#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4j s SER 12 N 0.00 -0.12 0.02 1.61 0.15 -1.26 -5.20 113.70 108.91 2k4j s SER 12 Ca 0.00 -0.77 -0.01 0.00 0.70 0.00 0.00 55.95 55.86 2k4j s SER 12 Cb 0.00 0.71 -0.02 0.00 -1.71 0.00 0.00 66.02 65.00 2k4j s SER 12 CO 0.00 -1.35 -0.00 -1.61 1.20 0.00 0.00 173.24 171.48 2k4j s GLU 13 N -3.04 0.39 0.00 5.44 2.02 -1.26 -5.13 118.70 117.12 2k4j s GLU 13 Ca 0.14 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.45 2k4j s GLU 13 Cb -0.05 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.33 2k4j s GLU 13 CO 0.08 -0.07 0.00 0.39 0.02 0.00 0.00 175.26 175.67 2k4j n GLU 14 N 1.31 0.00 -4.40 1.61 1.02 -1.26 -5.12 120.64 113.80 2k4j n GLU 14 Ca -0.22 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.72 2k4j n GLU 14 Cb 0.56 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.88 2k4j n GLU 14 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2k4j s VAL 15 N 0.00 1.53 -1.04 2.62 -7.23 -1.26 -4.85 120.40 110.17 2k4j s VAL 15 Ca 0.00 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 2k4j s VAL 15 Cb 0.00 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.56 2k4j s VAL 15 CO 0.00 -0.34 0.00 -0.24 -0.31 0.00 0.00 175.10 174.21 2k4j n SER 16 N -0.53 -3.89 -4.73 4.85 2.88 -1.26 -5.00 113.62 105.93 2k4j n SER 16 Ca -0.06 0.09 -0.36 0.00 -1.33 0.00 0.00 58.87 57.21 2k4j n SER 16 Cb 0.63 -2.87 0.06 0.00 -0.75 0.00 0.00 64.21 61.28 2k4j n SER 16 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2k4j s GLU 17 N -4.01 2.58 0.85 -1.46 2.02 -1.26 -4.42 118.70 113.00 2k4j s GLU 17 Ca 0.00 1.99 -0.11 0.00 0.02 0.00 0.00 54.97 56.87 2k4j s GLU 17 Cb 0.00 -1.86 0.10 0.00 0.10 0.00 0.00 34.13 32.48 2k4j s GLU 17 CO 0.00 -1.56 1.10 -1.25 0.02 0.00 0.00 175.26 173.57 2k4j s PRO 18 N -3.42 1.59 0.41 0.39 0.04 -1.26 -4.70 135.00 128.05 2k4j s PRO 18 Ca 0.81 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.96 2k4j s PRO 18 Cb -0.35 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 2k4j s PRO 18 CO 0.39 -2.08 0.13 0.20 0.04 0.00 0.00 177.00 175.68 2k4j s GLY 19 N -3.28 2.62 0.11 0.56 0.00 -0.49 -4.96 107.32 101.88 2k4j s GLY 19 Ca 0.63 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 44.14 2k4j s GLY 19 CO 0.57 -1.83 -0.07 0.99 0.00 0.00 0.00 173.10 172.76 2k4j s ASP 20 N -3.61 1.26 -0.45 1.64 1.01 -1.26 -0.55 116.67 114.70 2k4j s ASP 20 Ca 0.24 -1.02 0.07 0.00 0.71 0.00 0.00 52.55 52.54 2k4j s ASP 20 Cb 0.02 0.08 0.30 0.00 1.01 0.00 0.00 42.92 44.33 2k4j s ASP 20 CO 0.15 -0.45 1.00 0.00 0.21 0.00 0.00 175.17 176.08 2k4j n ALA 21 N -0.08 -0.49 -1.00 5.23 0.00 0.06 -4.86 120.51 119.36 2k4j n ALA 21 Ca -0.11 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.58 2k4j n ALA 21 Cb 0.61 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2k4j n ALA 21 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k4j n ASN 22 N 0.70 0.00 0.14 0.00 4.13 -1.26 -1.68 115.26 117.29 2k4j n ASN 22 Ca 0.09 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.35 2k4j n ASN 22 Cb 0.67 0.00 0.20 0.00 -1.54 0.00 0.00 39.78 39.11 2k4j n ASN 22 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2k4j h ILE 23 N 0.00 1.41 -1.85 2.41 1.08 -1.96 -3.47 117.51 115.13 2k4j h ILE 23 Ca 0.00 -2.00 -0.61 0.00 -0.39 0.00 0.00 64.86 61.86 2k4j h ILE 23 Cb 0.00 2.08 -0.13 0.00 -3.07 0.00 0.00 36.82 35.70 2k4j h ILE 23 CO 0.00 0.57 -0.62 0.72 -0.69 0.00 0.00 178.15 178.13 2k4j s PHE 24 N -3.69 2.43 0.02 1.37 -0.71 -0.67 -1.26 117.98 115.47 2k4j s PHE 24 Ca -0.01 -0.65 0.04 0.00 -1.04 0.00 0.00 56.93 55.27 2k4j s PHE 24 Cb 0.13 -1.62 -0.02 0.00 -1.21 0.00 0.00 43.02 40.30 2k4j s PHE 24 CO 0.76 0.44 -0.13 1.03 -1.34 0.00 0.00 175.22 175.98 2k4j s ARG 25 N -3.70 0.93 -0.19 1.99 3.00 0.12 -0.76 118.95 120.33 2k4j s ARG 25 Ca 0.34 -0.66 -0.06 0.00 0.00 0.00 0.00 55.73 55.35 2k4j s ARG 25 Cb 0.08 -0.92 -0.03 0.00 0.00 0.00 0.00 34.95 34.08 2k4j s ARG 25 CO 0.17 0.23 0.03 0.54 0.00 0.00 0.00 175.30 176.28 2k4j s VAL 26 N -0.69 4.38 -0.38 3.52 0.11 0.29 -1.17 120.40 126.45 2k4j s VAL 26 Ca 0.02 -0.17 -0.19 0.00 -2.93 0.00 0.00 61.98 58.71 2k4j s VAL 26 Cb -0.07 -2.98 0.01 0.00 -1.53 0.00 0.00 36.38 31.81 2k4j s VAL 26 CO 0.01 0.44 0.56 -0.62 -3.33 0.00 0.00 175.10 172.15 2k4j s ASP 27 N 0.73 6.32 0.24 3.54 -1.08 -0.32 -1.40 116.67 124.70 2k4j s ASP 27 Ca 0.02 -0.15 0.19 0.00 -0.52 0.00 0.00 52.55 52.09 2k4j s ASP 27 Cb -0.14 -2.29 0.06 0.00 -1.46 0.00 0.00 42.92 39.10 2k4j s ASP 27 CO 0.02 -0.59 1.22 0.50 0.52 0.00 0.00 175.17 176.84 2k4j h LYS 28 N 8.60 0.00 0.01 4.34 1.63 -1.84 -1.41 116.57 127.90 2k4j h LYS 28 Ca -0.27 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 2k4j h LYS 28 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 2k4j h LYS 28 CO 0.82 0.19 -0.10 -0.44 -3.45 0.00 0.00 179.45 176.47 2k4j h ASP 29 N 0.00 0.06 0.05 4.20 3.32 -1.92 -3.36 116.42 118.77 2k4j h ASP 29 Ca -0.04 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.08 2k4j h ASP 29 Cb 1.23 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2k4j h ASP 29 CO 0.03 0.99 -0.49 -1.20 -1.72 0.00 0.00 179.24 176.85 2k4j n SER 30 N -4.58 1.70 -2.62 6.45 7.64 -1.26 -5.02 113.62 115.93 2k4j n SER 30 Ca -0.10 -1.31 -0.07 0.00 1.01 0.00 0.00 58.87 58.40 2k4j n SER 30 Cb 0.50 0.46 0.03 0.00 -1.01 0.00 0.00 64.21 64.18 2k4j n SER 30 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2k4j n ARG 31 N -0.32 -1.29 -4.34 1.43 0.63 -0.88 -5.06 116.66 106.83 2k4j n ARG 31 Ca 0.09 0.77 -0.17 0.00 -0.92 0.00 0.00 57.85 57.62 2k4j n ARG 31 Cb 0.43 -4.36 -0.10 0.00 0.45 0.00 0.00 32.46 28.87 2k4j n ARG 31 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2k4j s GLU 32 N -3.62 1.43 -0.14 -0.14 2.02 -0.58 -4.56 118.70 113.11 2k4j s GLU 32 Ca 0.21 -1.77 -0.04 0.00 0.02 0.00 0.00 54.97 53.38 2k4j s GLU 32 Cb -0.03 -0.40 0.07 0.00 0.10 0.00 0.00 34.13 33.88 2k4j s GLU 32 CO 0.49 -0.25 0.24 0.54 0.02 0.00 0.00 175.26 176.30 2k4j s VAL 33 N -3.64 -0.38 -0.21 2.63 0.11 0.28 -1.18 120.40 118.01 2k4j s VAL 33 Ca 0.36 0.21 -0.04 0.00 -2.93 0.00 0.00 61.98 59.59 2k4j s VAL 33 Cb 0.08 -0.47 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 2k4j s VAL 33 CO 0.13 0.06 -0.04 -0.31 -3.33 0.00 0.00 175.10 171.61 2k4j s TYR 34 N 2.39 2.96 0.23 1.54 1.51 -0.32 -0.86 117.35 124.79 2k4j s TYR 34 Ca 0.03 -0.79 -0.04 0.00 -1.01 0.00 0.00 57.07 55.26 2k4j s TYR 34 Cb -0.13 -2.07 -0.05 0.00 -0.11 0.00 0.00 41.96 39.60 2k4j s TYR 34 CO -0.09 -0.44 0.46 -1.64 -1.11 0.00 0.00 175.55 172.74 2k4j s MET 35 N 1.24 3.60 0.60 -0.62 -1.94 -0.00 -0.70 119.30 121.47 2k4j s MET 35 Ca 0.03 -0.12 0.29 0.00 -1.71 0.00 0.00 55.69 54.18 2k4j s MET 35 Cb -0.14 -2.75 1.53 0.00 2.01 0.00 0.00 34.83 35.47 2k4j s MET 35 CO -0.01 0.33 1.93 1.25 -0.01 0.00 0.00 175.02 178.51 2k4j h HIS 36 N 2.06 0.00 0.03 -0.03 2.76 -1.56 -0.95 115.15 117.47 2k4j h HIS 36 Ca -0.47 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 57.45 2k4j h HIS 36 Cb 1.18 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.12 2k4j h HIS 36 CO 0.58 0.00 -1.28 0.93 -1.30 0.00 0.00 177.93 176.86 2k4j h GLU 37 N 0.00 0.06 -1.01 5.26 3.07 -1.94 -3.50 114.58 116.52 2k4j h GLU 37 Ca 0.16 -0.11 0.28 0.00 -0.50 0.00 0.00 59.36 59.19 2k4j h GLU 37 Cb 0.98 0.04 -0.26 0.00 -0.84 0.00 0.00 28.75 28.68 2k4j h GLU 37 CO -0.00 0.92 0.99 -1.59 -1.40 0.00 0.00 179.01 177.93 2k4j s LYS 38 N -2.66 0.01 0.46 2.33 0.00 -0.36 -5.08 119.74 114.44 2k4j s LYS 38 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 55.97 55.73 2k4j s LYS 38 Cb 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 37.83 37.84 2k4j s LYS 38 CO 0.83 -0.00 1.08 -1.59 0.00 0.00 0.00 175.35 175.67 2k4j s LYS 39 N -1.33 3.84 0.04 1.78 -2.85 -1.26 -0.82 119.74 119.13 2k4j s LYS 39 Ca 0.10 1.52 -0.01 0.00 -1.00 0.00 0.00 55.97 56.59 2k4j s LYS 39 Cb -0.01 -2.27 -0.03 0.00 -2.06 0.00 0.00 37.83 33.46 2k4j s LYS 39 CO -0.07 -0.43 -0.02 -0.51 0.10 0.00 0.00 175.35 174.43 2k4j s LEU 40 N -3.19 2.35 -0.42 2.77 1.43 -0.04 -4.88 118.68 116.70 2k4j s LEU 40 Ca 0.65 -0.80 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 2k4j s LEU 40 Cb -0.21 0.21 0.32 0.00 0.03 0.00 0.00 46.19 46.53 2k4j s LEU 40 CO 0.26 -0.50 1.21 -0.90 0.23 0.00 0.00 176.35 176.65 2k4j n ASP 41 N 0.64 -1.98 0.00 2.29 5.75 -1.26 -0.56 116.55 121.43 2k4j n ASP 41 Ca -0.18 -3.07 0.00 0.00 -0.01 0.00 0.00 54.79 51.53 2k4j n ASP 41 Cb 0.59 1.64 0.00 0.00 -1.03 0.00 0.00 41.12 42.32 2k4j n ASP 41 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2k4j n LEU 42 N 0.31 0.00 -4.29 -2.12 -0.00 -1.26 -4.99 117.00 104.65 2k4j n LEU 42 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.87 2k4j n LEU 42 Cb 0.72 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 44.05 2k4j n LEU 42 CO -0.01 0.00 -0.23 -0.89 -0.00 0.00 0.00 177.39 176.26 2k4j s THR 43 N 1.01 0.32 0.25 1.96 2.01 -1.26 -4.92 115.64 115.01 2k4j s THR 43 Ca 0.00 -2.00 -0.04 0.00 0.31 0.00 0.00 61.69 59.96 2k4j s THR 43 Cb 0.00 -2.56 0.21 0.00 0.01 0.00 0.00 72.50 70.16 2k4j s THR 43 CO 0.00 0.00 1.79 -0.09 -0.69 0.00 0.00 174.62 175.63 2k4j h ARG 44 N 2.41 0.67 0.06 4.92 1.12 -1.99 0.90 114.38 122.48 2k4j h ARG 44 Ca -0.36 -0.04 -0.24 0.00 -1.11 0.00 0.00 59.98 58.22 2k4j h ARG 44 Cb 1.25 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 31.06 2k4j h ARG 44 CO 0.56 0.45 -1.08 0.00 -3.11 0.00 0.00 179.97 176.79 2k4j h ALA 45 N 1.48 0.26 -0.46 2.80 0.00 -1.96 -0.65 119.26 120.72 2k4j h ALA 45 Ca 0.40 -0.80 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 2k4j h ALA 45 Cb 0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2k4j h ALA 45 CO -0.29 0.91 -0.13 0.93 0.00 0.00 0.00 179.25 180.68 2k4j h GLU 46 N 0.14 0.85 -0.22 0.00 3.07 -1.82 -1.50 114.58 115.10 2k4j h GLU 46 Ca -0.10 -0.30 -0.00 0.00 -0.50 0.00 0.00 59.36 58.46 2k4j h GLU 46 Cb 1.76 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.60 2k4j h GLU 46 CO 0.18 0.93 0.13 -0.92 -1.40 0.00 0.00 179.01 177.93 2k4j h TYR 47 N 0.76 0.29 -0.59 4.33 3.20 -0.77 -1.96 116.97 122.23 2k4j h TYR 47 Ca 0.12 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.05 2k4j h TYR 47 Cb 0.64 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 2k4j h TYR 47 CO 0.04 0.24 0.30 1.49 -1.64 0.00 0.00 178.16 178.59 2k4j h GLU 48 N 0.26 0.56 -0.41 1.82 4.57 -0.59 0.13 114.58 120.93 2k4j h GLU 48 Ca 0.08 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2k4j h GLU 48 Cb 0.03 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2k4j h GLU 48 CO -0.01 0.37 0.08 -0.84 -1.18 0.00 0.00 179.01 177.42 2k4j h ILE 49 N 0.57 1.24 -0.39 2.32 3.07 -1.27 -1.62 117.51 121.42 2k4j h ILE 49 Ca 0.26 -0.84 -0.09 0.00 1.55 0.00 0.00 64.86 65.75 2k4j h ILE 49 Cb 0.18 1.00 -0.01 0.00 -0.27 0.00 0.00 36.82 37.71 2k4j h ILE 49 CO -0.18 0.29 -0.11 -0.07 -1.05 0.00 0.00 178.15 177.02 2k4j h LEU 50 N 0.53 0.78 -0.40 0.16 3.38 -0.78 0.69 115.31 119.66 2k4j h LEU 50 Ca 0.13 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.80 2k4j h LEU 50 Cb 0.35 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 2k4j h LEU 50 CO 0.01 0.97 -0.34 -1.28 0.09 0.00 0.00 178.44 177.88 2k4j h SER 51 N 0.57 -1.14 -0.52 -0.43 0.87 -0.75 0.53 113.55 112.68 2k4j h SER 51 Ca 0.10 0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.81 2k4j h SER 51 Cb 0.64 0.53 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 2k4j h SER 51 CO 0.04 -0.33 0.17 0.25 -0.53 0.00 0.00 176.83 176.43 2k4j h LEU 52 N -0.27 0.79 0.39 2.23 7.12 -1.08 -1.03 115.31 123.47 2k4j h LEU 52 Ca 0.17 -0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 2k4j h LEU 52 Cb 0.55 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 2k4j h LEU 52 CO -0.54 0.75 -0.19 0.25 -0.13 0.00 0.00 178.44 178.58 2k4j h LEU 53 N 0.83 -0.45 -1.33 2.25 5.85 -0.20 0.01 115.31 122.28 2k4j h LEU 53 Ca 0.19 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2k4j h LEU 53 Cb 0.25 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2k4j h LEU 53 CO -0.01 -0.12 -0.11 0.40 -0.34 0.00 0.00 178.44 178.27 2k4j h ILE 54 N -0.81 1.19 -0.19 4.05 1.08 -0.93 -0.51 117.51 121.40 2k4j h ILE 54 Ca -0.05 -0.81 -0.03 0.00 -0.39 0.00 0.00 64.86 63.58 2k4j h ILE 54 Cb 0.53 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 2k4j h ILE 54 CO 0.09 0.26 0.02 -1.28 -0.69 0.00 0.00 178.15 176.55 2k4j h SER 55 N 0.30 0.31 0.32 1.72 0.87 -1.10 -3.35 113.55 112.62 2k4j h SER 55 Ca 0.06 -0.28 -0.33 0.00 -1.23 0.00 0.00 61.79 60.01 2k4j h SER 55 Cb 0.38 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2k4j h SER 55 CO 0.02 0.52 -1.52 0.07 -0.53 0.00 0.00 176.83 175.38 2k4j h LYS 56 N 0.10 0.44 0.00 2.24 2.10 -0.85 -3.50 116.57 117.09 2k4j h LYS 56 Ca 0.06 -0.75 0.00 0.00 -2.00 0.00 0.00 60.65 57.96 2k4j h LYS 56 Cb 0.35 0.28 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2k4j h LYS 56 CO 0.01 1.35 0.00 0.36 -2.00 0.00 0.00 179.45 179.16 2k4j n LYS 57 N -3.63 0.00 -0.03 0.07 2.85 -0.21 -5.07 118.16 112.14 2k4j n LYS 57 Ca -0.18 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.00 2k4j n LYS 57 Cb 1.08 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.43 2k4j n LYS 57 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2k4j h GLY 58 N 0.00 0.13 0.00 2.58 0.00 -1.76 -3.43 103.07 100.59 2k4j h GLY 58 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2k4j h GLY 58 CO 0.00 -0.06 0.00 2.98 0.00 0.00 0.00 176.54 179.46 2k4j n TYR 59 N -5.17 -0.53 -3.97 5.60 9.36 -0.90 -3.86 117.16 117.68 2k4j n TYR 59 Ca -0.03 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.85 2k4j n TYR 59 Cb 0.11 0.15 -0.15 0.00 -0.63 0.00 0.00 39.34 38.82 2k4j n TYR 59 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2k4j s VAL 60 N 0.00 2.92 -0.44 2.97 1.01 -1.26 -1.04 120.40 124.56 2k4j s VAL 60 Ca 0.00 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 2k4j s VAL 60 Cb 0.00 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2k4j s VAL 60 CO 0.00 0.40 1.48 0.12 0.00 0.00 0.00 175.10 177.10 2k4j s PHE 61 N 1.39 2.26 -0.06 5.22 5.36 0.09 -4.80 117.98 127.45 2k4j s PHE 61 Ca 0.04 0.63 0.05 0.00 -0.96 0.00 0.00 56.93 56.70 2k4j s PHE 61 Cb -0.14 -4.30 -0.01 0.00 -0.34 0.00 0.00 43.02 38.23 2k4j s PHE 61 CO -0.06 -2.13 -0.23 -1.12 -1.46 0.00 0.00 175.22 170.23 2k4j s SER 62 N 4.50 2.81 0.33 6.13 0.01 -1.26 -1.21 113.70 125.01 2k4j s SER 62 Ca 0.62 -0.48 0.12 0.00 1.31 0.00 0.00 55.95 57.53 2k4j s SER 62 Cb -0.14 -0.89 1.01 0.00 0.21 0.00 0.00 66.02 66.21 2k4j s SER 62 CO 0.31 0.20 1.65 0.08 0.41 0.00 0.00 173.24 175.89 2k4j h ARG 63 N 6.26 0.24 -0.01 12.44 -0.00 -1.86 0.10 114.38 131.56 2k4j h ARG 63 Ca -0.30 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 59.67 2k4j h ARG 63 Cb 1.19 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.97 31.10 2k4j h ARG 63 CO 0.47 0.16 -0.01 1.49 -0.00 0.00 0.00 179.97 182.08 2k4j h GLU 64 N 0.25 0.01 -0.57 0.08 4.81 -1.83 -1.00 114.58 116.34 2k4j h GLU 64 Ca 0.70 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.92 2k4j h GLU 64 Cb 1.59 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.94 2k4j h GLU 64 CO -0.65 0.52 0.33 1.03 -0.73 0.00 0.00 179.01 179.51 2k4j h SER 65 N -0.49 0.68 -0.58 1.04 0.87 -1.53 -0.62 113.55 112.92 2k4j h SER 65 Ca 0.00 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 2k4j h SER 65 Cb 0.52 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2k4j h SER 65 CO 0.00 0.53 0.15 0.40 -0.53 0.00 0.00 176.83 177.39 2k4j h ILE 66 N 0.78 1.25 0.00 2.23 1.08 -0.87 -1.02 117.51 120.96 2k4j h ILE 66 Ca 0.20 -0.87 -0.02 0.00 -0.39 0.00 0.00 64.86 63.78 2k4j h ILE 66 Cb -0.01 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 2k4j h ILE 66 CO -0.04 0.32 -0.11 0.00 -0.69 0.00 0.00 178.15 177.63 2k4j h ALA 67 N 1.03 1.40 -0.01 1.87 0.00 -0.27 0.20 119.26 123.49 2k4j h ALA 67 Ca 0.18 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 2k4j h ALA 67 Cb 0.33 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.12 2k4j h ALA 67 CO -0.00 0.14 -0.89 0.82 0.00 0.00 0.00 179.25 179.33 2k4j h ILE 68 N 0.00 1.32 0.00 0.00 1.08 -0.61 -3.21 117.51 116.09 2k4j h ILE 68 Ca -0.00 -2.17 -0.17 0.00 -0.39 0.00 0.00 64.86 62.13 2k4j h ILE 68 Cb 0.28 2.42 -0.03 0.00 -3.07 0.00 0.00 36.82 36.42 2k4j h ILE 68 CO 0.01 0.66 -1.85 -0.62 -0.69 0.00 0.00 178.15 175.66 2k4j n GLU 69 N -3.98 0.65 -0.11 2.37 1.02 -0.44 -4.57 120.64 115.58 2k4j n GLU 69 Ca -0.11 0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 56.85 2k4j n GLU 69 Cb 0.81 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 30.50 2k4j n GLU 69 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2k4j n SER 70 N -2.66 1.91 0.00 1.62 3.41 0.68 -4.41 113.62 114.17 2k4j n SER 70 Ca -0.15 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2k4j n SER 70 Cb 0.85 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2k4j n SER 70 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2k4j n GLU 71 N -4.38 0.00 -0.04 4.33 2.13 -1.21 -4.83 120.64 116.65 2k4j n GLU 71 Ca -0.37 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.45 2k4j n GLU 71 Cb 0.70 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.72 2k4j n GLU 71 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2k4j n SER 72 N 0.00 2.33 -3.81 4.31 2.88 -1.26 -4.77 113.62 113.29 2k4j n SER 72 Ca 0.00 -1.50 -0.13 0.00 -1.33 0.00 0.00 58.87 55.91 2k4j n SER 72 Cb 0.00 -0.40 -0.14 0.00 -0.75 0.00 0.00 64.21 62.91 2k4j n SER 72 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2k4j s ILE 73 N 0.31 -0.02 -0.02 2.46 -1.09 -1.26 -5.11 121.20 116.46 2k4j s ILE 73 Ca 0.00 0.09 -0.23 0.00 -2.23 0.00 0.00 60.65 58.27 2k4j s ILE 73 Cb 0.00 -0.11 -0.16 0.00 -1.58 0.00 0.00 42.46 40.61 2k4j s ILE 73 CO 0.00 0.04 1.07 0.78 -1.23 0.00 0.00 174.94 175.60 2k4j h ASN 74 N 6.58 -0.25 -3.63 3.58 4.21 -2.01 -3.44 115.58 120.61 2k4j h ASN 74 Ca -0.33 -0.27 -0.51 0.00 1.21 0.00 0.00 56.30 56.40 2k4j h ASN 74 Cb 1.17 0.07 0.02 0.00 -1.12 0.00 0.00 38.32 38.46 2k4j h ASN 74 CO 0.47 0.20 0.51 -2.16 -1.29 0.00 0.00 177.43 175.17 2k4j s PRO 75 N -4.08 4.56 0.55 0.81 0.04 -1.26 -4.96 135.00 130.66 2k4j s PRO 75 Ca -0.14 1.83 0.33 0.00 0.04 0.00 0.00 61.00 63.07 2k4j s PRO 75 Cb 0.01 -3.22 1.32 0.00 0.04 0.00 0.00 34.50 32.65 2k4j s PRO 75 CO 0.52 0.05 1.97 1.05 0.04 0.00 0.00 177.00 180.62 2k4j h GLU 76 N 4.65 0.00 0.00 4.56 4.11 -1.98 -2.08 114.58 123.84 2k4j h GLU 76 Ca -0.45 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.86 2k4j h GLU 76 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2k4j h GLU 76 CO 0.71 0.00 -0.57 0.77 0.07 0.00 0.00 179.01 180.00 2k4j h SER 77 N 0.00 0.00 -1.28 3.06 0.02 -1.93 -3.43 113.55 110.00 2k4j h SER 77 Ca -0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 2k4j h SER 77 Cb 0.54 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.93 2k4j h SER 77 CO 0.00 0.57 -0.41 -0.24 -1.14 0.00 0.00 176.83 175.61 2k4j n SER 78 N -3.40 -5.58 -0.29 3.07 2.88 -0.78 -4.51 113.62 105.00 2k4j n SER 78 Ca 0.01 0.44 0.11 0.00 -1.33 0.00 0.00 58.87 58.10 2k4j n SER 78 Cb 0.69 -4.88 0.34 0.00 -0.75 0.00 0.00 64.21 59.61 2k4j n SER 78 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2k4j h ASN 79 N 0.00 0.73 0.62 -3.46 -0.73 -1.92 0.13 115.58 110.96 2k4j h ASN 79 Ca -0.44 0.04 -0.12 0.00 1.87 0.00 0.00 56.30 57.66 2k4j h ASN 79 Cb 1.37 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.84 2k4j h ASN 79 CO 0.62 0.37 -0.56 0.11 -0.37 0.00 0.00 177.43 177.61 2k4j h LYS 80 N 0.77 0.00 0.01 6.67 6.56 -1.98 -0.98 116.57 127.63 2k4j h LYS 80 Ca 0.46 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 60.05 2k4j h LYS 80 Cb 0.66 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 2k4j h LYS 80 CO -0.23 0.56 -0.00 1.03 -2.06 0.00 0.00 179.45 178.75 2k4j h SER 81 N 0.00 -0.01 -0.12 0.86 0.87 -1.16 -0.16 113.55 113.83 2k4j h SER 81 Ca -0.01 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 2k4j h SER 81 Cb 1.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 2k4j h SER 81 CO 0.07 0.13 -0.02 0.40 -0.53 0.00 0.00 176.83 176.87 2k4j h ILE 82 N -0.14 1.16 -0.36 2.23 5.03 -1.07 0.22 117.51 124.57 2k4j h ILE 82 Ca -0.00 -0.65 -0.11 0.00 -0.12 0.00 0.00 64.86 63.98 2k4j h ILE 82 Cb 0.14 1.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.93 2k4j h ILE 82 CO 0.00 0.22 -0.20 -0.78 -0.68 0.00 0.00 178.15 176.71 2k4j h ASP 83 N 0.35 0.80 -0.37 1.72 3.58 -1.11 0.35 116.42 121.75 2k4j h ASP 83 Ca 0.08 -0.41 -0.01 0.00 0.42 0.00 0.00 57.03 57.11 2k4j h ASP 83 Cb 0.27 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2k4j h ASP 83 CO 0.01 1.04 0.21 0.58 -2.88 0.00 0.00 179.24 178.20 2k4j h VAL 84 N 0.56 1.14 0.67 2.25 2.07 -0.24 -0.47 116.25 122.23 2k4j h VAL 84 Ca 0.08 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2k4j h VAL 84 Cb 0.75 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2k4j h VAL 84 CO 0.06 0.14 -0.32 0.40 0.02 0.00 0.00 177.57 177.87 2k4j h ILE 85 N 0.47 0.00 -0.22 4.57 2.04 -0.43 -0.49 117.51 123.45 2k4j h ILE 85 Ca 0.13 -0.01 -0.11 0.00 1.00 0.00 0.00 64.86 65.87 2k4j h ILE 85 Cb 0.04 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 2k4j h ILE 85 CO -0.02 0.00 -0.33 0.40 0.00 0.00 0.00 178.15 178.19 2k4j h ILE 86 N -0.90 1.29 -0.32 -0.67 1.08 -1.01 0.69 117.51 117.66 2k4j h ILE 86 Ca -0.09 -1.42 -0.05 0.00 -0.39 0.00 0.00 64.86 62.91 2k4j h ILE 86 Cb 0.69 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 2k4j h ILE 86 CO 0.15 0.44 0.02 1.23 -0.69 0.00 0.00 178.15 179.30 2k4j h GLY 87 N 1.07 0.59 1.93 5.37 0.00 -1.10 -0.62 103.07 110.31 2k4j h GLY 87 Ca 0.05 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 2k4j h GLY 87 CO 0.06 0.39 -0.48 3.21 0.00 0.00 0.00 176.54 179.72 2k4j h ARG 88 N 0.36 0.00 0.45 4.80 -0.00 -0.94 -0.43 114.38 118.61 2k4j h ARG 88 Ca 0.09 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.55 2k4j h ARG 88 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.38 2k4j h ARG 88 CO 0.01 0.40 -0.21 1.25 0.00 0.00 0.00 179.97 181.42 2k4j h LEU 89 N 0.00 -0.51 -0.51 3.04 6.46 -0.80 0.62 115.31 123.62 2k4j h LEU 89 Ca -0.01 -0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.83 2k4j h LEU 89 Cb 1.33 0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 41.30 2k4j h LEU 89 CO 0.05 -0.31 -0.05 0.03 -0.62 0.00 0.00 178.44 177.54 2k4j h ARG 90 N -0.66 0.07 0.00 1.25 2.47 -1.10 -0.57 114.38 115.83 2k4j h ARG 90 Ca -0.06 -0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2k4j h ARG 90 Cb 0.49 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 2k4j h ARG 90 CO 0.10 0.04 -0.08 1.03 0.56 0.00 0.00 179.97 181.63 2k4j h SER 91 N 0.07 -0.22 -0.47 7.04 0.87 -0.92 -0.45 113.55 119.46 2k4j h SER 91 Ca 0.25 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.77 2k4j h SER 91 Cb 0.39 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2k4j h SER 91 CO -0.46 -0.11 0.02 0.11 -0.53 0.00 0.00 176.83 175.86 2k4j h LYS 92 N -0.13 0.88 0.00 2.24 1.79 -0.40 -0.86 116.57 120.09 2k4j h LYS 92 Ca 0.03 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2k4j h LYS 92 Cb 0.17 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2k4j h LYS 92 CO -0.08 0.86 0.00 0.44 -1.08 0.00 0.00 179.45 179.60 2k4j n ILE 93 N -4.21 0.54 0.02 1.86 -6.64 -0.26 -1.48 119.36 109.18 2k4j n ILE 93 Ca 0.03 -0.15 -0.18 0.00 -1.77 0.00 0.00 62.75 60.68 2k4j n ILE 93 Cb 0.30 -0.66 -0.14 0.00 -1.44 0.00 0.00 39.64 37.70 2k4j n ILE 93 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 2k4j h GLU 94 N 0.00 0.21 -0.03 6.28 4.81 -0.83 -3.39 114.58 121.63 2k4j h GLU 94 Ca 0.00 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 2k4j h GLU 94 Cb 0.63 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2k4j h GLU 94 CO 0.00 1.04 -0.10 -0.22 -0.73 0.00 0.00 179.01 179.00 2k4j h LYS 95 N 0.06 0.12 -7.18 1.92 3.64 -1.12 -3.45 116.57 110.57 2k4j h LYS 95 Ca -0.35 -0.09 -0.49 0.00 -1.27 0.00 0.00 60.65 58.46 2k4j h LYS 95 Cb 2.03 0.01 0.03 0.00 -0.41 0.00 0.00 32.23 33.89 2k4j h LYS 95 CO 0.11 0.70 0.34 -0.80 -2.27 0.00 0.00 179.45 177.53 2k4j s ASN 96 N -6.00 6.48 0.41 4.20 -0.87 -0.55 -5.00 114.94 113.61 2k4j s ASN 96 Ca -0.16 1.44 0.28 0.00 -1.57 0.00 0.00 52.86 52.85 2k4j s ASN 96 Cb 0.02 -2.46 1.07 0.00 -0.02 0.00 0.00 41.25 39.86 2k4j s ASN 96 CO 0.71 -0.64 1.83 1.55 -2.57 0.00 0.00 177.10 177.98 2k4j h PRO 97 N 0.59 0.00 -6.38 -0.60 0.13 -1.87 -3.43 132.00 120.43 2k4j h PRO 97 Ca -0.46 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.11 2k4j h PRO 97 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2k4j h PRO 97 CO 0.62 0.00 1.15 0.21 -0.23 0.00 0.00 178.00 179.75 2k4j s LYS 98 N -3.44 3.34 0.42 0.86 2.47 -1.26 -5.02 119.74 117.11 2k4j s LYS 98 Ca 0.04 0.84 -0.00 0.00 -1.56 0.00 0.00 55.97 55.29 2k4j s LYS 98 Cb 0.09 -4.13 -0.01 0.00 -1.46 0.00 0.00 37.83 32.32 2k4j s LYS 98 CO 0.51 -1.87 0.65 -0.65 0.16 0.00 0.00 175.35 174.15 2k4j s GLN 99 N 5.49 3.23 0.58 4.03 -0.21 -1.26 -4.56 119.66 126.95 2k4j s GLN 99 Ca 0.63 -0.38 -0.14 0.00 0.02 0.00 0.00 55.36 55.49 2k4j s GLN 99 Cb -0.14 -2.57 -0.05 0.00 1.00 0.00 0.00 33.01 31.25 2k4j s GLN 99 CO 0.29 -0.15 1.02 -1.25 -2.12 0.00 0.00 175.29 173.09 2k4j s PRO 100 N -4.50 3.59 0.00 2.91 0.04 -1.26 -4.96 135.00 130.81 2k4j s PRO 100 Ca 0.46 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2k4j s PRO 100 Cb -0.10 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2k4j s PRO 100 CO 0.38 -0.57 0.00 0.00 0.04 0.00 0.00 177.00 176.85 2k4j n GLN 101 N -2.22 0.00 0.00 4.56 10.64 -1.26 -4.93 117.38 124.17 2k4j n GLN 101 Ca 0.07 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.36 2k4j n GLN 101 Cb 0.54 -0.08 0.23 0.00 -0.86 0.00 0.00 30.24 30.07 2k4j n GLN 101 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2k4j n TYR 102 N -0.93 0.00 -3.95 2.61 4.01 -1.26 -4.89 117.16 112.75 2k4j n TYR 102 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 2k4j n TYR 102 Cb 0.00 -0.02 -0.11 0.00 -0.31 0.00 0.00 39.34 38.90 2k4j n TYR 102 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2k4j s ILE 103 N -2.20 4.52 0.03 -0.72 1.09 -1.26 -3.79 121.20 118.87 2k4j s ILE 103 Ca 0.27 -0.12 0.07 0.00 -1.10 0.00 0.00 60.65 59.78 2k4j s ILE 103 Cb 0.20 -3.07 -0.02 0.00 -1.06 0.00 0.00 42.46 38.51 2k4j s ILE 103 CO 0.41 0.41 -0.21 -0.63 -0.10 0.00 0.00 174.94 174.83 2k4j s ILE 104 N 0.89 1.65 0.04 2.92 1.01 0.07 -4.99 121.20 122.80 2k4j s ILE 104 Ca 0.03 -1.13 -0.22 0.00 0.00 0.00 0.00 60.65 59.34 2k4j s ILE 104 Cb -0.14 -1.42 -0.06 0.00 0.01 0.00 0.00 42.46 40.85 2k4j s ILE 104 CO 0.03 0.25 0.64 -0.44 0.00 0.00 0.00 174.94 175.42 2k4j s SER 105 N -1.04 7.08 -0.38 3.58 0.01 -1.26 -0.21 113.70 121.48 2k4j s SER 105 Ca 0.07 1.29 0.02 0.00 1.31 0.00 0.00 55.95 58.65 2k4j s SER 105 Cb -0.09 -2.40 0.11 0.00 0.21 0.00 0.00 66.02 63.86 2k4j s SER 105 CO 0.01 0.14 0.13 -0.69 0.41 0.00 0.00 173.24 173.24 2k4j s VAL 106 N -0.48 1.80 0.00 3.43 1.01 0.51 -4.85 120.40 121.82 2k4j s VAL 106 Ca 0.32 -2.30 0.00 0.00 0.00 0.00 0.00 61.98 60.00 2k4j s VAL 106 Cb -0.19 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2k4j s VAL 106 CO 0.20 -0.71 0.00 -1.14 0.00 0.00 0.00 175.10 173.45 2k4j n ARG 107 N 4.08 -0.30 -1.00 2.72 0.63 -1.26 -1.53 116.66 120.01 2k4j n ARG 107 Ca 0.03 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2k4j n ARG 107 Cb 0.39 -4.03 0.00 0.00 0.45 0.00 0.00 32.46 29.27 2k4j n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k4j n GLY 108 N -1.61 0.47 0.39 5.14 0.00 -1.26 -4.89 105.19 103.42 2k4j n GLY 108 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2k4j n GLY 108 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k4j n ILE 109 N -2.82 0.43 -4.11 -0.61 2.08 -0.79 -5.03 119.36 108.50 2k4j n ILE 109 Ca 0.00 -0.14 -0.28 0.00 0.56 0.00 0.00 62.75 62.89 2k4j n ILE 109 Cb 0.06 -1.17 -0.07 0.00 -0.75 0.00 0.00 39.64 37.71 2k4j n ILE 109 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2k4j s GLY 110 N -4.92 1.83 -0.16 7.39 0.00 -0.58 -3.05 107.32 107.83 2k4j s GLY 110 Ca -0.10 -1.19 -0.01 0.00 0.00 0.00 0.00 44.72 43.42 2k4j s GLY 110 CO 0.15 -1.18 -0.02 -0.19 0.00 0.00 0.00 173.10 171.86 2k4j s TYR 111 N -1.57 1.35 -0.08 1.90 1.51 -0.35 -0.36 117.35 119.75 2k4j s TYR 111 Ca 0.29 -0.87 -0.30 0.00 -1.01 0.00 0.00 57.07 55.18 2k4j s TYR 111 Cb -0.11 -1.15 -0.02 0.00 -0.11 0.00 0.00 41.96 40.58 2k4j s TYR 111 CO 0.21 -0.56 1.02 0.21 -1.11 0.00 0.00 175.55 175.32 2k4j s LYS 112 N 1.75 4.44 0.36 -0.62 2.36 0.71 -0.73 119.74 128.01 2k4j s LYS 112 Ca 0.01 1.43 0.06 0.00 -2.55 0.00 0.00 55.97 54.92 2k4j s LYS 112 Cb -0.15 -3.52 -0.07 0.00 -1.05 0.00 0.00 37.83 33.03 2k4j s LYS 112 CO -0.07 -0.27 0.02 -1.17 1.55 0.00 0.00 175.35 175.41 2k4j s LEU 113 N 1.81 2.54 0.03 5.43 0.20 -0.21 -0.75 118.68 127.73 2k4j s LEU 113 Ca 0.50 -1.35 -0.12 0.00 0.69 0.00 0.00 54.13 53.85 2k4j s LEU 113 Cb -0.20 -0.66 0.01 0.00 -0.43 0.00 0.00 46.19 44.92 2k4j s LEU 113 CO 0.21 -0.50 0.25 -1.83 -0.29 0.00 0.00 176.35 174.18 2k4j s GLU 114 N -3.79 0.70 0.00 1.98 -1.05 -1.25 -2.12 118.70 113.18 2k4j s GLU 114 Ca 0.35 -0.48 0.23 0.00 -0.15 0.00 0.00 54.97 54.93 2k4j s GLU 114 Cb 0.09 0.30 0.19 0.00 -0.44 0.00 0.00 34.13 34.26 2k4j s GLU 114 CO 0.16 -0.21 1.24 0.98 0.95 0.00 0.00 175.26 178.39