.00 0.00 57.85 57.30 2k1n n ARG 24 Cb 0.07 -1.74 -0.14 0.00 -1.02 0.00 0.00 32.46 29.63 2k1n n ARG 24 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2k1n n THR 25 N -2.03 1.61 0.11 0.55 -1.04 -0.22 -4.38 114.28 108.90 2k1n n THR 25 Ca 0.04 -0.70 -0.23 0.00 -2.04 0.00 0.00 64.05 61.12 2k1n n THR 25 Cb 0.29 -1.31 -0.14 0.00 -1.82 0.00 0.00 70.33 67.35 2k1n n THR 25 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2k1n h LEU 26 N 0.03 0.87 -2.92 -4.42 3.38 -0.35 -3.49 115.31 108.40 2k1n h LEU 26 Ca -0.45 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 56.66 2k1n h LEU 26 Cb 2.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2k1n h LEU 26 CO 0.03 1.65 0.00 0.61 0.09 0.00 0.00 178.44 180.82 2k1n n GLY 27 N 1.50 0.83 3.48 0.83 0.00 0.45 -5.09 105.19 107.20 2k1n n GLY 27 Ca -0.15 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.97 0.64 1.30 -0.61 -4.36 -1.24 -5.10 121.20 108.85 2k1n s ILE 28 Ca 0.00 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.17 2k1n s ILE 28 Cb 0.00 -2.44 0.32 0.00 1.25 0.00 0.00 42.46 41.60 2k1n s ILE 28 CO 0.00 0.00 1.07 0.00 0.24 0.00 0.00 174.94 176.25 2k1n s ALA 29 N -3.28 0.23 0.00 2.27 0.00 -1.26 -4.96 121.76 114.76 2k1n s ALA 29 Ca 0.27 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2k1n s ALA 29 Cb 0.04 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.31 2k1n s ALA 29 CO 0.15 -3.98 0.00 -0.85 0.00 0.00 0.00 175.76 171.09 2k1n n GLU 30 N -5.09 0.00 -2.75 0.00 -0.00 -1.26 -4.74 120.64 106.80 2k1n n GLU 30 Ca 0.15 0.02 -0.43 0.00 -0.00 0.00 0.00 57.16 56.89 2k1n n GLU 30 Cb 0.60 -0.18 0.00 0.00 -0.00 0.00 0.00 31.44 31.87 2k1n n GLU 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2k1n n LYS 31 N -1.45 3.51 0.00 3.44 5.02 -1.26 -4.91 118.16 122.51 2k1n n LYS 31 Ca 0.00 -3.79 0.00 0.00 -2.02 0.00 0.00 58.31 52.50 2k1n n LYS 31 Cb 0.00 -2.96 0.00 0.00 -0.02 0.00 0.00 35.03 32.05 2k1n n LYS 31 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k1n n ASP 32 N 4.71 0.98 -3.89 4.39 -0.08 -1.26 -5.15 116.55 116.25 2k1n n ASP 32 Ca 0.37 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.46 2k1n n ASP 32 Cb 0.40 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.70 2k1n n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k1n s ALA 33 N -2.06 0.60 0.21 -1.67 0.00 -1.26 -5.15 121.76 112.42 2k1n s ALA 33 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 51.96 52.04 2k1n s ALA 33 Cb 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2k1n s ALA 33 CO 0.00 0.00 -0.23 -0.51 0.00 0.00 0.00 175.76 175.02 2k1n s LEU 34 N 0.81 2.47 -0.05 0.00 1.43 -1.26 -4.66 118.68 117.42 2k1n s LEU 34 Ca -0.10 -0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 51.86 2k1n s LEU 34 Cb -0.13 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 2k1n s LEU 34 CO -0.00 0.09 0.70 -1.83 0.23 0.00 0.00 176.35 175.53 2k1n s GLU 35 N -2.86 4.43 -0.23 1.70 -1.05 0.06 -4.88 118.70 115.88 2k1n s GLU 35 Ca 0.22 0.89 -0.13 0.00 -0.15 0.00 0.00 54.97 55.80 2k1n s GLU 35 Cb -0.07 -3.43 -0.04 0.00 -0.44 0.00 0.00 34.13 30.15 2k1n s GLU 35 CO 0.11 0.12 0.27 0.42 0.95 0.00 0.00 175.26 177.13 2k1n s ILE 36 N 0.61 5.28 -0.06 1.83 1.01 -1.26 -2.27 121.20 126.34 2k1n s ILE 36 Ca 0.37 0.42 -0.05 0.00 0.00 0.00 0.00 60.65 61.39 2k1n s ILE 36 Cb -0.18 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.70 2k1n s ILE 36 CO 0.19 0.29 0.16 -0.47 0.00 0.00 0.00 174.94 175.11 2k1n s TYR 37 N 1.26 -0.18 -0.12 3.97 5.04 -0.35 -5.01 117.35 121.96 2k1n s TYR 37 Ca 0.13 0.46 -0.06 0.00 -2.44 0.00 0.00 57.07 55.16 2k1n s TYR 37 Cb -0.14 0.03 -0.04 0.00 0.35 0.00 0.00 41.96 42.16 2k1n s TYR 37 CO 0.06 -0.11 0.09 0.14 -1.34 0.00 0.00 175.55 174.40 2k1n s VAL 38 N 0.41 5.11 -0.51 3.14 -7.23 -1.26 0.33 120.40 120.39 2k1n s VAL 38 Ca -0.03 0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.22 2k1n s VAL 38 Cb -0.04 -3.22 0.13 0.00 0.56 0.00 0.00 36.38 33.81 2k1n s VAL 38 CO -0.02 0.59 0.27 -0.62 -0.31 0.00 0.00 175.10 175.01 2k1n s ASP 39 N -0.78 4.76 0.00 4.85 2.15 0.65 -4.92 116.67 123.38 2k1n s ASP 39 Ca 0.13 -2.71 0.00 0.00 0.43 0.00 0.00 52.55 50.40 2k1n s ASP 39 Cb -0.12 -1.72 0.00 0.00 -0.30 0.00 0.00 42.92 40.78 2k1n s ASP 39 CO 0.03 -0.33 0.00 -0.67 -0.17 0.00 0.00 175.17 174.03 2k1n n ASP 40 N 3.58 0.00 0.00 -0.34 2.03 -1.26 -1.49 116.55 119.07 2k1n n ASP 40 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2k1n n ASP 40 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2k1n n ASP 40 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k1n n GLU 41 N 0.00 0.00 -3.93 -0.67 2.13 -1.26 -5.07 120.64 111.84 2k1n n GLU 41 Ca 0.00 -0.29 -0.35 0.00 0.66 0.00 0.00 57.16 57.17 2k1n n GLU 41 Cb 0.00 -0.41 -0.11 0.00 0.27 0.00 0.00 31.44 31.19 2k1n n GLU 41 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2k1n s LYS 42 N 0.00 3.85 -0.53 5.31 1.02 -0.56 -5.06 119.74 123.78 2k1n s LYS 42 Ca 0.00 -0.40 -0.24 0.00 0.02 0.00 0.00 55.97 55.35 2k1n s LYS 42 Cb 0.00 -3.26 0.04 0.00 -0.52 0.00 0.00 37.83 34.09 2k1n s LYS 42 CO 0.00 0.10 0.90 0.42 -0.92 0.00 0.00 175.35 175.85 2k1n s ILE 43 N 0.85 4.46 -0.16 2.17 1.01 -1.26 -0.26 121.20 128.01 2k1n s ILE 43 Ca 0.04 0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.81 2k1n s ILE 43 Cb -0.14 -4.49 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 2k1n s ILE 43 CO 0.02 -1.02 0.47 -0.63 0.00 0.00 0.00 174.94 173.79 2k1n s ILE 44 N 3.77 5.17 -0.31 2.92 1.01 0.15 -4.95 121.20 128.96 2k1n s ILE 44 Ca 0.30 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2k1n s ILE 44 Cb -0.13 -3.81 0.07 0.00 0.01 0.00 0.00 42.46 38.61 2k1n s ILE 44 CO 0.20 0.27 0.01 -0.22 0.00 0.00 0.00 174.94 175.19 2k1n s LEU 45 N 1.06 4.13 0.31 2.97 2.96 -1.26 -1.21 118.68 127.64 2k1n s LEU 45 Ca 0.24 -1.58 0.03 0.00 -0.22 0.00 0.00 54.13 52.60 2k1n s LEU 45 Cb -0.15 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 2k1n s LEU 45 CO 0.09 -0.30 0.11 -1.59 -1.32 0.00 0.00 176.35 173.34 2k1n s LYS 46 N 1.13 1.61 0.19 1.98 -2.85 -0.96 -4.94 119.74 115.90 2k1n s LYS 46 Ca -0.01 -1.92 -0.31 0.00 -1.00 0.00 0.00 55.97 52.73 2k1n s LYS 46 Cb -0.20 -0.42 -0.10 0.00 -2.06 0.00 0.00 37.83 35.05 2k1n s LYS 46 CO -0.04 -0.35 1.48 0.15 0.10 0.00 0.00 175.35 176.69 2k1n s LYS 47 N -3.88 4.26 0.57 1.78 1.02 -1.26 -0.76 119.74 121.47 2k1n s LYS 47 Ca 0.34 2.27 -0.03 0.00 0.02 0.00 0.00 55.97 58.58 2k1n s LYS 47 Cb 0.06 -3.16 0.02 0.00 -0.52 0.00 0.00 37.83 34.24 2k1n s LYS 47 CO 0.15 -0.49 0.85 1.52 -0.92 0.00 0.00 175.35 176.46 2k1n s TYR 48 N 0.65 3.09 -0.01 3.18 1.13 -1.26 -4.79 117.35 119.34 2k1n s TYR 48 Ca 0.64 0.37 0.05 0.00 -1.41 0.00 0.00 57.07 56.72 2k1n s TYR 48 Cb -0.41 -2.74 -0.01 0.00 -1.10 0.00 0.00 41.96 37.69 2k1n s TYR 48 CO 0.36 -0.85 -0.16 0.21 -2.51 0.00 0.00 175.55 172.60 2k1n s LYS 49 N -4.90 1.26 0.08 -3.49 2.20 -1.26 -5.03 119.74 108.59 2k1n s LYS 49 Ca 0.55 -0.56 -0.36 0.00 -0.36 0.00 0.00 55.97 55.24 2k1n s LYS 49 Cb -0.10 -1.21 -0.16 0.00 -1.51 0.00 0.00 37.83 34.84 2k1n s LYS 49 CO 0.42 0.33 1.44 -0.35 -0.36 0.00 0.00 175.35 176.83 2k1n n PRO 50 N 2.69 1.43 -3.73 4.03 -0.04 -1.26 -4.98 135.00 133.14 2k1n n PRO 50 Ca -0.14 0.52 -0.15 0.00 -0.04 0.00 0.00 63.50 63.68 2k1n n PRO 50 Cb 0.55 -2.20 -0.15 0.00 -0.04 0.00 0.00 33.50 31.65 2k1n n PRO 50 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2k1n s ASN 51 N 0.86 0.20 -0.04 3.54 2.47 -1.26 -5.14 114.94 115.57 2k1n s ASN 51 Ca 0.84 0.25 -0.22 0.00 0.42 0.00 0.00 52.86 54.14 2k1n s ASN 51 Cb -0.88 0.14 -0.04 0.00 -1.45 0.00 0.00 41.25 39.01 2k1n s ASN 51 CO 0.46 -0.17 0.65 -0.04 -3.72 0.00 0.00 177.10 174.27 2k1n s MET 52 N 1.48 4.40 0.00 0.43 -1.94 -1.26 -5.07 119.30 117.33 2k1n s MET 52 Ca -0.05 0.81 0.00 0.00 -1.71 0.00 0.00 55.69 54.74 2k1n s MET 52 Cb -0.12 -3.40 0.00 0.00 2.01 0.00 0.00 34.83 33.32 2k1n s MET 52 CO -0.05 0.19 0.00 0.25 -0.01 0.00 0.00 175.02 175.40 2k1n n THR 53 N 3.33 0.00 -2.04 2.05 -2.24 -1.26 -4.88 114.28 109.24 2k1n n THR 53 Ca -0.04 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.46 2k1n n THR 53 Cb 0.51 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 2k1n n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50