#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1n n LYS 2 N 0.00 0.03 -1.97 2.12 2.85 -1.26 -4.85 118.16 115.08 2k1n n LYS 2 Ca 0.00 -0.02 -0.43 0.00 -1.05 0.00 0.00 58.31 56.81 2k1n n LYS 2 Cb 0.00 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.85 2k1n n LYS 2 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2k1n s SER 3 N -2.98 5.97 -0.14 -5.58 0.01 -1.26 -4.84 113.70 104.88 2k1n s SER 3 Ca 0.11 1.47 0.03 0.00 1.31 0.00 0.00 55.95 58.86 2k1n s SER 3 Cb 0.17 -2.53 -0.23 0.00 0.21 0.00 0.00 66.02 63.64 2k1n s SER 3 CO 0.73 -1.62 0.28 0.41 0.41 0.00 0.00 173.24 173.45 2k1n n THR 4 N 7.20 1.63 -3.45 1.44 -1.04 -1.26 -4.78 114.28 114.02 2k1n n THR 4 Ca 0.23 -0.70 -0.43 0.00 -2.04 0.00 0.00 64.05 61.11 2k1n n THR 4 Cb 0.46 -1.34 -0.09 0.00 -1.82 0.00 0.00 70.33 67.54 2k1n n THR 4 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k1n s GLY 5 N -5.66 2.02 -0.33 3.41 0.00 -1.26 -5.04 107.32 100.46 2k1n s GLY 5 Ca -0.19 -2.06 -0.09 0.00 0.00 0.00 0.00 44.72 42.38 2k1n s GLY 5 CO 0.75 1.01 0.14 -0.42 0.00 0.00 0.00 173.10 174.59 2k1n s ILE 6 N 1.60 4.32 -0.08 0.90 1.01 -1.26 -5.07 121.20 122.61 2k1n s ILE 6 Ca 0.04 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 59.74 2k1n s ILE 6 Cb -0.23 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 2k1n s ILE 6 CO 0.06 -0.06 0.64 0.54 0.00 0.00 0.00 174.94 176.13 2k1n s VAL 7 N 1.54 5.08 -0.03 2.92 0.11 -1.26 -5.06 120.40 123.70 2k1n s VAL 7 Ca 0.02 1.32 0.01 0.00 -2.93 0.00 0.00 61.98 60.40 2k1n s VAL 7 Cb -0.18 -3.98 0.02 0.00 -1.53 0.00 0.00 36.38 30.71 2k1n s VAL 7 CO 0.05 0.27 -0.01 -0.60 -3.33 0.00 0.00 175.10 171.47 2k1n s ARG 8 N 0.78 0.41 0.23 1.54 6.06 -1.26 -5.13 118.95 121.59 2k1n s ARG 8 Ca 0.34 0.01 -0.30 0.00 -2.50 0.00 0.00 55.73 53.28 2k1n s ARG 8 Cb -0.17 -0.52 -0.10 0.00 0.06 0.00 0.00 34.95 34.22 2k1n s ARG 8 CO 0.16 -0.09 1.43 0.21 -2.50 0.00 0.00 175.30 174.51 2k1n s LYS 9 N 0.82 4.28 0.35 5.12 2.20 -1.26 -5.02 119.74 126.23 2k1n s LYS 9 Ca -0.09 2.27 -0.02 0.00 -0.36 0.00 0.00 55.97 57.76 2k1n s LYS 9 Cb -0.12 -3.13 0.07 0.00 -1.51 0.00 0.00 37.83 33.14 2k1n s LYS 9 CO -0.01 -0.41 0.47 1.33 -0.36 0.00 0.00 175.35 176.37 2k1n n VAL 10 N 2.54 0.00 -2.92 4.02 0.24 -1.26 -5.09 118.33 115.86 2k1n n VAL 10 Ca 0.07 -0.59 -0.19 0.00 -2.04 0.00 0.00 64.34 61.60 2k1n n VAL 10 Cb 0.40 -1.38 0.03 0.00 -1.47 0.00 0.00 33.84 31.43 2k1n n VAL 10 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2k1n s ASP 11 N -2.85 5.41 0.00 -1.34 -4.77 -1.26 -4.97 116.67 106.89 2k1n s ASP 11 Ca 0.30 -0.42 0.00 0.00 -3.30 0.00 0.00 52.55 49.13 2k1n s ASP 11 Cb -0.01 -0.49 0.00 0.00 -1.09 0.00 0.00 42.92 41.33 2k1n s ASP 11 CO 0.20 -1.00 0.64 -1.84 0.70 0.00 0.00 175.17 173.86 2k1n n GLU 12 N -2.07 0.94 0.00 2.11 0.00 -1.26 -3.26 120.64 117.09 2k1n n GLU 12 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.26 2k1n n GLU 12 Cb 0.60 -1.31 0.00 0.00 0.00 0.00 0.00 31.44 30.73 2k1n n GLU 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2k1n n LEU 13 N 0.21 1.56 0.00 -1.84 4.32 -1.26 -5.07 117.00 114.92 2k1n n LEU 13 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2k1n n LEU 13 Cb 0.32 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 2k1n n LEU 13 CO 0.00 0.26 0.00 0.61 -1.22 0.00 0.00 177.39 177.04 2k1n n GLY 14 N 2.74 0.94 3.33 -0.72 0.00 -1.20 -5.15 105.19 105.13 2k1n n GLY 14 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2k1n n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k1n s ARG 15 N 0.11 1.26 0.08 1.61 1.70 -1.26 -5.02 118.95 117.43 2k1n s ARG 15 Ca 0.00 -1.34 0.01 0.00 -0.47 0.00 0.00 55.73 53.93 2k1n s ARG 15 Cb 0.00 -1.44 -0.04 0.00 -0.57 0.00 0.00 34.95 32.90 2k1n s ARG 15 CO 0.00 0.31 -0.06 0.54 -1.08 0.00 0.00 175.30 175.01 2k1n s VAL 16 N -1.66 0.55 -0.02 4.99 0.11 -1.26 -4.00 120.40 119.11 2k1n s VAL 16 Ca 0.13 -1.74 -0.02 0.00 -2.93 0.00 0.00 61.98 57.42 2k1n s VAL 16 Cb -0.08 -1.44 0.01 0.00 -1.53 0.00 0.00 36.38 33.35 2k1n s VAL 16 CO 0.06 -0.81 0.06 -0.69 -3.33 0.00 0.00 175.10 170.39 2k1n s VAL 17 N -3.27 -0.01 -0.02 2.04 1.01 -1.26 -5.16 120.40 113.73 2k1n s VAL 17 Ca 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 2k1n s VAL 17 Cb 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 2k1n s VAL 17 CO -0.05 0.02 0.17 0.27 0.00 0.00 0.00 175.10 175.51 2k1n s ILE 18 N 0.23 5.40 0.21 2.22 -4.36 -1.26 -5.06 121.20 118.57 2k1n s ILE 18 Ca -0.02 -0.13 -0.32 0.00 -0.26 0.00 0.00 60.65 59.92 2k1n s ILE 18 Cb -0.03 -3.50 -0.14 0.00 1.25 0.00 0.00 42.46 40.05 2k1n s ILE 18 CO -0.01 0.36 1.49 -2.65 0.24 0.00 0.00 174.94 174.37 2k1n n PRO 19 N 1.09 2.10 0.11 0.37 -0.02 -1.26 -4.89 135.00 132.50 2k1n n PRO 19 Ca -0.12 0.75 -0.02 0.00 -2.02 0.00 0.00 63.50 62.09 2k1n n PRO 19 Cb 0.53 -2.46 0.07 0.00 -0.02 0.00 0.00 33.50 31.62 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 3.30 1.42 -0.45 4.25 2.10 -1.99 -2.81 117.51 123.33 2k1n h ILE 20 Ca -0.45 -2.55 -0.05 0.00 1.08 0.00 0.00 64.86 62.89 2k1n h ILE 20 Cb 1.27 2.41 -0.02 0.00 -1.09 0.00 0.00 36.82 39.38 2k1n h ILE 20 CO 0.81 0.71 0.06 -0.33 -1.08 0.00 0.00 178.15 178.32 2k1n h GLU 21 N 0.00 0.70 -0.43 2.19 3.07 -1.99 -0.46 114.58 117.67 2k1n h GLU 21 Ca -0.01 -0.15 -0.12 0.00 -0.50 0.00 0.00 59.36 58.58 2k1n h GLU 21 Cb 1.35 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 2k1n h GLU 21 CO 0.09 0.68 -0.19 1.25 -1.40 0.00 0.00 179.01 179.44 2k1n h LEU 22 N 0.67 0.91 -0.62 1.33 5.85 -1.91 -2.13 115.31 119.41 2k1n h LEU 22 Ca 0.14 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.47 2k1n h LEU 22 Cb 0.33 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2k1n h LEU 22 CO 0.01 1.11 0.41 0.03 -0.34 0.00 0.00 178.44 179.65 2k1n h ARG 23 N 0.71 0.81 0.00 1.25 3.08 -1.12 0.16 114.38 119.29 2k1n h ARG 23 Ca 0.10 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2k1n h ARG 23 Cb 0.76 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 2k1n h ARG 23 CO 0.06 0.54 -0.12 0.00 -1.07 0.00 0.00 179.97 179.38 2k1n h ARG 24 N 0.84 0.00 0.00 0.04 3.08 -0.96 -2.27 114.38 115.10 2k1n h ARG 24 Ca 0.23 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.04 2k1n h ARG 24 Cb -0.09 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 2k1n h ARG 24 CO -0.05 0.12 -1.46 1.15 -1.07 0.00 0.00 179.97 178.65 2k1n h THR 25 N 0.00 0.90 0.00 2.04 2.02 -0.57 -3.30 112.91 114.00 2k1n h THR 25 Ca -0.00 -2.63 0.00 0.00 0.77 0.00 0.00 66.41 64.55 2k1n h THR 25 Cb 0.47 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2k1n h THR 25 CO 0.02 0.51 0.00 -0.07 0.37 0.00 0.00 175.52 176.35 2k1n h LEU 26 N 0.00 0.00 -0.33 2.58 4.07 -0.25 -3.47 115.31 117.91 2k1n h LEU 26 Ca -0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.76 2k1n h LEU 26 Cb 1.84 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.58 2k1n h LEU 26 CO 0.08 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.05 2k1n n GLY 27 N 0.59 0.74 3.61 0.83 0.00 -0.90 -5.05 105.19 105.01 2k1n n GLY 27 Ca 0.03 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.33 2.12 0.41 -0.61 -4.36 -1.00 -4.72 121.20 110.72 2k1n s ILE 28 Ca 0.00 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.38 2k1n s ILE 28 Cb 0.00 -2.90 -0.00 0.00 1.25 0.00 0.00 42.46 40.80 2k1n s ILE 28 CO 0.00 -0.06 0.04 0.00 0.24 0.00 0.00 174.94 175.16 2k1n n ALA 29 N -0.95 0.42 0.05 2.27 0.00 -1.26 -4.52 120.51 116.51 2k1n n ALA 29 Ca -0.05 -1.92 -0.08 0.00 0.00 0.00 0.00 53.44 51.40 2k1n n ALA 29 Cb 0.66 1.12 0.10 0.00 0.00 0.00 0.00 19.45 21.33 2k1n n ALA 29 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k1n n GLU 30 N -1.00 1.77 -1.46 0.00 -0.00 -1.26 -3.76 120.64 114.94 2k1n n GLU 30 Ca -0.14 -1.34 0.00 0.00 -0.00 0.00 0.00 57.16 55.68 2k1n n GLU 30 Cb 0.55 -1.58 0.09 0.00 -0.00 0.00 0.00 31.44 30.50 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 -0.13 1.32 -2.51 3.44 4.76 -1.26 -5.07 118.16 118.71 2k1n n LYS 31 Ca 0.24 -2.99 -0.18 0.00 -2.87 0.00 0.00 58.31 52.51 2k1n n LYS 31 Cb 0.95 -1.13 0.08 0.00 -1.84 0.00 0.00 35.03 33.10 2k1n n LYS 31 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2k1n n ASP 32 N -0.40 1.51 -4.01 4.39 -0.08 -1.25 -5.09 116.55 111.63 2k1n n ASP 32 Ca 0.16 -2.16 -0.31 0.00 -1.51 0.00 0.00 54.79 50.97 2k1n n ASP 32 Cb 0.91 -0.46 -0.15 0.00 2.34 0.00 0.00 41.12 43.76 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 -2.85 2.56 -0.42 -1.67 0.00 -1.26 -5.08 121.76 113.04 2k1n s ALA 33 Ca 0.55 -2.05 -0.22 0.00 0.00 0.00 0.00 51.96 50.24 2k1n s ALA 33 Cb -0.04 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.36 2k1n s ALA 33 CO 0.35 -1.45 0.69 -0.51 0.00 0.00 0.00 175.76 174.85 2k1n s LEU 34 N 1.09 4.36 -0.72 0.00 1.43 -1.26 -4.26 118.68 119.31 2k1n s LEU 34 Ca 0.02 -0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 2k1n s LEU 34 Cb -0.19 -2.83 0.09 0.00 0.03 0.00 0.00 46.19 43.29 2k1n s LEU 34 CO -0.08 -0.78 0.97 -1.61 0.23 0.00 0.00 176.35 175.08 2k1n s GLU 35 N 2.96 3.23 -0.94 1.70 2.02 0.14 -4.95 118.70 122.86 2k1n s GLU 35 Ca 0.26 -1.14 -0.24 0.00 0.02 0.00 0.00 54.97 53.87 2k1n s GLU 35 Cb -0.13 -4.41 0.02 0.00 0.10 0.00 0.00 34.13 29.70 2k1n s GLU 35 CO 0.19 -1.77 1.57 0.42 0.02 0.00 0.00 175.26 175.69 2k1n s ILE 36 N 3.53 3.76 -0.24 -1.63 1.01 -1.26 -2.18 121.20 124.18 2k1n s ILE 36 Ca 0.23 -0.49 -0.24 0.00 0.00 0.00 0.00 60.65 60.15 2k1n s ILE 36 Cb -0.15 -4.74 -0.01 0.00 0.01 0.00 0.00 42.46 37.58 2k1n s ILE 36 CO 0.04 -1.64 0.82 -0.47 0.00 0.00 0.00 174.94 173.69 2k1n s TYR 37 N 6.49 3.32 -0.51 3.97 5.04 -0.43 -4.92 117.35 130.31 2k1n s TYR 37 Ca 0.52 1.13 -0.04 0.00 -2.44 0.00 0.00 57.07 56.23 2k1n s TYR 37 Cb -0.03 -3.04 0.13 0.00 0.35 0.00 0.00 41.96 39.38 2k1n s TYR 37 CO -0.04 -0.38 0.33 0.08 -1.34 0.00 0.00 175.55 174.20 2k1n s VAL 38 N 2.77 3.67 0.04 3.14 1.01 -1.26 0.28 120.40 130.04 2k1n s VAL 38 Ca 0.35 -2.35 -0.02 0.00 0.00 0.00 0.00 61.98 59.96 2k1n s VAL 38 Cb -0.15 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2k1n s VAL 38 CO 0.08 -0.78 0.01 1.51 0.00 0.00 0.00 175.10 175.92 2k1n s ASP 39 N 1.57 0.32 0.07 3.32 -4.77 -1.07 -5.02 116.67 111.09 2k1n s ASP 39 Ca 0.11 -0.73 0.00 0.00 -3.30 0.00 0.00 52.55 48.63 2k1n s ASP 39 Cb -0.22 0.19 0.00 0.00 -1.09 0.00 0.00 42.92 41.80 2k1n s ASP 39 CO -0.03 -0.50 0.00 0.47 0.70 0.00 0.00 175.17 175.80 2k1n n ASP 40 N 0.68 0.00 -0.81 2.11 9.92 -1.26 -1.85 116.55 125.34 2k1n n ASP 40 Ca -0.18 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.06 2k1n n ASP 40 Cb 0.59 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.04 2k1n n ASP 40 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2k1n n GLU 41 N 0.00 0.00 -3.82 -1.24 0.28 -1.26 -5.13 120.64 109.47 2k1n n GLU 41 Ca 0.00 -0.71 -0.10 0.00 -0.16 0.00 0.00 57.16 56.19 2k1n n GLU 41 Cb 0.00 0.15 -0.06 0.00 1.43 0.00 0.00 31.44 32.96 2k1n n GLU 41 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2k1n s LYS 42 N 0.00 1.17 -0.31 3.44 0.00 -0.77 -5.14 119.74 118.12 2k1n s LYS 42 Ca 0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 55.97 54.99 2k1n s LYS 42 Cb 0.04 0.43 0.03 0.00 0.00 0.00 0.00 37.83 38.33 2k1n s LYS 42 CO -0.02 -0.45 0.07 0.42 0.00 0.00 0.00 175.35 175.37 2k1n s ILE 43 N -3.89 3.65 -0.71 3.79 1.01 -1.26 -2.61 121.20 121.17 2k1n s ILE 43 Ca 0.10 -1.02 -0.22 0.00 0.00 0.00 0.00 60.65 59.51 2k1n s ILE 43 Cb 0.02 -3.00 0.08 0.00 0.01 0.00 0.00 42.46 39.57 2k1n s ILE 43 CO -0.05 -0.06 1.00 -0.63 0.00 0.00 0.00 174.94 175.20 2k1n s ILE 44 N 1.41 4.39 -1.10 2.92 1.01 0.14 -4.88 121.20 125.09 2k1n s ILE 44 Ca -0.01 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 59.87 2k1n s ILE 44 Cb -0.19 -4.70 0.10 0.00 0.01 0.00 0.00 42.46 37.68 2k1n s ILE 44 CO 0.02 -1.47 1.44 -0.22 0.00 0.00 0.00 174.94 174.70 2k1n s LEU 45 N 3.83 4.25 0.37 2.97 2.96 -1.26 -1.31 118.68 130.49 2k1n s LEU 45 Ca 0.24 -2.13 0.07 0.00 -0.22 0.00 0.00 54.13 52.09 2k1n s LEU 45 Cb -0.15 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 2k1n s LEU 45 CO 0.06 -1.17 0.42 -1.59 -1.32 0.00 0.00 176.35 172.75 2k1n s LYS 46 N 3.60 2.83 0.29 1.98 -2.85 -0.93 -4.89 119.74 119.77 2k1n s LYS 46 Ca 0.44 -1.25 -0.19 0.00 -1.00 0.00 0.00 55.97 53.97 2k1n s LYS 46 Cb -0.01 -2.62 0.06 0.00 -2.06 0.00 0.00 37.83 33.21 2k1n s LYS 46 CO -0.04 -0.04 0.89 -1.59 0.10 0.00 0.00 175.35 174.67 2k1n s LYS 47 N -4.15 1.78 0.65 1.78 -2.85 -1.26 0.27 119.74 115.96 2k1n s LYS 47 Ca 0.46 -1.12 0.02 0.00 -1.00 0.00 0.00 55.97 54.32 2k1n s LYS 47 Cb -0.07 0.51 0.10 0.00 -2.06 0.00 0.00 37.83 36.31 2k1n s LYS 47 CO 0.29 -0.83 0.90 1.52 0.10 0.00 0.00 175.35 177.33 2k1n s TYR 48 N -2.46 1.88 -0.40 1.78 1.13 -1.26 -5.04 117.35 112.98 2k1n s TYR 48 Ca 0.17 -0.30 -0.15 0.00 -1.41 0.00 0.00 57.07 55.39 2k1n s TYR 48 Cb -0.04 -2.79 0.01 0.00 -1.10 0.00 0.00 41.96 38.04 2k1n s TYR 48 CO 0.08 -1.39 0.32 0.15 -2.51 0.00 0.00 175.55 172.20 2k1n s LYS 49 N -4.95 3.13 0.00 -3.49 1.02 -1.26 -4.92 119.74 109.26 2k1n s LYS 49 Ca 0.63 -0.87 0.28 0.00 0.02 0.00 0.00 55.97 56.04 2k1n s LYS 49 Cb -0.07 -3.94 1.06 0.00 -0.52 0.00 0.00 37.83 34.36 2k1n s LYS 49 CO 0.42 -0.70 1.78 -0.35 -0.92 0.00 0.00 175.35 175.58 2k1n n PRO 50 N 5.24 0.21 -3.60 -1.68 -0.04 -1.26 -4.77 135.00 129.10 2k1n n PRO 50 Ca -0.10 -0.06 -0.36 0.00 -0.04 0.00 0.00 63.50 62.93 2k1n n PRO 50 Cb 0.48 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.84 6.26 -0.29 3.54 3.84 -1.26 -5.04 114.94 119.16 2k1n s ASN 51 Ca 0.18 0.29 0.03 0.00 0.21 0.00 0.00 52.86 53.57 2k1n s ASN 51 Cb 0.19 -2.14 0.18 0.00 -0.55 0.00 0.00 41.25 38.93 2k1n s ASN 51 CO 0.56 0.07 0.53 -0.32 -2.79 0.00 0.00 177.10 175.15 2k1n s MET 52 N 0.82 0.51 2.16 0.43 1.75 -1.26 -5.14 119.30 118.57 2k1n s MET 52 Ca 0.12 0.55 0.00 0.00 -1.25 0.00 0.00 55.69 55.10 2k1n s MET 52 Cb -0.13 0.13 0.00 0.00 2.84 0.00 0.00 34.83 37.67 2k1n s MET 52 CO 0.03 -0.93 0.00 0.25 -0.65 0.00 0.00 175.02 173.73 2k1n n THR 53 N 5.40 0.00 -0.35 10.11 -2.24 -1.26 -4.30 114.28 121.64 2k1n n THR 53 Ca 0.02 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.85 2k1n n THR 53 Cb 0.52 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.86 2k1n n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50