#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 2.00 -0.16 0.03 -0.14 -1.26 -4.87 119.74 115.34 2k1n s LYS 2 Ca 0.00 1.25 -0.06 0.00 -1.36 0.00 0.00 55.97 55.80 2k1n s LYS 2 Cb 0.00 -1.86 -0.23 0.00 -1.68 0.00 0.00 37.83 34.06 2k1n s LYS 2 CO 0.00 -1.85 3.32 0.43 -0.76 0.00 0.00 175.35 176.49 2k1n n SER 3 N -3.66 5.15 -1.28 2.83 7.64 -1.26 -3.95 113.62 119.08 2k1n n SER 3 Ca 0.10 -2.41 -0.05 0.00 1.01 0.00 0.00 58.87 57.52 2k1n n SER 3 Cb 0.53 -1.32 0.21 0.00 -1.01 0.00 0.00 64.21 62.62 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 2.66 2.61 -1.23 0.44 -1.04 -1.26 -4.87 114.28 111.59 2k1n n THR 4 Ca 0.43 -2.47 0.00 0.00 -2.04 0.00 0.00 64.05 59.97 2k1n n THR 4 Cb 0.78 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 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 -1.00 0.75 3.41 3.41 0.00 -1.26 -5.09 105.19 105.42 2k1n n GLY 5 Ca 0.35 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.33 2.94 0.62 -0.61 1.01 -1.25 -5.12 121.20 116.45 2k1n s ILE 6 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.76 2k1n s ILE 6 Cb 0.00 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 2k1n s ILE 6 CO 0.00 0.57 1.06 0.68 0.00 0.00 0.00 174.94 177.25 2k1n s VAL 7 N -0.29 3.83 -0.10 2.92 -7.23 -1.26 -4.96 120.40 113.32 2k1n s VAL 7 Ca 0.02 0.79 -0.22 0.00 -1.81 0.00 0.00 61.98 60.76 2k1n s VAL 7 Cb -0.13 -3.36 0.05 0.00 0.56 0.00 0.00 36.38 33.50 2k1n s VAL 7 CO 0.03 -0.58 0.53 -0.60 -0.31 0.00 0.00 175.10 174.16 2k1n s ARG 8 N -4.32 0.80 0.25 4.82 3.00 -1.26 -4.95 118.95 117.29 2k1n s ARG 8 Ca 0.62 0.31 -0.30 0.00 -1.00 0.00 0.00 55.73 55.36 2k1n s ARG 8 Cb -0.16 0.38 -0.10 0.00 0.00 0.00 0.00 34.95 35.06 2k1n s ARG 8 CO 0.42 -0.20 1.51 0.21 0.00 0.00 0.00 175.30 177.24 2k1n s LYS 9 N -0.70 4.21 0.02 5.12 2.20 -1.26 -5.02 119.74 124.30 2k1n s LYS 9 Ca -0.08 2.40 0.04 0.00 -0.36 0.00 0.00 55.97 57.98 2k1n s LYS 9 Cb -0.03 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.17 2k1n s LYS 9 CO 0.05 -0.52 -0.09 0.08 -0.36 0.00 0.00 175.35 174.51 2k1n s VAL 10 N 0.19 3.45 0.74 4.02 1.01 -1.26 -4.51 120.40 124.04 2k1n s VAL 10 Ca 0.62 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 2k1n s VAL 10 Cb -0.44 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.49 2k1n s VAL 10 CO 0.43 0.37 1.15 -0.62 0.00 0.00 0.00 175.10 176.42 2k1n s ASP 11 N -1.45 4.33 0.42 3.32 2.15 -1.26 -4.93 116.67 119.25 2k1n s ASP 11 Ca 0.17 2.13 0.17 0.00 0.43 0.00 0.00 52.55 55.44 2k1n s ASP 11 Cb -0.11 -2.56 0.94 0.00 -0.30 0.00 0.00 42.92 40.89 2k1n s ASP 11 CO 0.07 -2.16 1.91 1.05 -0.17 0.00 0.00 175.17 175.87 2k1n h GLU 12 N -0.59 0.00 0.00 4.34 4.11 -2.00 -3.27 114.58 117.18 2k1n h GLU 12 Ca -0.46 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.80 2k1n h GLU 12 Cb 1.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2k1n h GLU 12 CO 0.50 0.27 -1.19 1.28 0.07 0.00 0.00 179.01 179.95 2k1n n LEU 13 N -3.98 1.86 0.00 3.06 7.99 -1.26 -5.00 117.00 119.67 2k1n n LEU 13 Ca -0.02 0.47 0.00 0.00 -0.01 0.00 0.00 56.01 56.45 2k1n n LEU 13 Cb 0.34 -0.90 0.00 0.00 -0.11 0.00 0.00 43.42 42.76 2k1n n LEU 13 CO 0.36 0.04 0.00 0.61 -1.51 0.00 0.00 177.39 176.89 2k1n n GLY 14 N 1.47 -0.05 3.47 -0.72 0.00 -1.23 -5.06 105.19 103.06 2k1n n GLY 14 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 2k1n n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1n n ARG 15 N 0.00 2.26 -1.87 1.61 1.74 -1.26 -4.82 116.66 114.31 2k1n n ARG 15 Ca 0.00 -2.71 -0.41 0.00 -0.77 0.00 0.00 57.85 53.96 2k1n n ARG 15 Cb 0.00 -3.53 -0.01 0.00 -1.02 0.00 0.00 32.46 27.90 2k1n n ARG 15 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k1n s VAL 16 N 7.39 2.23 -0.04 1.55 0.11 -1.26 -4.15 120.40 126.23 2k1n s VAL 16 Ca 0.60 0.22 0.07 0.00 -2.93 0.00 0.00 61.98 59.94 2k1n s VAL 16 Cb 0.04 -3.14 -0.02 0.00 -1.53 0.00 0.00 36.38 31.73 2k1n s VAL 16 CO 0.10 0.05 -0.25 -0.69 -3.33 0.00 0.00 175.10 170.98 2k1n s VAL 17 N -0.74 2.14 -0.41 2.04 1.01 -1.26 -5.00 120.40 118.19 2k1n s VAL 17 Ca 0.55 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 2k1n s VAL 17 Cb -0.45 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.18 2k1n s VAL 17 CO 0.56 0.58 0.34 -0.63 0.00 0.00 0.00 175.10 175.95 2k1n s ILE 18 N -0.42 5.20 0.56 2.22 1.01 -1.26 -4.91 121.20 123.60 2k1n s ILE 18 Ca 0.04 -0.50 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 2k1n s ILE 18 Cb -0.12 -3.95 -0.15 0.00 0.01 0.00 0.00 42.46 38.26 2k1n s ILE 18 CO 0.01 -0.32 -0.19 -2.65 0.00 0.00 0.00 174.94 171.80 2k1n n PRO 19 N 5.31 0.01 -0.05 2.79 -0.02 -1.26 -4.43 135.00 137.35 2k1n n PRO 19 Ca -0.10 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.29 2k1n n PRO 19 Cb 0.47 -1.02 -0.07 0.00 -0.02 0.00 0.00 33.50 32.87 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 -0.12 0.00 -0.88 4.25 2.04 -1.99 0.60 117.51 121.41 2k1n h ILE 20 Ca -0.41 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.48 2k1n h ILE 20 Cb 1.43 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 2k1n h ILE 20 CO 0.40 0.00 0.57 -0.08 0.00 0.00 0.00 178.15 179.04 2k1n h GLU 21 N -0.34 1.08 -0.04 2.37 4.57 -1.99 -2.01 114.58 118.22 2k1n h GLU 21 Ca 0.04 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2k1n h GLU 21 Cb 0.44 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2k1n h GLU 21 CO -0.35 0.71 -0.06 1.25 -1.18 0.00 0.00 179.01 179.38 2k1n h LEU 22 N 1.11 -0.18 -1.25 1.64 6.46 -1.67 0.10 115.31 121.52 2k1n h LEU 22 Ca 0.35 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 58.09 2k1n h LEU 22 Cb 0.00 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 2k1n h LEU 22 CO -0.12 -0.08 -0.07 0.03 -0.62 0.00 0.00 178.44 177.58 2k1n h ARG 23 N -0.08 0.43 -0.04 1.25 2.47 -0.59 -0.16 114.38 117.66 2k1n h ARG 23 Ca 0.04 -0.10 -0.14 0.00 -1.26 0.00 0.00 59.98 58.52 2k1n h ARG 23 Cb 0.14 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2k1n h ARG 23 CO -0.09 0.51 -0.61 0.00 0.56 0.00 0.00 179.97 180.34 2k1n h ARG 24 N 0.40 0.14 0.00 0.04 3.08 -0.84 -2.46 114.38 114.75 2k1n h ARG 24 Ca 0.08 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 2k1n h ARG 24 Cb 0.38 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2k1n h ARG 24 CO 0.02 0.71 -0.45 1.15 -1.07 0.00 0.00 179.97 180.33 2k1n h THR 25 N 0.11 0.86 -0.14 2.04 2.02 -0.09 -3.21 112.91 114.49 2k1n h THR 25 Ca -0.01 -1.92 -0.13 0.00 0.77 0.00 0.00 66.41 65.12 2k1n h THR 25 Cb 1.10 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 2k1n h THR 25 CO 0.09 0.44 -0.41 -0.07 0.37 0.00 0.00 175.52 175.93 2k1n h LEU 26 N 0.00 0.61 -2.46 2.58 3.38 -0.80 -3.49 115.31 115.14 2k1n h LEU 26 Ca -0.00 -0.59 -0.13 0.00 0.09 0.00 0.00 57.88 57.24 2k1n h LEU 26 Cb 1.18 -0.18 0.09 0.00 0.09 0.00 0.00 40.66 41.84 2k1n h LEU 26 CO 0.06 1.10 -0.43 0.61 0.09 0.00 0.00 178.44 179.87 2k1n n GLY 27 N 0.54 -1.20 0.00 0.83 0.00 -0.95 -5.05 105.19 99.36 2k1n n GLY 27 Ca -0.07 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2k1n n GLY 27 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k1n n ILE 28 N -2.50 0.00 -2.98 -0.61 -5.35 -1.26 -5.11 119.36 101.55 2k1n n ILE 28 Ca -0.04 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.04 2k1n n ILE 28 Cb 0.56 -0.28 -0.06 0.00 -1.74 0.00 0.00 39.64 38.12 2k1n n ILE 28 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k1n s ALA 29 N -2.00 3.43 -0.11 -1.28 0.00 -1.26 -4.94 121.76 115.60 2k1n s ALA 29 Ca 0.00 0.34 0.30 0.00 0.00 0.00 0.00 51.96 52.60 2k1n s ALA 29 Cb 0.00 -2.97 1.02 0.00 0.00 0.00 0.00 23.12 21.17 2k1n s ALA 29 CO 0.00 0.22 1.85 0.93 0.00 0.00 0.00 175.76 178.77 2k1n h GLU 30 N 4.74 0.00 -0.66 0.00 4.39 -2.02 -2.86 114.58 118.16 2k1n h GLU 30 Ca -0.46 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 58.95 2k1n h GLU 30 Cb 1.21 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.68 2k1n h GLU 30 CO 0.67 0.00 0.27 1.63 -1.16 0.00 0.00 179.01 180.42 2k1n n LYS 31 N -3.05 2.49 -1.74 2.33 5.02 -1.26 -5.00 118.16 116.96 2k1n n LYS 31 Ca 0.02 -3.07 -0.30 0.00 -2.02 0.00 0.00 58.31 52.93 2k1n n LYS 31 Cb 0.38 -2.04 0.21 0.00 -0.02 0.00 0.00 35.03 33.56 2k1n n LYS 31 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k1n s ASP 32 N -1.72 2.45 -0.08 4.39 1.01 -1.08 -5.10 116.67 116.54 2k1n s ASP 32 Ca 0.51 0.30 -0.20 0.00 0.71 0.00 0.00 52.55 53.86 2k1n s ASP 32 Cb 0.43 -0.34 0.04 0.00 1.01 0.00 0.00 42.92 44.07 2k1n s ASP 32 CO 0.08 -3.15 0.48 0.00 0.21 0.00 0.00 175.17 172.79 2k1n s ALA 33 N -3.71 -1.21 0.20 5.23 0.00 -1.26 -5.10 121.76 115.90 2k1n s ALA 33 Ca 0.74 0.94 0.11 0.00 0.00 0.00 0.00 51.96 53.76 2k1n s ALA 33 Cb -0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2k1n s ALA 33 CO 0.54 -0.29 -0.20 -0.51 0.00 0.00 0.00 175.76 175.30 2k1n s LEU 34 N -0.81 2.58 -0.34 0.00 1.43 -1.26 -3.05 118.68 117.22 2k1n s LEU 34 Ca -0.09 -0.81 -0.07 0.00 -1.03 0.00 0.00 54.13 52.14 2k1n s LEU 34 Cb -0.03 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.94 2k1n s LEU 34 CO 0.05 0.11 0.12 -0.70 0.23 0.00 0.00 176.35 176.16 2k1n s GLU 35 N -2.77 2.62 -0.27 1.70 2.12 0.14 -4.85 118.70 117.39 2k1n s GLU 35 Ca 0.22 -1.20 -0.25 0.00 0.36 0.00 0.00 54.97 54.11 2k1n s GLU 35 Cb -0.08 -3.49 -0.00 0.00 0.26 0.00 0.00 34.13 30.82 2k1n s GLU 35 CO 0.11 -0.68 0.84 0.42 -0.54 0.00 0.00 175.26 175.41 2k1n s ILE 36 N 1.41 4.79 0.21 -3.70 1.01 -1.26 -0.63 121.20 123.03 2k1n s ILE 36 Ca -0.01 1.44 0.02 0.00 0.00 0.00 0.00 60.65 62.11 2k1n s ILE 36 Cb -0.20 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 2k1n s ILE 36 CO 0.03 -0.18 0.02 -0.47 0.00 0.00 0.00 174.94 174.34 2k1n s TYR 37 N 2.96 1.43 0.02 3.97 5.04 -0.00 -5.01 117.35 125.75 2k1n s TYR 37 Ca 0.35 -1.01 0.07 0.00 -2.44 0.00 0.00 57.07 54.04 2k1n s TYR 37 Cb -0.15 -0.83 -0.02 0.00 0.35 0.00 0.00 41.96 41.32 2k1n s TYR 37 CO 0.10 -0.16 -0.22 0.54 -1.34 0.00 0.00 175.55 174.47 2k1n s VAL 38 N -3.57 1.72 -0.22 3.14 0.11 -1.26 0.04 120.40 120.36 2k1n s VAL 38 Ca 0.28 -1.11 -0.03 0.00 -2.93 0.00 0.00 61.98 58.19 2k1n s VAL 38 Cb 0.06 -1.47 0.07 0.00 -1.53 0.00 0.00 36.38 33.51 2k1n s VAL 38 CO 0.08 0.32 0.07 -0.62 -3.33 0.00 0.00 175.10 171.62 2k1n s ASP 39 N -0.94 2.97 0.04 3.54 -1.08 0.07 -4.89 116.67 116.38 2k1n s ASP 39 Ca 0.08 -0.93 0.00 0.00 -0.52 0.00 0.00 52.55 51.18 2k1n s ASP 39 Cb -0.09 -0.48 0.00 0.00 -1.46 0.00 0.00 42.92 40.89 2k1n s ASP 39 CO 0.01 -0.35 0.00 -0.67 0.52 0.00 0.00 175.17 174.67 2k1n n ASP 40 N 5.13 0.00 -0.13 -0.34 2.03 -1.26 -1.01 116.55 120.97 2k1n n ASP 40 Ca -0.07 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.26 2k1n n ASP 40 Cb 0.46 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.89 2k1n n ASP 40 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k1n n GLU 41 N 0.00 1.13 -4.33 -0.67 1.02 -1.26 -5.07 120.64 111.45 2k1n n GLU 41 Ca 0.00 -1.37 -0.18 0.00 -0.02 0.00 0.00 57.16 55.59 2k1n n GLU 41 Cb 0.00 -0.87 -0.10 0.00 -0.02 0.00 0.00 31.44 30.45 2k1n n GLU 41 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2k1n s LYS 42 N -0.94 1.29 -0.17 3.49 -2.85 -0.18 -5.13 119.74 115.25 2k1n s LYS 42 Ca 0.07 -1.56 -0.12 0.00 -1.00 0.00 0.00 55.97 53.36 2k1n s LYS 42 Cb 0.06 -1.06 -0.05 0.00 -2.06 0.00 0.00 37.83 34.73 2k1n s LYS 42 CO 0.01 0.17 0.23 0.42 0.10 0.00 0.00 175.35 176.28 2k1n s ILE 43 N -2.99 5.35 -0.40 3.79 1.01 -1.26 -0.75 121.20 125.94 2k1n s ILE 43 Ca 0.21 0.41 -0.08 0.00 0.00 0.00 0.00 60.65 61.19 2k1n s ILE 43 Cb -0.00 -3.56 0.08 0.00 0.01 0.00 0.00 42.46 38.98 2k1n s ILE 43 CO 0.06 0.43 0.22 -0.63 0.00 0.00 0.00 174.94 175.03 2k1n s ILE 44 N 0.26 4.01 -0.81 2.92 -1.09 0.11 -4.93 121.20 121.66 2k1n s ILE 44 Ca 0.14 -1.45 -0.16 0.00 -2.23 0.00 0.00 60.65 56.95 2k1n s ILE 44 Cb -0.12 -3.46 0.18 0.00 -1.58 0.00 0.00 42.46 37.47 2k1n s ILE 44 CO 0.02 -0.48 0.84 -0.76 -1.23 0.00 0.00 174.94 173.33 2k1n s LEU 45 N 1.38 6.13 0.00 2.97 1.02 -1.26 -0.82 118.68 128.10 2k1n s LEU 45 Ca 0.03 -2.33 -0.06 0.00 0.02 0.00 0.00 54.13 51.79 2k1n s LEU 45 Cb -0.22 -2.27 0.17 0.00 0.02 0.00 0.00 46.19 43.88 2k1n s LEU 45 CO 0.01 -0.78 1.07 0.29 0.02 0.00 0.00 176.35 176.97 2k1n n LYS 46 N 4.98 -0.53 -4.24 1.70 5.02 0.20 -4.83 118.16 120.46 2k1n n LYS 46 Ca 0.12 -2.33 -0.17 0.00 -2.02 0.00 0.00 58.31 53.91 2k1n n LYS 46 Cb 0.47 -0.89 -0.13 0.00 -0.02 0.00 0.00 35.03 34.45 2k1n n LYS 46 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2k1n s LYS 47 N -5.28 0.72 1.21 1.97 -2.85 -1.26 0.25 119.74 114.50 2k1n s LYS 47 Ca 0.66 -0.62 -0.20 0.00 -1.00 0.00 0.00 55.97 54.81 2k1n s LYS 47 Cb -0.03 -0.66 0.30 0.00 -2.06 0.00 0.00 37.83 35.38 2k1n s LYS 47 CO 0.45 0.16 1.14 1.52 0.10 0.00 0.00 175.35 178.72 2k1n s TYR 48 N -0.81 0.30 -0.61 1.78 1.13 -1.17 -4.81 117.35 113.16 2k1n s TYR 48 Ca -0.01 0.38 -0.13 0.00 -1.41 0.00 0.00 57.07 55.89 2k1n s TYR 48 Cb -0.07 -3.58 0.16 0.00 -1.10 0.00 0.00 41.96 37.36 2k1n s TYR 48 CO 0.01 -3.92 0.54 -1.59 -2.51 0.00 0.00 175.55 168.08 2k1n s LYS 49 N -5.56 3.02 0.25 -3.49 -2.85 -1.26 -4.94 119.74 104.91 2k1n s LYS 49 Ca 0.73 -1.99 -0.03 0.00 -1.00 0.00 0.00 55.97 53.68 2k1n s LYS 49 Cb -0.07 -4.22 0.47 0.00 -2.06 0.00 0.00 37.83 31.96 2k1n s LYS 49 CO 0.55 -1.28 1.78 -1.00 0.10 0.00 0.00 175.35 175.50 2k1n h PRO 50 N 8.35 0.65 -5.12 1.78 0.13 -1.97 -3.45 132.00 132.37 2k1n h PRO 50 Ca -0.15 -0.04 -0.41 0.00 -0.87 0.00 0.00 66.00 64.54 2k1n h PRO 50 Cb 1.07 -0.15 0.02 0.00 0.13 0.00 0.00 31.00 32.07 2k1n h PRO 50 CO 0.90 0.43 -0.62 0.09 -0.23 0.00 0.00 178.00 178.57 2k1n n ASN 51 N -4.83 -5.41 -4.78 1.44 5.03 -1.26 -4.95 115.26 100.51 2k1n n ASN 51 Ca 0.15 -0.40 -0.39 0.00 0.87 0.00 0.00 54.58 54.81 2k1n n ASN 51 Cb 0.37 -4.36 -0.06 0.00 -1.02 0.00 0.00 39.78 34.71 2k1n n ASN 51 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2k1n s MET 52 N -5.97 4.27 0.71 3.52 -1.94 -1.26 -5.07 119.30 113.55 2k1n s MET 52 Ca 0.41 0.72 -0.11 0.00 -1.71 0.00 0.00 55.69 54.99 2k1n s MET 52 Cb -0.19 -3.31 0.02 0.00 2.01 0.00 0.00 34.83 33.36 2k1n s MET 52 CO 0.51 0.46 1.09 0.95 -0.01 0.00 0.00 175.02 178.02 2k1n s THR 53 N -0.51 3.53 -0.53 2.05 -4.23 -1.26 -4.95 115.64 109.75 2k1n s THR 53 Ca 0.30 0.50 -0.27 0.00 -1.18 0.00 0.00 61.69 61.04 2k1n s THR 53 Cb -0.18 -3.45 -0.02 0.00 1.34 0.00 0.00 72.50 70.19 2k1n s THR 53 CO 0.17 -0.65 1.80 0.00 -0.54 0.00 0.00 174.62 175.41