#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kyb n LYS 2 N 0.00 -2.42 -4.24 2.12 4.76 -1.26 -4.57 118.16 112.56 2kyb n LYS 2 Ca 0.00 2.10 -0.15 0.00 -2.87 0.00 0.00 58.31 57.39 2kyb n LYS 2 Cb 0.00 -3.54 -0.10 0.00 -1.84 0.00 0.00 35.03 29.55 2kyb n LYS 2 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2kyb s THR 3 N -1.17 1.15 0.14 -0.18 -4.23 -1.26 -2.19 115.64 107.89 2kyb s THR 3 Ca -0.04 -1.95 -0.07 0.00 -1.18 0.00 0.00 61.69 58.45 2kyb s THR 3 Cb 0.00 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 72.10 2kyb s THR 3 CO 0.47 -0.68 0.20 -0.83 -0.54 0.00 0.00 174.62 173.24 2kyb s GLY 4 N -2.96 0.50 -0.15 3.99 0.00 -1.25 -4.97 107.32 102.47 2kyb s GLY 4 Ca 0.14 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 2kyb s GLY 4 CO 0.01 -0.96 -0.06 -0.42 0.00 0.00 0.00 173.10 171.67 2kyb s ILE 5 N -3.96 3.71 0.14 0.90 1.09 -1.26 -4.26 121.20 117.57 2kyb s ILE 5 Ca 0.16 -0.42 -0.30 0.00 -1.10 0.00 0.00 60.65 58.98 2kyb s ILE 5 Cb 0.05 -2.62 -0.07 0.00 -1.06 0.00 0.00 42.46 38.76 2kyb s ILE 5 CO -0.02 0.50 1.19 -0.69 -0.10 0.00 0.00 174.94 175.82 2kyb s VAL 6 N 0.39 3.75 -0.81 2.92 1.01 -1.25 -4.86 120.40 121.54 2kyb s VAL 6 Ca -0.05 1.39 -0.25 0.00 0.00 0.00 0.00 61.98 63.07 2kyb s VAL 6 Cb -0.15 -3.89 -0.18 0.00 0.00 0.00 0.00 36.38 32.17 2kyb s VAL 6 CO 0.03 0.18 2.48 0.59 0.00 0.00 0.00 175.10 178.38 2kyb n ASN 7 N 3.00 0.85 0.00 3.32 5.03 -1.26 -3.17 115.26 123.02 2kyb n ASN 7 Ca 0.06 -0.41 0.02 0.00 0.87 0.00 0.00 54.58 55.12 2kyb n ASN 7 Cb 0.45 -1.17 0.12 0.00 -1.02 0.00 0.00 39.78 38.16 2kyb n ASN 7 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2kyb n VAL 8 N 7.51 1.09 -0.11 2.41 0.31 -1.26 -2.91 118.33 125.37 2kyb n VAL 8 Ca 0.54 0.27 -0.05 0.00 -0.01 0.00 0.00 64.34 65.09 2kyb n VAL 8 Cb 0.27 -1.19 0.01 0.00 -0.91 0.00 0.00 33.84 32.02 2kyb n VAL 8 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2kyb h SER 9 N 0.00 -0.32 -5.29 4.52 0.02 -2.01 -3.45 113.55 107.02 2kyb h SER 9 Ca 0.00 0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 2kyb h SER 9 Cb 0.06 0.22 -0.10 0.00 0.14 0.00 0.00 62.40 62.71 2kyb h SER 9 CO 0.00 -0.11 -0.20 -0.94 -1.14 0.00 0.00 176.83 174.44 2kyb s SER 10 N -5.22 -0.05 0.45 3.07 1.04 -1.15 -5.16 113.70 106.68 2kyb s SER 10 Ca -0.14 -0.97 -0.21 0.00 0.48 0.00 0.00 55.95 55.12 2kyb s SER 10 Cb 0.14 0.54 -0.10 0.00 0.10 0.00 0.00 66.02 66.70 2kyb s SER 10 CO 0.71 -1.07 0.97 -0.94 0.98 0.00 0.00 173.24 173.88 2kyb s SER 11 N -3.03 6.79 0.06 7.02 1.04 -1.26 -4.80 113.70 119.52 2kyb s SER 11 Ca 0.24 1.73 0.09 0.00 0.48 0.00 0.00 55.95 58.49 2kyb s SER 11 Cb 0.01 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 2kyb s SER 11 CO 0.08 -0.47 -0.24 -0.76 0.98 0.00 0.00 173.24 172.83 2kyb s LEU 12 N -3.31 2.31 0.06 2.42 1.02 -1.26 -5.09 118.68 114.83 2kyb s LEU 12 Ca 0.63 -0.57 -0.06 0.00 0.02 0.00 0.00 54.13 54.14 2kyb s LEU 12 Cb -0.11 -1.34 -0.05 0.00 0.02 0.00 0.00 46.19 44.71 2kyb s LEU 12 CO 0.16 0.25 0.32 0.20 0.02 0.00 0.00 176.35 177.29 2kyb s ASN 13 N -1.43 6.51 -0.52 2.29 0.01 -1.26 -2.96 114.94 117.59 2kyb s ASN 13 Ca 0.13 0.59 -0.19 0.00 -0.71 0.00 0.00 52.86 52.68 2kyb s ASN 13 Cb -0.10 -2.10 0.06 0.00 0.41 0.00 0.00 41.25 39.53 2kyb s ASN 13 CO 0.04 0.17 0.62 -0.69 -1.51 0.00 0.00 177.10 175.73 2kyb s VAL 14 N -1.43 4.89 0.14 1.60 1.01 -0.98 -4.79 120.40 120.84 2kyb s VAL 14 Ca 0.33 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2kyb s VAL 14 Cb -0.13 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 31.87 2kyb s VAL 14 CO 0.20 -0.83 0.98 -0.13 0.00 0.00 0.00 175.10 175.31 2kyb s ARG 15 N 2.59 4.71 0.50 2.72 0.52 -0.80 -3.21 118.95 125.98 2kyb s ARG 15 Ca 0.14 1.49 0.22 0.00 -0.52 0.00 0.00 55.73 57.06 2kyb s ARG 15 Cb -0.20 -3.35 1.32 0.00 0.52 0.00 0.00 34.95 33.24 2kyb s ARG 15 CO 0.11 0.24 2.07 1.03 0.02 0.00 0.00 175.30 178.77 2kyb h SER 16 N 5.29 0.00 -3.56 0.23 0.87 -1.83 -3.14 113.55 111.41 2kyb h SER 16 Ca -0.43 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 59.87 2kyb h SER 16 Cb 1.21 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 2kyb h SER 16 CO 0.71 0.12 -0.20 -0.24 -0.53 0.00 0.00 176.83 176.70 2kyb n SER 17 N -3.98 -0.74 -2.99 6.23 2.88 -1.26 -4.85 113.62 108.91 2kyb n SER 17 Ca -0.02 -2.40 -0.32 0.00 -1.33 0.00 0.00 58.87 54.80 2kyb n SER 17 Cb 0.21 1.49 -0.06 0.00 -0.75 0.00 0.00 64.21 65.11 2kyb n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kyb n ALA 18 N -1.42 7.15 -3.55 -1.46 0.00 -1.26 -4.79 120.51 115.18 2kyb n ALA 18 Ca -0.09 -3.18 -0.12 0.00 0.00 0.00 0.00 53.44 50.05 2kyb n ALA 18 Cb 0.41 -2.99 -0.08 0.00 0.00 0.00 0.00 19.45 16.78 2kyb n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kyb s SER 19 N 1.81 -0.67 0.32 0.00 0.15 -1.26 -4.97 113.70 109.07 2kyb s SER 19 Ca 0.67 1.24 0.06 0.00 0.70 0.00 0.00 55.95 58.62 2kyb s SER 19 Cb 0.22 1.23 0.53 0.00 -1.71 0.00 0.00 66.02 66.29 2kyb s SER 19 CO -0.06 -0.21 1.77 0.00 1.20 0.00 0.00 173.24 175.94 2kyb h THR 20 N 4.42 1.26 0.00 6.45 1.03 -2.03 -2.01 112.91 122.02 2kyb h THR 20 Ca -0.29 -1.23 0.00 0.00 -0.01 0.00 0.00 66.41 64.87 2kyb h THR 20 Cb 1.18 1.44 0.00 0.00 -1.07 0.00 0.00 68.15 69.70 2kyb h THR 20 CO 0.14 0.38 0.00 -1.54 -0.01 0.00 0.00 175.52 174.49 2kyb n SER 21 N -4.12 0.00 -3.03 0.00 3.41 -1.26 -4.76 113.62 103.86 2kyb n SER 21 Ca -0.01 -0.05 -0.06 0.00 -0.26 0.00 0.00 58.87 58.49 2kyb n SER 21 Cb 0.40 -0.22 0.06 0.00 -0.26 0.00 0.00 64.21 64.19 2kyb n SER 21 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2kyb n SER 22 N -1.22 -2.40 -4.47 4.04 3.41 -0.76 -5.04 113.62 107.19 2kyb n SER 22 Ca 0.08 -0.20 -0.30 0.00 -0.26 0.00 0.00 58.87 58.19 2kyb n SER 22 Cb 0.10 -0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 63.72 2kyb n SER 22 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2kyb s LYS 23 N -3.43 1.86 -0.34 4.33 3.01 -1.26 -4.95 119.74 118.95 2kyb s LYS 23 Ca 0.14 -1.12 -0.27 0.00 -1.01 0.00 0.00 55.97 53.70 2kyb s LYS 23 Cb -0.02 -2.12 0.02 0.00 -1.01 0.00 0.00 37.83 34.69 2kyb s LYS 23 CO 0.11 0.50 0.99 0.08 0.51 0.00 0.00 175.35 177.55 2kyb s VAL 24 N -1.05 4.55 -0.39 3.17 1.01 -1.26 -2.80 120.40 123.62 2kyb s VAL 24 Ca 0.16 1.46 0.22 0.00 0.00 0.00 0.00 61.98 63.83 2kyb s VAL 24 Cb -0.10 -4.37 -0.20 0.00 0.00 0.00 0.00 36.38 31.71 2kyb s VAL 24 CO 0.08 -0.50 0.81 2.30 0.00 0.00 0.00 175.10 177.79 2kyb n ILE 25 N 5.92 0.15 0.00 2.22 -5.35 -1.20 -5.02 119.36 116.09 2kyb n ILE 25 Ca 0.09 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2kyb n ILE 25 Cb 0.48 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 2kyb n ILE 25 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kyb n GLY 26 N 1.32 0.47 3.34 3.28 0.00 -1.26 -5.09 105.19 107.25 2kyb n GLY 26 Ca -0.00 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 2kyb n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kyb s SER 27 N 0.00 3.47 0.22 1.61 0.01 -1.26 -2.31 113.70 115.44 2kyb s SER 27 Ca 0.00 -0.40 0.05 0.00 1.31 0.00 0.00 55.95 56.90 2kyb s SER 27 Cb 0.00 -0.97 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 2kyb s SER 27 CO 0.00 0.26 0.34 -0.22 0.41 0.00 0.00 173.24 174.03 2kyb s LEU 28 N -0.22 4.32 -0.01 2.44 2.96 -1.15 -5.00 118.68 122.03 2kyb s LEU 28 Ca -0.01 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2kyb s LEU 28 Cb -0.13 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 2kyb s LEU 28 CO 0.03 -0.05 0.15 -0.44 -1.32 0.00 0.00 176.35 174.72 2kyb s SER 29 N -3.83 6.14 0.54 3.68 0.01 -1.26 -4.24 113.70 114.73 2kyb s SER 29 Ca 0.34 0.28 -0.18 0.00 1.31 0.00 0.00 55.95 57.70 2kyb s SER 29 Cb -0.09 -1.88 -0.06 0.00 0.21 0.00 0.00 66.02 64.20 2kyb s SER 29 CO 0.29 0.26 1.06 -0.83 0.41 0.00 0.00 173.24 174.43 2kyb s GLY 30 N -1.88 2.38 -0.22 3.44 0.00 -1.26 -3.30 107.32 106.48 2kyb s GLY 30 Ca 0.26 0.56 0.00 0.00 0.00 0.00 0.00 44.72 45.54 2kyb s GLY 30 CO 0.17 0.88 0.00 -2.01 0.00 0.00 0.00 173.10 172.14 2kyb n ASN 31 N -1.44 -3.74 -4.75 1.64 2.85 -1.19 -4.95 115.26 103.68 2kyb n ASN 31 Ca 0.09 0.05 -0.40 0.00 -0.11 0.00 0.00 54.58 54.22 2kyb n ASN 31 Cb 0.52 -1.42 -0.05 0.00 1.24 0.00 0.00 39.78 40.07 2kyb n ASN 31 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2kyb s THR 32 N -1.91 4.48 0.08 -0.44 2.01 -1.21 -4.84 115.64 113.81 2kyb s THR 32 Ca 0.00 1.79 -0.12 0.00 0.31 0.00 0.00 61.69 63.67 2kyb s THR 32 Cb 0.00 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 2kyb s THR 32 CO 0.00 0.43 0.45 -0.54 -0.69 0.00 0.00 174.62 174.27 2kyb s LYS 33 N -0.57 3.86 -0.20 4.92 1.02 -1.26 -3.96 119.74 123.55 2kyb s LYS 33 Ca 0.39 0.32 -0.18 0.00 0.02 0.00 0.00 55.97 56.52 2kyb s LYS 33 Cb -0.23 -3.02 0.05 0.00 -0.52 0.00 0.00 37.83 34.11 2kyb s LYS 33 CO 0.26 0.56 0.53 0.54 -0.92 0.00 0.00 175.35 176.33 2kyb s VAL 34 N -1.35 -0.00 -1.17 3.17 0.11 -1.26 -5.07 120.40 114.82 2kyb s VAL 34 Ca 0.33 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.20 2kyb s VAL 34 Cb -0.15 -0.74 0.10 0.00 -1.53 0.00 0.00 36.38 34.06 2kyb s VAL 34 CO 0.18 0.00 1.53 0.42 -3.33 0.00 0.00 175.10 173.90 2kyb s THR 35 N 0.30 4.36 1.05 5.04 -4.23 -1.26 -3.80 115.64 117.10 2kyb s THR 35 Ca -0.00 -1.80 -0.19 0.00 -1.18 0.00 0.00 61.69 58.51 2kyb s THR 35 Cb -0.04 -5.05 0.00 0.00 1.34 0.00 0.00 72.50 68.75 2kyb s THR 35 CO 0.00 -1.85 -0.33 -0.38 -0.54 0.00 0.00 174.62 171.53 2kyb n ILE 36 N 5.98 0.00 0.00 2.99 5.41 -0.93 -4.82 119.36 127.99 2kyb n ILE 36 Ca 0.40 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.91 2kyb n ILE 36 Cb 0.47 -0.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 2kyb n ILE 36 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2kyb n VAL 37 N -3.90 0.00 -2.45 1.39 0.31 -1.26 -4.88 118.33 107.54 2kyb n VAL 37 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2kyb n VAL 37 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 2kyb n VAL 37 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kyb n GLY 38 N 2.98 6.14 2.99 2.92 0.00 -1.26 -5.05 105.19 113.92 2kyb n GLY 38 Ca 0.00 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 2kyb n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kyb s GLU 39 N 1.64 0.23 -0.13 1.61 2.12 -1.26 -3.98 118.70 118.93 2kyb s GLU 39 Ca 0.00 -0.18 -0.05 0.00 0.36 0.00 0.00 54.97 55.09 2kyb s GLU 39 Cb 0.00 0.10 0.06 0.00 0.26 0.00 0.00 34.13 34.55 2kyb s GLU 39 CO 0.00 -0.04 0.28 -2.00 -0.54 0.00 0.00 175.26 172.95 2kyb s GLU 40 N -0.65 0.18 5.88 4.30 2.56 0.29 -5.00 118.70 126.26 2kyb s GLU 40 Ca -0.07 0.73 0.00 0.00 0.00 0.00 0.00 54.97 55.63 2kyb s GLU 40 Cb -0.04 -0.02 0.00 0.00 2.00 0.00 0.00 34.13 36.06 2kyb s GLU 40 CO 0.00 -0.25 0.00 0.41 -0.56 0.00 0.00 175.26 174.86 2kyb n GLY 41 N 5.09 3.37 2.26 -1.50 0.00 -1.26 -1.27 105.19 111.87 2kyb n GLY 41 Ca -0.11 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 2kyb n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kyb n ALA 42 N 10.76 5.89 -3.74 4.61 0.00 -1.26 -4.94 120.51 131.83 2kyb n ALA 42 Ca 0.00 -3.13 -0.08 0.00 0.00 0.00 0.00 53.44 50.23 2kyb n ALA 42 Cb 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 19.45 17.86 2kyb n ALA 42 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2kyb s PHE 43 N -3.51 -0.16 0.22 0.00 -0.71 -0.40 -3.05 117.98 110.38 2kyb s PHE 43 Ca 0.60 -0.26 0.05 0.00 -1.04 0.00 0.00 56.93 56.27 2kyb s PHE 43 Cb 0.49 0.64 -0.05 0.00 -1.21 0.00 0.00 43.02 42.88 2kyb s PHE 43 CO 0.06 -1.17 -0.05 1.52 -1.34 0.00 0.00 175.22 174.25 2kyb s TYR 44 N -3.91 1.61 0.16 3.49 1.13 -1.24 -0.55 117.35 118.04 2kyb s TYR 44 Ca 0.11 -0.81 -0.20 0.00 -1.41 0.00 0.00 57.07 54.76 2kyb s TYR 44 Cb -0.05 -0.89 -0.08 0.00 -1.10 0.00 0.00 41.96 39.84 2kyb s TYR 44 CO 0.05 0.09 0.67 0.21 -2.51 0.00 0.00 175.55 174.06 2kyb s LYS 45 N -3.79 4.28 0.04 -3.49 2.20 -1.26 -4.26 119.74 113.46 2kyb s LYS 45 Ca 0.26 0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 56.70 2kyb s LYS 45 Cb 0.04 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 2kyb s LYS 45 CO 0.08 0.51 0.01 0.96 -0.36 0.00 0.00 175.35 176.55 2kyb s ILE 46 N -1.32 0.17 -0.42 5.43 -4.36 -1.25 -3.98 121.20 115.48 2kyb s ILE 46 Ca 0.37 -1.40 0.03 0.00 -0.26 0.00 0.00 60.65 59.39 2kyb s ILE 46 Cb -0.19 -1.07 0.12 0.00 1.25 0.00 0.00 42.46 42.57 2kyb s ILE 46 CO 0.21 -0.77 0.18 -1.83 0.24 0.00 0.00 174.94 172.97 2kyb s GLU 47 N -3.05 1.44 0.06 0.37 -1.05 -1.26 -4.05 118.70 111.16 2kyb s GLU 47 Ca -0.01 -2.00 0.06 0.00 -0.15 0.00 0.00 54.97 52.87 2kyb s GLU 47 Cb 0.02 -2.78 -0.03 0.00 -0.44 0.00 0.00 34.13 30.90 2kyb s GLU 47 CO -0.07 -1.06 -0.16 -0.47 0.95 0.00 0.00 175.26 174.45 2kyb s TYR 48 N 0.51 1.42 -1.19 4.83 5.04 -1.17 -4.72 117.35 122.06 2kyb s TYR 48 Ca 0.15 -0.40 0.00 0.00 -2.44 0.00 0.00 57.07 54.38 2kyb s TYR 48 Cb -0.22 -0.82 0.00 0.00 0.35 0.00 0.00 41.96 41.27 2kyb s TYR 48 CO -0.06 0.08 0.00 1.63 -1.34 0.00 0.00 175.55 175.86 2kyb n LYS 49 N 1.58 -1.49 -0.84 4.97 5.02 -1.26 -0.01 118.16 126.13 2kyb n LYS 49 Ca -0.19 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2kyb n LYS 49 Cb 0.54 -4.93 0.00 0.00 -0.02 0.00 0.00 35.03 30.62 2kyb n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kyb n GLY 50 N -0.04 0.55 3.92 0.72 0.00 -1.26 -4.98 105.19 104.11 2kyb n GLY 50 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 2kyb n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kyb s SER 51 N -2.50 5.17 -0.11 1.61 0.15 0.98 -5.13 113.70 113.87 2kyb s SER 51 Ca 0.00 -0.71 -0.05 0.00 0.70 0.00 0.00 55.95 55.89 2kyb s SER 51 Cb 0.00 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.80 2kyb s SER 51 CO 0.00 -0.75 0.07 -1.38 1.20 0.00 0.00 173.24 172.37 2kyb s HIS 52 N -2.48 3.35 0.20 3.44 -3.43 -1.26 -3.07 115.29 112.04 2kyb s HIS 52 Ca 0.50 0.31 -0.12 0.00 -0.80 0.00 0.00 55.06 54.95 2kyb s HIS 52 Cb -0.05 -1.89 0.00 0.00 -1.43 0.00 0.00 32.58 29.21 2kyb s HIS 52 CO 0.29 0.53 0.40 0.20 -2.00 0.00 0.00 174.74 174.17 2kyb s GLY 53 N -0.76 0.38 0.06 -1.38 0.00 -1.26 -5.04 107.32 99.32 2kyb s GLY 53 Ca 0.12 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.13 2kyb s GLY 53 CO 0.03 -0.64 -0.08 -0.19 0.00 0.00 0.00 173.10 172.22 2kyb s TYR 54 N -3.97 0.76 -0.00 1.90 2.02 -1.19 -3.82 117.35 113.06 2kyb s TYR 54 Ca 0.17 -0.58 -0.16 0.00 -0.37 0.00 0.00 57.07 56.13 2kyb s TYR 54 Cb 0.01 -0.45 0.03 0.00 -0.40 0.00 0.00 41.96 41.15 2kyb s TYR 54 CO 0.03 -0.08 0.33 0.14 -1.57 0.00 0.00 175.55 174.40 2kyb s VAL 55 N -1.85 0.06 0.11 0.71 -7.23 -1.26 -1.90 120.40 109.03 2kyb s VAL 55 Ca -0.05 -0.49 -0.31 0.00 -1.81 0.00 0.00 61.98 59.33 2kyb s VAL 55 Cb -0.07 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 36.06 2kyb s VAL 55 CO -0.00 -0.27 1.73 0.00 -0.31 0.00 0.00 175.10 176.25 2kyb s ALA 56 N -1.61 3.74 0.14 1.32 0.00 -1.26 -3.59 121.76 120.49 2kyb s ALA 56 Ca -0.11 1.35 0.05 0.00 0.00 0.00 0.00 51.96 53.24 2kyb s ALA 56 Cb -0.04 -3.72 -0.13 0.00 0.00 0.00 0.00 23.12 19.23 2kyb s ALA 56 CO 0.03 -1.13 1.31 1.57 0.00 0.00 0.00 175.76 177.54 2kyb h LYS 57 N 8.30 0.07 -0.75 0.00 2.10 -1.88 -3.25 116.57 121.16 2kyb h LYS 57 Ca -0.44 -0.10 0.11 0.00 -2.00 0.00 0.00 60.65 58.22 2kyb h LYS 57 Cb 1.21 0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 32.52 2kyb h LYS 57 CO 0.94 0.98 0.49 1.49 -2.00 0.00 0.00 179.45 181.36 2kyb h GLU 58 N 0.03 0.56 -0.78 0.07 4.81 -1.90 -0.15 114.58 117.22 2kyb h GLU 58 Ca -0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2kyb h GLU 58 Cb 1.68 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.90 2kyb h GLU 58 CO 0.14 0.37 0.49 1.88 -0.73 0.00 0.00 179.01 181.16 2kyb h TYR 59 N 0.58 1.01 -0.01 0.92 -1.99 -1.97 -3.55 116.97 111.97 2kyb h TYR 59 Ca 0.36 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.10 2kyb h TYR 59 Cb 0.59 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 38.98 2kyb h TYR 59 CO -0.00 0.66 0.00 -0.89 -0.00 0.00 0.00 178.16 177.93