#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 s SER 2 N 0.00 6.60 -0.36 3.17 0.01 -1.26 -4.99 113.70 116.87 2kb3 s SER 2 Ca 0.00 2.79 -0.10 0.00 1.31 0.00 0.00 55.95 59.95 2kb3 s SER 2 Cb 0.00 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.60 2kb3 s SER 2 CO 0.00 -0.66 0.19 -0.62 0.41 0.00 0.00 173.24 172.56 2kb3 s ASP 3 N -0.41 5.67 0.04 2.44 2.15 -1.26 -5.06 116.67 120.24 2kb3 s ASP 3 Ca 0.51 -0.93 0.09 0.00 0.43 0.00 0.00 52.55 52.64 2kb3 s ASP 3 Cb -0.42 -2.01 -0.03 0.00 -0.30 0.00 0.00 42.92 40.17 2kb3 s ASP 3 CO 0.56 -0.35 -0.26 0.20 -0.17 0.00 0.00 175.17 175.15 2kb3 s ASN 4 N 1.55 3.06 -0.05 -0.34 0.01 -1.26 -5.13 114.94 112.78 2kb3 s ASN 4 Ca 0.02 -0.56 0.03 0.00 -0.71 0.00 0.00 52.86 51.64 2kb3 s ASN 4 Cb -0.19 -0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.19 2kb3 s ASN 4 CO 0.06 0.26 -0.14 0.20 -1.51 0.00 0.00 177.10 175.97 2kb3 s ASN 5 N -1.14 1.84 0.03 -1.22 0.01 -1.26 -5.09 114.94 108.12 2kb3 s ASN 5 Ca 0.11 -0.30 -0.30 0.00 -0.71 0.00 0.00 52.86 51.66 2kb3 s ASN 5 Cb -0.10 -0.60 -0.08 0.00 0.41 0.00 0.00 41.25 40.88 2kb3 s ASN 5 CO 0.02 0.10 1.87 -0.83 -1.51 0.00 0.00 177.10 176.74 2kb3 s GLY 6 N 0.24 1.46 -0.03 0.66 0.00 -1.26 -4.97 107.32 103.42 2kb3 s GLY 6 Ca -0.07 1.25 -0.18 0.00 0.00 0.00 0.00 44.72 45.73 2kb3 s GLY 6 CO 0.02 3.31 0.51 -1.08 0.00 0.00 0.00 173.10 175.86 2kb3 s THR 7 N 4.04 5.01 0.07 0.90 -1.32 -1.26 -5.05 115.64 118.04 2kb3 s THR 7 Ca 0.83 1.06 -0.30 0.00 -1.21 0.00 0.00 61.69 62.07 2kb3 s THR 7 Cb -0.41 -3.84 -0.05 0.00 -1.51 0.00 0.00 72.50 66.69 2kb3 s THR 7 CO 0.38 0.43 1.02 -2.16 -2.21 0.00 0.00 174.62 172.08 2kb3 s PRO 8 N -0.19 4.60 -0.05 7.08 0.04 -1.26 -5.02 135.00 140.19 2kb3 s PRO 8 Ca 0.28 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 2kb3 s PRO 8 Cb -0.17 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 2kb3 s PRO 8 CO 0.14 0.03 0.98 -1.21 0.04 0.00 0.00 177.00 176.99 2kb3 s GLU 9 N 0.45 4.49 0.26 4.56 0.41 -1.26 -4.99 118.70 122.63 2kb3 s GLU 9 Ca 0.51 1.38 -0.30 0.00 -0.41 0.00 0.00 54.97 56.15 2kb3 s GLU 9 Cb -0.24 -3.50 -0.11 0.00 -1.78 0.00 0.00 34.13 28.50 2kb3 s GLU 9 CO 0.30 -0.16 1.54 -1.25 -0.49 0.00 0.00 175.26 175.19 2kb3 s PRO 10 N 1.44 4.19 -0.09 0.39 0.04 -1.26 -4.97 135.00 134.73 2kb3 s PRO 10 Ca 0.50 2.45 -0.17 0.00 0.04 0.00 0.00 61.00 63.82 2kb3 s PRO 10 Cb -0.20 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 2kb3 s PRO 10 CO 0.23 -0.55 0.45 -0.65 0.04 0.00 0.00 177.00 176.52 2kb3 s GLN 11 N -0.28 4.24 -0.23 4.56 -1.52 -1.26 -5.04 119.66 120.14 2kb3 s GLN 11 Ca 0.63 0.42 -0.06 0.00 -1.95 0.00 0.00 55.36 54.40 2kb3 s GLN 11 Cb -0.45 -3.38 -0.02 0.00 -0.22 0.00 0.00 33.01 28.93 2kb3 s GLN 11 CO 0.44 0.29 0.02 0.08 -0.25 0.00 0.00 175.29 175.88 2kb3 s VAL 12 N 0.20 3.96 -0.05 1.09 1.01 -1.26 -5.06 120.40 120.27 2kb3 s VAL 12 Ca 0.25 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.96 2kb3 s VAL 12 Cb -0.15 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2kb3 s VAL 12 CO 0.11 0.38 -0.15 -0.70 0.00 0.00 0.00 175.10 174.74 2kb3 s GLU 13 N 1.46 1.72 0.60 2.72 2.56 -1.26 -5.20 118.70 121.30 2kb3 s GLU 13 Ca 0.05 -0.51 -0.07 0.00 0.00 0.00 0.00 54.97 54.44 2kb3 s GLU 13 Cb -0.15 -1.45 -0.00 0.00 2.00 0.00 0.00 34.13 34.53 2kb3 s GLU 13 CO 0.01 0.14 0.94 0.99 -0.56 0.00 0.00 175.26 176.77 2kb3 s THR 14 N 0.33 3.89 0.01 -1.70 2.01 -1.26 -5.09 115.64 113.83 2kb3 s THR 14 Ca -0.09 0.21 -0.14 0.00 0.31 0.00 0.00 61.69 61.98 2kb3 s THR 14 Cb -0.13 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.85 2kb3 s THR 14 CO 0.03 -0.61 0.31 -0.44 -0.69 0.00 0.00 174.62 173.21 2kb3 s SER 16 N -4.28 -0.16 -0.34 3.53 0.01 -1.26 -4.78 113.70 106.42 2kb3 s SER 16 Ca 0.54 -0.04 -0.21 0.00 1.31 0.00 0.00 55.95 57.54 2kb3 s SER 16 Cb -0.11 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2kb3 s SER 16 CO 0.47 -0.53 0.69 -0.69 0.41 0.00 0.00 173.24 173.60 2kb3 s VAL 17 N -1.90 4.85 -0.16 3.43 1.01 -1.26 -4.46 120.40 121.90 2kb3 s VAL 17 Ca -0.10 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 2kb3 s VAL 17 Cb -0.03 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2kb3 s VAL 17 CO 0.01 -0.30 -0.08 0.12 0.00 0.00 0.00 175.10 174.85 2kb3 s PHE 18 N 2.82 2.92 -0.03 5.22 2.19 -1.01 -5.09 117.98 124.99 2kb3 s PHE 18 Ca 0.27 -0.60 0.05 0.00 0.33 0.00 0.00 56.93 56.98 2kb3 s PHE 18 Cb -0.14 -1.95 -0.01 0.00 -1.31 0.00 0.00 43.02 39.61 2kb3 s PHE 18 CO 0.14 -0.24 -0.17 1.03 1.83 0.00 0.00 175.22 177.82 2kb3 s ARG 19 N 0.64 1.61 0.09 10.12 0.52 -1.26 -4.66 118.95 126.01 2kb3 s ARG 19 Ca -0.04 -0.60 -0.04 0.00 -0.52 0.00 0.00 55.73 54.52 2kb3 s ARG 19 Cb -0.15 -1.46 -0.03 0.00 0.52 0.00 0.00 34.95 33.84 2kb3 s ARG 19 CO 0.03 0.29 0.08 0.00 0.02 0.00 0.00 175.30 175.71 2kb3 s ALA 20 N -0.12 0.34 -2.00 2.13 0.00 -1.26 -5.02 121.76 115.83 2kb3 s ALA 20 Ca 0.00 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.92 2kb3 s ALA 20 Cb -0.10 0.52 0.20 0.00 0.00 0.00 0.00 23.12 23.74 2kb3 s ALA 20 CO 0.01 -0.46 0.60 -0.40 0.00 0.00 0.00 175.76 175.51 2kb3 n ASP 21 N -0.01 0.00 -0.08 0.00 5.68 -1.26 -3.65 116.55 117.22 2kb3 n ASP 21 Ca -0.12 -0.70 0.07 0.00 -0.50 0.00 0.00 54.79 53.55 2kb3 n ASP 21 Cb 0.62 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 41.03 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 2kb3 h LEU 22 N 0.00 0.48 -1.52 -2.12 8.10 -1.95 -1.04 115.31 117.26 2kb3 h LEU 22 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kb3 h LEU 22 Cb 0.00 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.11 2kb3 h LEU 22 CO 0.00 0.32 0.00 0.17 -4.11 0.00 0.00 178.44 174.82 2kb3 h LEU 23 N 0.56 0.00 0.00 0.17 8.10 -1.96 0.23 115.31 122.41 2kb3 h LEU 23 Ca 0.24 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.14 2kb3 h LEU 23 Cb 0.24 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.44 2kb3 h LEU 23 CO -0.07 0.00 -1.22 1.17 -4.11 0.00 0.00 178.44 174.22 2kb3 n LYS 24 N -3.04 0.61 -0.11 0.17 3.00 -0.42 -4.40 118.16 113.97 2kb3 n LYS 24 Ca 0.00 0.17 -0.22 0.00 -0.00 0.00 0.00 58.31 58.27 2kb3 n LYS 24 Cb 0.29 -1.82 -0.12 0.00 0.00 0.00 0.00 35.03 33.38 2kb3 n LYS 24 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2kb3 n GLU 25 N -2.79 0.65 0.00 1.64 2.13 -0.73 -4.42 120.64 117.12 2kb3 n GLU 25 Ca -0.05 0.21 0.06 0.00 0.66 0.00 0.00 57.16 58.05 2kb3 n GLU 25 Cb 0.70 -1.55 0.37 0.00 0.27 0.00 0.00 31.44 31.23 2kb3 n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kb3 n MET 26 N -3.58 0.36 0.17 5.31 0.00 0.74 -2.91 117.12 117.20 2kb3 n MET 26 Ca -0.46 0.04 0.14 0.00 0.00 0.00 0.00 57.70 57.43 2kb3 n MET 26 Cb 0.96 -1.50 0.72 0.00 0.00 0.00 0.00 33.22 33.40 2kb3 n MET 26 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2kb3 h GLU 27 N 0.00 0.00 -0.36 3.17 4.39 -1.77 -2.04 114.58 117.97 2kb3 h GLU 27 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kb3 h GLU 27 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2kb3 h GLU 27 CO 0.00 0.00 0.13 0.66 -1.16 0.00 0.00 179.01 178.64 2kb3 h SER 28 N 0.00 0.51 1.88 1.42 4.64 -1.87 -2.97 113.55 117.15 2kb3 h SER 28 Ca 0.10 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2kb3 h SER 28 Cb 0.42 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2kb3 h SER 28 CO -0.00 0.55 0.00 0.77 -0.87 0.00 0.00 176.83 177.28 2kb3 h SER 29 N 0.43 0.00 -1.85 4.97 4.64 -1.65 -3.38 113.55 116.71 2kb3 h SER 29 Ca 0.12 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.70 2kb3 h SER 29 Cb 0.21 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.15 2kb3 h SER 29 CO -0.01 0.00 1.60 0.41 -0.87 0.00 0.00 176.83 177.96 2kb3 n THR 30 N -2.99 4.21 0.00 2.95 -1.04 -1.03 -4.64 114.28 111.74 2kb3 n THR 30 Ca 0.04 -4.57 0.00 0.00 -2.04 0.00 0.00 64.05 57.48 2kb3 n THR 30 Cb 0.50 -2.44 0.00 0.00 -1.82 0.00 0.00 70.33 66.57 2kb3 n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb3 n GLY 31 N 4.06 1.76 3.57 3.41 0.00 -1.26 -4.95 105.19 111.78 2kb3 n GLY 31 Ca 0.39 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 2kb3 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 32 N 1.51 5.30 -0.17 2.61 2.01 -1.26 -5.04 115.64 120.60 2kb3 s THR 32 Ca 0.00 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 2kb3 s THR 32 Cb 0.00 -3.59 0.05 0.00 0.01 0.00 0.00 72.50 68.96 2kb3 s THR 32 CO 0.00 0.16 -0.04 0.00 -0.69 0.00 0.00 174.62 174.05 2kb3 s ALA 33 N 1.76 1.45 0.63 7.40 0.00 -1.26 -5.13 121.76 126.60 2kb3 s ALA 33 Ca 0.07 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 51.05 2kb3 s ALA 33 Cb -0.16 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 2kb3 s ALA 33 CO 0.11 -0.86 1.05 -1.25 0.00 0.00 0.00 175.76 174.81 2kb3 s PRO 34 N 1.65 3.28 -0.11 0.00 0.04 -1.26 -5.01 135.00 133.58 2kb3 s PRO 34 Ca -0.00 1.03 -0.28 0.00 0.04 0.00 0.00 61.00 61.79 2kb3 s PRO 34 Cb -0.16 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2kb3 s PRO 34 CO -0.07 -0.83 0.92 0.00 0.04 0.00 0.00 177.00 177.05 2kb3 s ALA 35 N -2.78 3.41 -0.26 8.56 0.00 -1.26 -4.97 121.76 124.46 2kb3 s ALA 35 Ca 0.60 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 2kb3 s ALA 35 Cb -0.14 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2kb3 s ALA 35 CO 0.45 -0.54 1.56 -1.12 0.00 0.00 0.00 175.76 176.12 2kb3 s SER 36 N 1.08 6.37 -0.08 0.00 0.01 -1.26 -4.98 113.70 114.83 2kb3 s SER 36 Ca 0.44 1.44 -0.08 0.00 1.31 0.00 0.00 55.95 59.07 2kb3 s SER 36 Cb -0.18 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 2kb3 s SER 36 CO 0.17 -1.29 0.20 0.42 0.41 0.00 0.00 173.24 173.14 2kb3 s THR 37 N 5.27 5.41 0.00 1.44 -4.23 -1.26 -4.43 115.64 117.84 2kb3 s THR 37 Ca 0.69 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.49 2kb3 s THR 37 Cb -0.22 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.15 2kb3 s THR 37 CO 0.29 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.56 2kb3 n GLY 38 N 1.83 0.46 0.11 3.99 0.00 -1.26 -4.86 105.19 105.46 2kb3 n GLY 38 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 2kb3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 h ALA 39 N 0.00 0.64 0.00 4.61 0.00 -1.85 -2.81 119.26 119.85 2kb3 h ALA 39 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 2kb3 h ALA 39 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2kb3 h ALA 39 CO 0.00 0.97 -0.23 0.93 0.00 0.00 0.00 179.25 180.91 2kb3 h GLU 40 N 0.04 0.00 0.00 0.00 3.07 -1.93 -1.41 114.58 114.35 2kb3 h GLU 40 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2kb3 h GLU 40 Cb 1.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.34 2kb3 h GLU 40 CO 0.11 0.23 -0.40 -1.71 -1.40 0.00 0.00 179.01 175.84 2kb3 n ASN 41 N -3.49 0.64 -2.47 1.42 2.85 -1.07 -5.01 115.26 108.12 2kb3 n ASN 41 Ca -0.00 0.22 -0.00 0.00 -0.11 0.00 0.00 54.58 54.68 2kb3 n ASN 41 Cb 0.40 -0.12 -0.00 0.00 1.24 0.00 0.00 39.78 41.29 2kb3 n ASN 41 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2kb3 n LEU 42 N -2.01 -6.71 0.02 1.20 4.77 -0.53 -4.98 117.00 108.76 2kb3 n LEU 42 Ca 0.04 1.24 -0.02 0.00 -0.03 0.00 0.00 56.01 57.25 2kb3 n LEU 42 Cb 0.41 -2.90 -0.01 0.00 -2.33 0.00 0.00 43.42 38.60 2kb3 n LEU 42 CO 0.34 -2.68 0.50 1.55 -1.33 0.00 0.00 177.39 175.77 2kb3 h PRO 43 N 2.55 -0.07 0.00 3.23 0.13 -1.81 -3.41 132.00 132.61 2kb3 h PRO 43 Ca -0.05 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2kb3 h PRO 43 Cb 0.11 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.26 2kb3 h PRO 43 CO 0.07 -0.05 -0.19 0.00 -0.23 0.00 0.00 178.00 177.60 2kb3 n ALA 44 N -2.40 1.64 0.00 -0.56 0.00 -1.26 -4.97 120.51 112.96 2kb3 n ALA 44 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2kb3 n ALA 44 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.30 2kb3 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb3 n GLY 45 N 0.00 2.49 3.05 0.00 0.00 -1.26 -4.96 105.19 104.51 2kb3 n GLY 45 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2kb3 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 s SER 46 N -2.92 0.69 0.08 1.61 0.01 -1.26 -4.91 113.70 107.00 2kb3 s SER 46 Ca 0.00 -0.62 -0.16 0.00 1.31 0.00 0.00 55.95 56.48 2kb3 s SER 46 Cb 0.00 0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.33 2kb3 s SER 46 CO 0.00 -0.29 0.38 0.00 0.41 0.00 0.00 173.24 173.74 2kb3 s ALA 47 N -1.85 -0.87 0.18 1.44 0.00 -1.24 -4.65 121.76 114.78 2kb3 s ALA 47 Ca -0.08 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.02 2kb3 s ALA 47 Cb -0.07 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 2kb3 s ALA 47 CO -0.01 -0.53 -0.17 -0.48 0.00 0.00 0.00 175.76 174.57 2kb3 s LEU 48 N -2.39 2.48 -0.05 0.00 0.05 0.68 -0.19 118.68 119.26 2kb3 s LEU 48 Ca -0.01 -0.91 0.04 0.00 0.05 0.00 0.00 54.13 53.29 2kb3 s LEU 48 Cb 0.01 -0.80 -0.02 0.00 -2.05 0.00 0.00 46.19 43.33 2kb3 s LEU 48 CO -0.07 -0.07 -0.16 -1.48 -0.55 0.00 0.00 176.35 174.03 2kb3 s LEU 49 N -2.88 2.65 -0.04 1.48 0.05 -0.29 -0.09 118.68 119.57 2kb3 s LEU 49 Ca 0.18 -0.24 0.02 0.00 0.05 0.00 0.00 54.13 54.15 2kb3 s LEU 49 Cb -0.04 -1.53 0.01 0.00 -2.05 0.00 0.00 46.19 42.57 2kb3 s LEU 49 CO 0.07 0.33 -0.10 0.54 -0.55 0.00 0.00 176.35 176.64 2kb3 s VAL 50 N -0.64 0.87 -0.21 1.48 0.11 0.37 -0.43 120.40 121.95 2kb3 s VAL 50 Ca 0.10 -0.38 -0.29 0.00 -2.93 0.00 0.00 61.98 58.47 2kb3 s VAL 50 Cb -0.11 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 2kb3 s VAL 50 CO 0.01 0.28 1.28 -0.69 -3.33 0.00 0.00 175.10 172.64 2kb3 s VAL 51 N 0.35 4.24 -0.08 2.04 1.01 -0.16 -0.17 120.40 127.63 2kb3 s VAL 51 Ca -0.06 1.47 -0.17 0.00 0.00 0.00 0.00 61.98 63.21 2kb3 s VAL 51 Cb -0.11 -4.04 -0.29 0.00 0.00 0.00 0.00 36.38 31.94 2kb3 s VAL 51 CO 0.01 -0.24 0.68 0.50 0.00 0.00 0.00 175.10 176.06 2kb3 h LYS 52 N 8.56 0.29 -3.22 2.72 1.63 -1.26 -0.51 116.57 124.78 2kb3 h LYS 52 Ca -0.26 -0.50 -0.21 0.00 -0.85 0.00 0.00 60.65 58.83 2kb3 h LYS 52 Cb 1.10 0.18 -0.29 0.00 -0.60 0.00 0.00 32.23 32.62 2kb3 h LYS 52 CO 0.99 1.24 -0.54 0.50 -3.45 0.00 0.00 179.45 178.18 2kb3 s ARG 53 N -2.48 0.16 0.00 1.90 3.52 -0.79 -4.73 118.95 116.52 2kb3 s ARG 53 Ca -0.17 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 2kb3 s ARG 53 Cb 0.04 -0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 2kb3 s ARG 53 CO 0.80 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 175.59 2kb3 n GLY 54 N 3.78 1.23 0.27 8.12 0.00 -1.26 -1.61 105.19 115.72 2kb3 n GLY 54 Ca -0.21 -1.46 0.15 0.00 0.00 0.00 0.00 46.02 44.51 2kb3 n GLY 54 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kb3 h PRO 55 N 0.00 0.00 -0.63 1.61 0.11 -2.01 -2.14 132.00 128.94 2kb3 h PRO 55 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 2kb3 h PRO 55 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 2kb3 h PRO 55 CO 0.00 0.07 0.12 0.27 -0.21 0.00 0.00 178.00 178.25 2kb3 n ASN 56 N -3.24 5.24 -4.77 -2.05 6.94 -1.26 -4.99 115.26 111.13 2kb3 n ASN 56 Ca -0.00 -3.08 -0.40 0.00 -0.02 0.00 0.00 54.58 51.07 2kb3 n ASN 56 Cb 0.30 -0.71 0.01 0.00 -2.36 0.00 0.00 39.78 37.02 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb3 n ALA 57 N 0.20 2.20 -0.07 -2.53 0.00 -0.81 -2.41 120.51 117.09 2kb3 n ALA 57 Ca 0.34 0.29 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2kb3 n ALA 57 Cb 1.27 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2kb3 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb3 n GLY 58 N 0.52 0.89 3.69 0.00 0.00 -0.20 -4.98 105.19 105.12 2kb3 n GLY 58 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2kb3 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 s ALA 59 N -2.38 3.34 -0.07 4.61 0.00 -1.01 -4.85 121.76 121.39 2kb3 s ALA 59 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.41 2kb3 s ALA 59 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2kb3 s ALA 59 CO 0.00 -0.50 -0.18 -0.98 0.00 0.00 0.00 175.76 174.10 2kb3 s ARG 60 N 1.72 2.66 -0.14 0.00 1.04 -1.26 -0.99 118.95 121.98 2kb3 s ARG 60 Ca 0.49 -0.77 -0.01 0.00 -1.04 0.00 0.00 55.73 54.40 2kb3 s ARG 60 Cb -0.19 -2.34 0.04 0.00 -2.04 0.00 0.00 34.95 30.42 2kb3 s ARG 60 CO 0.21 0.47 -0.04 -0.06 -0.04 0.00 0.00 175.30 175.84 2kb3 s PHE 61 N -0.34 1.43 -0.27 5.89 0.08 0.43 -4.97 117.98 120.22 2kb3 s PHE 61 Ca 0.03 -0.85 -0.26 0.00 0.12 0.00 0.00 56.93 55.97 2kb3 s PHE 61 Cb -0.12 -1.19 0.00 0.00 -0.57 0.00 0.00 43.02 41.14 2kb3 s PHE 61 CO 0.02 -0.55 0.89 -1.17 -0.10 0.00 0.00 175.22 174.31 2kb3 s LEU 62 N 1.72 4.06 -0.16 -0.37 2.96 -1.26 -1.13 118.68 124.50 2kb3 s LEU 62 Ca 0.02 0.97 -0.22 0.00 -0.22 0.00 0.00 54.13 54.67 2kb3 s LEU 62 Cb -0.14 -3.26 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 2kb3 s LEU 62 CO -0.07 -0.63 0.69 -0.76 -1.32 0.00 0.00 176.35 174.26 2kb3 s LEU 63 N 3.07 4.20 0.00 -0.68 1.43 0.74 -4.84 118.68 122.59 2kb3 s LEU 63 Ca 0.37 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 2kb3 s LEU 63 Cb -0.14 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.06 2kb3 s LEU 63 CO 0.10 -0.26 0.05 -0.67 0.23 0.00 0.00 176.35 175.80 2kb3 n ASP 64 N 4.76 0.09 -4.72 2.29 2.03 -1.26 -3.61 116.55 116.13 2kb3 n ASP 64 Ca 0.00 -0.94 -0.30 0.00 0.52 0.00 0.00 54.79 54.07 2kb3 n ASP 64 Cb 0.50 0.01 -0.07 0.00 -0.72 0.00 0.00 41.12 40.83 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb3 s GLN 65 N -0.01 2.68 0.59 -0.67 0.00 -1.26 -5.01 119.66 115.98 2kb3 s GLN 65 Ca 0.00 -0.79 0.37 0.00 -0.00 0.00 0.00 55.36 54.94 2kb3 s GLN 65 Cb 0.00 -2.61 1.82 0.00 0.00 0.00 0.00 33.01 32.22 2kb3 s GLN 65 CO 0.00 0.54 2.16 -1.35 0.00 0.00 0.00 175.29 176.64 2kb3 h PRO 66 N 3.32 0.00 -2.98 9.60 0.11 -1.92 -3.37 132.00 136.76 2kb3 h PRO 66 Ca -0.47 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.40 2kb3 h PRO 66 Cb 1.17 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.95 2kb3 h PRO 66 CO 0.62 0.02 -0.55 0.99 -0.21 0.00 0.00 178.00 178.87 2kb3 s THR 67 N -3.96 -0.28 -0.21 -1.15 2.01 -1.25 -1.09 115.64 109.71 2kb3 s THR 67 Ca -0.02 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.26 2kb3 s THR 67 Cb 0.11 -0.38 0.05 0.00 0.01 0.00 0.00 72.50 72.29 2kb3 s THR 67 CO 0.50 0.11 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.55 2kb3 s THR 68 N 2.09 1.73 -0.03 -0.82 2.01 0.93 -4.95 115.64 116.60 2kb3 s THR 68 Ca -0.01 -1.14 -0.14 0.00 0.31 0.00 0.00 61.69 60.71 2kb3 s THR 68 Cb -0.12 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 2kb3 s THR 68 CO -0.08 0.11 0.38 -0.89 -0.69 0.00 0.00 174.62 173.45 2kb3 s THR 69 N 1.34 5.10 -0.06 -0.82 2.01 -1.26 0.08 115.64 122.04 2kb3 s THR 69 Ca -0.03 0.76 0.05 0.00 0.31 0.00 0.00 61.69 62.79 2kb3 s THR 69 Cb -0.17 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 2kb3 s THR 69 CO -0.08 0.56 -0.23 0.00 -0.69 0.00 0.00 174.62 174.18 2kb3 s ALA 70 N -0.87 2.25 0.00 7.40 0.00 0.76 -1.89 121.76 129.41 2kb3 s ALA 70 Ca 0.22 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2kb3 s ALA 70 Cb -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2kb3 s ALA 70 CO 0.12 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.70 2kb3 n GLY 71 N 2.93 0.13 3.15 0.00 0.00 -1.22 -1.21 105.19 108.96 2kb3 n GLY 71 Ca -0.17 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 2kb3 n GLY 71 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kb3 s ARG 72 N -2.00 3.04 0.05 1.61 1.70 -0.17 -3.89 118.95 119.29 2kb3 s ARG 72 Ca 0.00 -0.81 -0.28 0.00 -0.47 0.00 0.00 55.73 54.17 2kb3 s ARG 72 Cb 0.00 -2.59 0.09 0.00 -0.57 0.00 0.00 34.95 31.88 2kb3 s ARG 72 CO 0.00 -0.17 0.92 -3.38 -1.08 0.00 0.00 175.30 171.59 2kb3 s HIS 73 N 1.21 -0.27 0.21 5.89 -3.43 -1.26 -3.95 115.29 113.69 2kb3 s HIS 73 Ca 0.03 0.08 -0.09 0.00 -0.80 0.00 0.00 55.06 54.28 2kb3 s HIS 73 Cb -0.14 0.57 0.30 0.00 -1.43 0.00 0.00 32.58 31.89 2kb3 s HIS 73 CO -0.10 -0.63 1.72 -1.35 -2.00 0.00 0.00 174.74 172.38 2kb3 h PRO 74 N 2.00 0.32 -0.77 -0.38 0.11 -1.97 -1.71 132.00 129.60 2kb3 h PRO 74 Ca -0.23 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 2kb3 h PRO 74 Cb 1.24 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2kb3 h PRO 74 CO 0.29 0.21 0.02 -0.85 -0.21 0.00 0.00 178.00 177.46 2kb3 n GLU 75 N -5.07 3.24 -1.63 1.05 0.00 -1.26 -4.91 120.64 112.06 2kb3 n GLU 75 Ca 0.09 -1.86 -0.44 0.00 0.00 0.00 0.00 57.16 54.95 2kb3 n GLU 75 Cb 0.31 -1.94 -0.03 0.00 0.00 0.00 0.00 31.44 29.77 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2kb3 n SER 76 N 0.33 3.69 0.10 -1.84 3.41 -0.65 -4.81 113.62 113.85 2kb3 n SER 76 Ca 0.17 0.66 -0.21 0.00 -0.26 0.00 0.00 58.87 59.23 2kb3 n SER 76 Cb 0.83 -1.51 -0.13 0.00 -0.26 0.00 0.00 64.21 63.15 2kb3 n SER 76 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2kb3 h ASP 77 N 12.01 0.79 -3.61 4.04 1.82 -1.72 -3.42 116.42 126.33 2kb3 h ASP 77 Ca -0.46 -0.76 -0.64 0.00 -0.39 0.00 0.00 57.03 54.78 2kb3 h ASP 77 Cb 1.25 -0.25 -0.21 0.00 0.68 0.00 0.00 39.33 40.80 2kb3 h ASP 77 CO 0.95 1.57 -0.61 -0.63 -1.61 0.00 0.00 179.24 178.91 2kb3 s ILE 78 N -2.91 4.47 -0.17 2.25 -1.09 -0.85 -5.00 121.20 117.90 2kb3 s ILE 78 Ca -0.08 -0.12 -0.22 0.00 -2.23 0.00 0.00 60.65 57.99 2kb3 s ILE 78 Cb 0.06 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.83 2kb3 s ILE 78 CO 0.93 0.35 0.67 0.12 -1.23 0.00 0.00 174.94 175.78 2kb3 s PHE 79 N 1.40 3.42 -0.00 3.97 5.36 -1.26 -3.44 117.98 127.42 2kb3 s PHE 79 Ca 0.05 1.04 0.05 0.00 -0.96 0.00 0.00 56.93 57.12 2kb3 s PHE 79 Cb -0.15 -2.83 -0.01 0.00 -0.34 0.00 0.00 43.02 39.69 2kb3 s PHE 79 CO 0.04 -0.13 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.99 2kb3 s LEU 80 N 1.73 2.06 -0.00 6.12 1.43 -1.25 -4.93 118.68 123.84 2kb3 s LEU 80 Ca 0.32 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2kb3 s LEU 80 Cb -0.16 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 2kb3 s LEU 80 CO 0.12 0.19 -0.12 -0.62 0.23 0.00 0.00 176.35 176.14 2kb3 s ASP 81 N -0.52 1.45 0.30 2.29 2.15 -1.26 -4.58 116.67 116.50 2kb3 s ASP 81 Ca 0.06 -0.25 -0.19 0.00 0.43 0.00 0.00 52.55 52.61 2kb3 s ASP 81 Cb -0.07 -0.15 0.06 0.00 -0.30 0.00 0.00 42.92 42.46 2kb3 s ASP 81 CO -0.00 0.14 0.89 -0.62 -0.17 0.00 0.00 175.17 175.40 2kb3 s ASP 82 N -0.38 -0.01 0.25 -0.34 2.15 -1.26 -4.34 116.67 112.75 2kb3 s ASP 82 Ca 0.04 -0.93 0.01 0.00 0.43 0.00 0.00 52.55 52.10 2kb3 s ASP 82 Cb -0.05 0.71 0.32 0.00 -0.30 0.00 0.00 42.92 43.59 2kb3 s ASP 82 CO -0.00 -1.40 1.66 0.58 -0.17 0.00 0.00 175.17 175.84 2kb3 h VAL 83 N 2.00 1.28 -2.61 1.11 2.07 -2.05 -3.38 116.25 114.68 2kb3 h VAL 83 Ca -0.30 -1.41 -0.47 0.00 0.82 0.00 0.00 66.70 65.34 2kb3 h VAL 83 Cb 1.24 1.44 -0.38 0.00 -1.52 0.00 0.00 31.29 32.06 2kb3 h VAL 83 CO 0.38 0.45 -0.74 -0.89 0.02 0.00 0.00 177.57 176.78 2kb3 s THR 84 N -4.39 -0.16 -0.12 2.57 2.01 -1.26 -5.12 115.64 109.18 2kb3 s THR 84 Ca -0.07 -0.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 2kb3 s THR 84 Cb 0.13 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 2kb3 s THR 84 CO 0.81 -0.66 0.19 -0.69 -0.69 0.00 0.00 174.62 173.58 2kb3 s VAL 85 N 2.16 5.40 0.52 3.82 1.01 -1.26 -4.75 120.40 127.29 2kb3 s VAL 85 Ca 0.09 0.34 -0.19 0.00 0.00 0.00 0.00 61.98 62.22 2kb3 s VAL 85 Cb -0.15 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 2kb3 s VAL 85 CO -0.35 0.56 1.06 -0.55 0.00 0.00 0.00 175.10 175.82 2kb3 s SER 86 N -0.66 6.10 0.14 3.32 0.15 -1.26 -4.76 113.70 116.73 2kb3 s SER 86 Ca 0.15 1.97 -0.17 0.00 0.70 0.00 0.00 55.95 58.61 2kb3 s SER 86 Cb -0.13 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.61 2kb3 s SER 86 CO 0.04 -0.95 1.74 0.08 1.20 0.00 0.00 173.24 175.36 2kb3 h ARG 87 N 1.30 0.51 -3.58 5.44 0.11 -1.87 -0.43 114.38 115.86 2kb3 h ARG 87 Ca -0.49 -0.06 -0.48 0.00 0.10 0.00 0.00 59.98 59.04 2kb3 h ARG 87 Cb 1.23 -0.10 -0.39 0.00 1.11 0.00 0.00 29.97 31.82 2kb3 h ARG 87 CO 0.58 0.42 -0.76 1.03 0.10 0.00 0.00 179.97 181.34 2kb3 s ARG 88 N -5.86 0.61 -0.26 0.08 0.52 -1.26 -2.94 118.95 109.84 2kb3 s ARG 88 Ca -0.13 -0.20 -0.15 0.00 -0.52 0.00 0.00 55.73 54.73 2kb3 s ARG 88 Cb 0.10 -1.67 -0.11 0.00 0.52 0.00 0.00 34.95 33.79 2kb3 s ARG 88 CO 0.73 -0.51 -0.32 1.58 0.02 0.00 0.00 175.30 176.79 2kb3 n HIS 89 N 5.10 0.07 -3.75 -0.53 -0.00 -0.35 -3.96 115.22 111.79 2kb3 n HIS 89 Ca -0.08 0.03 -0.10 0.00 -0.00 0.00 0.00 57.72 57.57 2kb3 n HIS 89 Cb 0.48 -0.92 -0.05 0.00 -0.00 0.00 0.00 29.99 29.51 2kb3 n HIS 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb3 s ALA 90 N -2.57 -0.76 0.03 1.57 0.00 -1.07 -0.89 121.76 118.06 2kb3 s ALA 90 Ca -0.36 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.30 2kb3 s ALA 90 Cb 0.12 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 24.04 2kb3 s ALA 90 CO 0.48 -0.74 -0.05 -1.83 0.00 0.00 0.00 175.76 173.63 2kb3 s GLU 91 N -3.87 0.39 -0.15 0.00 -1.05 0.54 -0.17 118.70 114.38 2kb3 s GLU 91 Ca 0.09 -0.57 -0.06 0.00 -0.15 0.00 0.00 54.97 54.29 2kb3 s GLU 91 Cb 0.00 -0.14 -0.04 0.00 -0.44 0.00 0.00 34.13 33.52 2kb3 s GLU 91 CO -0.05 0.02 0.04 -0.06 0.95 0.00 0.00 175.26 176.16 2kb3 s PHE 92 N -1.14 3.24 -0.18 4.83 0.08 0.11 -0.69 117.98 124.24 2kb3 s PHE 92 Ca -0.10 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.06 2kb3 s PHE 92 Cb -0.08 -1.98 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2kb3 s PHE 92 CO -0.00 0.26 -0.17 1.03 -0.10 0.00 0.00 175.22 176.24 2kb3 s ARG 93 N -0.07 3.09 -0.24 0.44 0.52 0.85 -0.05 118.95 123.49 2kb3 s ARG 93 Ca 0.06 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.50 2kb3 s ARG 93 Cb -0.12 -2.63 0.05 0.00 0.52 0.00 0.00 34.95 32.78 2kb3 s ARG 93 CO 0.01 -0.14 -0.11 0.42 0.02 0.00 0.00 175.30 175.51 2kb3 s ILE 94 N 1.16 2.03 -0.03 1.52 1.01 -0.25 0.06 121.20 126.70 2kb3 s ILE 94 Ca 0.01 -1.46 -0.01 0.00 0.00 0.00 0.00 60.65 59.20 2kb3 s ILE 94 Cb -0.14 -2.12 0.03 0.00 0.01 0.00 0.00 42.46 40.23 2kb3 s ILE 94 CO -0.07 0.03 0.03 0.20 0.00 0.00 0.00 174.94 175.13 2kb3 s ASN 95 N 1.18 0.63 -1.52 3.58 -0.87 0.18 -3.89 114.94 114.22 2kb3 s ASN 95 Ca -0.07 0.03 -0.13 0.00 -1.57 0.00 0.00 52.86 51.12 2kb3 s ASN 95 Cb -0.19 -0.15 0.08 0.00 -0.02 0.00 0.00 41.25 40.97 2kb3 s ASN 95 CO -0.06 -0.17 0.99 -0.62 -2.57 0.00 0.00 177.10 174.67 2kb3 n GLU 96 N 4.64 -5.65 -0.57 -0.60 4.71 -1.26 -0.57 120.64 121.34 2kb3 n GLU 96 Ca -0.17 0.61 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 2kb3 n GLU 96 Cb 0.50 -5.50 0.00 0.00 -1.01 0.00 0.00 31.44 25.43 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kb3 n GLY 97 N -1.71 1.05 3.85 0.62 0.00 -1.26 -5.03 105.19 102.71 2kb3 n GLY 97 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2kb3 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb3 s GLU 98 N -0.31 3.37 -0.20 1.61 0.41 0.26 -4.96 118.70 118.87 2kb3 s GLU 98 Ca 0.00 -0.20 0.01 0.00 -0.41 0.00 0.00 54.97 54.37 2kb3 s GLU 98 Cb 0.00 -3.12 0.03 0.00 -1.78 0.00 0.00 34.13 29.26 2kb3 s GLU 98 CO 0.00 0.75 -0.17 -0.06 -0.49 0.00 0.00 175.26 175.30 2kb3 s PHE 99 N -1.05 2.90 0.04 1.61 0.40 -1.26 -0.65 117.98 119.96 2kb3 s PHE 99 Ca 0.17 -1.74 0.06 0.00 -0.60 0.00 0.00 56.93 54.82 2kb3 s PHE 99 Cb -0.12 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 2kb3 s PHE 99 CO 0.06 -0.81 -0.18 -1.21 0.70 0.00 0.00 175.22 173.78 2kb3 s GLU 100 N 1.26 1.24 -0.20 0.44 2.02 0.11 -0.38 118.70 123.20 2kb3 s GLU 100 Ca 0.02 -0.87 -0.03 0.00 0.02 0.00 0.00 54.97 54.12 2kb3 s GLU 100 Cb -0.15 -1.32 -0.01 0.00 0.10 0.00 0.00 34.13 32.76 2kb3 s GLU 100 CO -0.11 0.34 -0.07 0.08 0.02 0.00 0.00 175.26 175.52 2kb3 s VAL 101 N -0.79 3.21 -0.08 2.63 1.01 0.13 -0.11 120.40 126.40 2kb3 s VAL 101 Ca 0.06 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.52 2kb3 s VAL 101 Cb -0.08 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 2kb3 s VAL 101 CO 0.01 0.46 -0.24 0.68 0.00 0.00 0.00 175.10 176.01 2kb3 s VAL 102 N 1.22 1.99 0.26 2.92 -7.23 0.14 -1.03 120.40 118.67 2kb3 s VAL 102 Ca 0.02 -1.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.91 2kb3 s VAL 102 Cb -0.14 -1.71 -0.09 0.00 0.56 0.00 0.00 36.38 34.99 2kb3 s VAL 102 CO -0.03 0.55 0.94 -0.62 -0.31 0.00 0.00 175.10 175.63 2kb3 s ASP 103 N 0.18 7.57 0.00 4.85 -1.08 0.20 -0.34 116.67 128.06 2kb3 s ASP 103 Ca -0.13 1.92 0.00 0.00 -0.52 0.00 0.00 52.55 53.81 2kb3 s ASP 103 Cb -0.16 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 2kb3 s ASP 103 CO 0.07 0.11 0.74 1.33 0.52 0.00 0.00 175.17 177.94 2kb3 n VAL 104 N 1.29 0.48 0.00 1.11 0.24 -0.07 -4.88 118.33 116.50 2kb3 n VAL 104 Ca -0.01 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2kb3 n VAL 104 Cb 0.48 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 2kb3 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb3 n GLY 105 N -0.24 -1.81 3.57 7.63 0.00 -0.54 -4.84 105.19 108.96 2kb3 n GLY 105 Ca 0.00 0.83 -0.20 0.00 0.00 0.00 0.00 46.02 46.65 2kb3 n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 s SER 106 N 0.00 4.34 -0.22 1.61 0.01 -1.26 -4.21 113.70 113.98 2kb3 s SER 106 Ca 0.00 -0.62 -0.20 0.00 1.31 0.00 0.00 55.95 56.44 2kb3 s SER 106 Cb 0.00 -2.57 -0.18 0.00 0.21 0.00 0.00 66.02 63.48 2kb3 s SER 106 CO 0.00 -3.59 0.13 -0.11 0.41 0.00 0.00 173.24 170.08 2kb3 n LEU 107 N 16.83 1.88 0.07 2.44 0.00 -1.26 -4.45 117.00 132.51 2kb3 n LEU 107 Ca 0.43 0.41 0.11 0.00 0.00 0.00 0.00 56.01 56.97 2kb3 n LEU 107 Cb 0.45 -0.95 -0.03 0.00 0.00 0.00 0.00 43.42 42.90 2kb3 n LEU 107 CO 0.59 0.33 -0.15 -3.20 0.00 0.00 0.00 177.39 174.96 2kb3 n ASN 108 N -4.40 0.62 0.00 1.96 2.85 -1.26 -2.41 115.26 112.62 2kb3 n ASN 108 Ca -0.36 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 2kb3 n ASN 108 Cb 0.72 0.84 0.00 0.00 1.24 0.00 0.00 39.78 42.57 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kb3 n GLY 109 N 1.23 1.11 3.71 8.20 0.00 -1.26 -3.71 105.19 114.47 2kb3 n GLY 109 Ca -0.01 -1.10 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 2kb3 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 110 N 0.00 5.06 -0.05 2.61 2.01 -1.26 -0.02 115.64 123.99 2kb3 s THR 110 Ca 0.00 1.38 0.00 0.00 0.31 0.00 0.00 61.69 63.38 2kb3 s THR 110 Cb 0.00 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.52 2kb3 s THR 110 CO 0.00 0.25 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.85 2kb3 s TYR 111 N 0.84 0.71 -0.04 4.92 2.02 0.28 -1.84 117.35 124.24 2kb3 s TYR 111 Ca 0.36 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.89 2kb3 s TYR 111 Cb -0.17 -0.71 0.01 0.00 -0.40 0.00 0.00 41.96 40.69 2kb3 s TYR 111 CO 0.17 -0.24 -0.10 0.08 -1.57 0.00 0.00 175.55 173.88 2kb3 s VAL 112 N 1.31 0.89 -1.50 0.71 1.01 0.11 0.15 120.40 123.08 2kb3 s VAL 112 Ca -0.05 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 2kb3 s VAL 112 Cb -0.13 -0.80 0.07 0.00 0.00 0.00 0.00 36.38 35.52 2kb3 s VAL 112 CO -0.02 0.28 0.99 -3.20 0.00 0.00 0.00 175.10 173.15 2kb3 n ASN 113 N 3.46 -4.76 0.00 3.32 2.85 -1.10 -0.73 115.26 118.29 2kb3 n ASN 113 Ca -0.20 -0.76 0.00 0.00 -0.11 0.00 0.00 54.58 53.51 2kb3 n ASN 113 Cb 0.53 -4.01 0.00 0.00 1.24 0.00 0.00 39.78 37.54 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kb3 n ARG 114 N -4.70 -1.22 -3.99 1.20 5.12 -1.26 -4.99 116.66 106.82 2kb3 n ARG 114 Ca 0.02 0.31 -0.35 0.00 -1.93 0.00 0.00 57.85 55.89 2kb3 n ARG 114 Cb 0.54 -4.29 -0.11 0.00 -1.16 0.00 0.00 32.46 27.45 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kb3 s GLU 115 N -1.27 3.88 0.05 5.56 0.41 0.09 -5.01 118.70 122.41 2kb3 s GLU 115 Ca 0.00 -0.39 -0.30 0.00 -0.41 0.00 0.00 54.97 53.87 2kb3 s GLU 115 Cb 0.00 -3.22 -0.08 0.00 -1.78 0.00 0.00 34.13 29.05 2kb3 s GLU 115 CO 0.00 0.17 1.73 -1.25 -0.49 0.00 0.00 175.26 175.42 2kb3 s PRO 116 N 0.66 4.18 0.04 0.39 0.04 -1.26 -0.72 135.00 138.33 2kb3 s PRO 116 Ca 0.03 2.40 -0.10 0.00 0.04 0.00 0.00 61.00 63.37 2kb3 s PRO 116 Cb -0.13 -3.75 0.01 0.00 0.04 0.00 0.00 34.50 30.66 2kb3 s PRO 116 CO 0.02 -0.81 0.20 0.50 0.04 0.00 0.00 177.00 176.96 2kb3 s ARG 117 N 3.18 0.71 -0.15 4.56 6.06 -0.77 -4.95 118.95 127.58 2kb3 s ARG 117 Ca 0.77 -0.62 0.03 0.00 -2.50 0.00 0.00 55.73 53.41 2kb3 s ARG 117 Cb -0.40 0.29 -0.12 0.00 0.06 0.00 0.00 34.95 34.79 2kb3 s ARG 117 CO 0.34 -0.21 -0.10 -1.71 -2.50 0.00 0.00 175.30 171.12 2kb3 n ASN 118 N 0.66 2.58 -3.82 -2.12 2.85 -1.26 -4.57 115.26 109.58 2kb3 n ASN 118 Ca -0.19 -0.07 -0.13 0.00 -0.11 0.00 0.00 54.58 54.08 2kb3 n ASN 118 Cb 0.59 -0.03 -0.15 0.00 1.24 0.00 0.00 39.78 41.43 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kb3 s ALA 119 N -2.32 0.02 -0.11 5.20 0.00 -1.26 0.62 121.76 123.92 2kb3 s ALA 119 Ca -0.18 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.78 2kb3 s ALA 119 Cb 0.05 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.08 2kb3 s ALA 119 CO 0.40 -0.06 0.42 -1.14 0.00 0.00 0.00 175.76 175.39 2kb3 s GLN 120 N 0.52 0.60 0.13 0.00 2.00 -0.19 -4.98 119.66 117.73 2kb3 s GLN 120 Ca -0.04 0.35 -0.31 0.00 -2.00 0.00 0.00 55.36 53.36 2kb3 s GLN 120 Cb -0.06 0.28 -0.07 0.00 0.80 0.00 0.00 33.01 33.96 2kb3 s GLN 120 CO -0.02 -0.12 1.29 0.08 -0.50 0.00 0.00 175.29 176.03 2kb3 s VAL 121 N -0.33 3.53 -0.12 1.34 1.01 -1.26 0.20 120.40 124.77 2kb3 s VAL 121 Ca -0.05 1.15 -0.21 0.00 0.00 0.00 0.00 61.98 62.87 2kb3 s VAL 121 Cb -0.03 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2kb3 s VAL 121 CO 0.02 0.12 0.60 -0.32 0.00 0.00 0.00 175.10 175.52 2kb3 s MET 122 N 0.66 4.35 0.01 2.72 1.75 0.49 -4.84 119.30 124.44 2kb3 s MET 122 Ca 0.60 0.65 0.04 0.00 -1.25 0.00 0.00 55.69 55.73 2kb3 s MET 122 Cb -0.34 -3.47 -0.02 0.00 2.84 0.00 0.00 34.83 33.84 2kb3 s MET 122 CO 0.32 0.03 -0.13 1.14 -0.65 0.00 0.00 175.02 175.74 2kb3 s GLN 123 N 0.98 0.97 0.15 4.11 -2.07 -1.26 -4.65 119.66 117.88 2kb3 s GLN 123 Ca 0.31 -0.59 -0.30 0.00 -1.82 0.00 0.00 55.36 52.96 2kb3 s GLN 123 Cb -0.16 -0.95 -0.07 0.00 -1.09 0.00 0.00 33.01 30.74 2kb3 s GLN 123 CO 0.13 0.25 1.15 -0.08 -1.32 0.00 0.00 175.29 175.42 2kb3 s THR 124 N -0.57 3.81 0.00 3.63 -1.32 -1.26 -2.81 115.64 117.12 2kb3 s THR 124 Ca 0.03 1.48 0.00 0.00 -1.21 0.00 0.00 61.69 61.99 2kb3 s THR 124 Cb -0.06 -3.95 0.00 0.00 -1.51 0.00 0.00 72.50 66.98 2kb3 s THR 124 CO 0.00 0.22 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 2kb3 n GLY 125 N 2.35 0.13 3.89 6.08 0.00 0.19 -4.29 105.19 113.55 2kb3 n GLY 125 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2kb3 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb3 s ASP 126 N -2.21 6.48 -0.17 1.61 -1.08 -1.12 -4.88 116.67 115.29 2kb3 s ASP 126 Ca 0.00 0.90 -0.03 0.00 -0.52 0.00 0.00 52.55 52.89 2kb3 s ASP 126 Cb 0.00 -2.22 -0.02 0.00 -1.46 0.00 0.00 42.92 39.22 2kb3 s ASP 126 CO 0.00 -0.28 -0.05 -1.61 0.52 0.00 0.00 175.17 173.75 2kb3 s GLU 127 N -3.67 3.57 -0.25 4.34 2.02 -1.26 -1.71 118.70 121.74 2kb3 s GLU 127 Ca 0.47 -0.56 -0.07 0.00 0.02 0.00 0.00 54.97 54.83 2kb3 s GLU 127 Cb -0.11 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 2kb3 s GLU 127 CO 0.30 0.15 0.05 0.42 0.02 0.00 0.00 175.26 176.20 2kb3 s ILE 128 N 0.60 4.13 -0.25 -1.63 1.01 0.71 -2.71 121.20 123.06 2kb3 s ILE 128 Ca -0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.29 2kb3 s ILE 128 Cb -0.15 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 2kb3 s ILE 128 CO 0.03 0.34 0.09 -1.58 0.00 0.00 0.00 174.94 173.82 2kb3 s GLN 129 N 1.59 3.73 -0.41 2.79 0.74 0.12 -0.31 119.66 127.91 2kb3 s GLN 129 Ca 0.06 -0.44 -0.07 0.00 0.05 0.00 0.00 55.36 54.97 2kb3 s GLN 129 Cb -0.15 -3.37 0.09 0.00 1.10 0.00 0.00 33.01 30.68 2kb3 s GLN 129 CO 0.02 -0.15 0.24 0.42 -0.55 0.00 0.00 175.29 175.27 2kb3 s ILE 130 N 1.53 3.83 0.00 -2.34 1.01 0.25 -0.55 121.20 124.93 2kb3 s ILE 130 Ca 0.06 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 59.04 2kb3 s ILE 130 Cb -0.15 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.87 2kb3 s ILE 130 CO 0.05 -0.58 0.00 0.61 0.00 0.00 0.00 174.94 175.02 2kb3 n GLY 131 N 4.79 1.33 0.13 6.18 0.00 0.98 -1.84 105.19 116.76 2kb3 n GLY 131 Ca -0.08 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.17 2kb3 n GLY 131 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kb3 n LYS 132 N 0.00 2.84 -4.36 1.61 2.85 -1.26 -4.93 118.16 114.91 2kb3 n LYS 132 Ca 0.00 -1.71 -0.21 0.00 -1.05 0.00 0.00 58.31 55.35 2kb3 n LYS 132 Cb 0.00 -1.10 -0.11 0.00 -0.65 0.00 0.00 35.03 33.17 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2kb3 s PHE 133 N -1.19 1.83 0.01 5.58 -0.71 -0.76 -4.98 117.98 117.75 2kb3 s PHE 133 Ca 0.07 -0.50 0.05 0.00 -1.04 0.00 0.00 56.93 55.51 2kb3 s PHE 133 Cb 0.05 -0.87 -0.01 0.00 -1.21 0.00 0.00 43.02 40.98 2kb3 s PHE 133 CO 0.03 0.39 -0.14 1.03 -1.34 0.00 0.00 175.22 175.19 2kb3 s ARG 134 N -3.25 1.07 -0.03 1.99 0.52 -0.63 -0.58 118.95 118.05 2kb3 s ARG 134 Ca 0.20 -0.60 0.06 0.00 -0.52 0.00 0.00 55.73 54.87 2kb3 s ARG 134 Cb -0.03 -1.06 -0.01 0.00 0.52 0.00 0.00 34.95 34.36 2kb3 s ARG 134 CO 0.08 0.28 -0.20 -0.51 0.02 0.00 0.00 175.30 174.97 2kb3 s LEU 135 N -0.63 2.01 -0.07 2.53 1.02 0.57 -0.71 118.68 123.40 2kb3 s LEU 135 Ca 0.04 -0.38 0.02 0.00 0.02 0.00 0.00 54.13 53.83 2kb3 s LEU 135 Cb -0.06 -1.06 -0.03 0.00 0.02 0.00 0.00 46.19 45.06 2kb3 s LEU 135 CO 0.00 0.23 -0.11 -0.69 0.02 0.00 0.00 176.35 175.80 2kb3 s VAL 136 N -0.33 3.35 -0.32 -1.59 1.01 0.76 -0.21 120.40 123.06 2kb3 s VAL 136 Ca 0.04 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 2kb3 s VAL 136 Cb -0.09 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 2kb3 s VAL 136 CO 0.00 0.58 0.20 0.12 0.00 0.00 0.00 175.10 176.01 2kb3 s PHE 137 N -0.58 3.21 0.11 5.22 5.36 -0.70 -0.48 117.98 130.11 2kb3 s PHE 137 Ca 0.08 -0.30 0.05 0.00 -0.96 0.00 0.00 56.93 55.81 2kb3 s PHE 137 Cb -0.12 -2.42 -0.04 0.00 -0.34 0.00 0.00 43.02 40.11 2kb3 s PHE 137 CO 0.02 -0.37 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.78 2kb3 s LEU 138 N 1.69 2.40 -0.05 6.12 2.01 0.88 0.56 118.68 132.28 2kb3 s LEU 138 Ca 0.06 -0.80 -0.30 0.00 0.01 0.00 0.00 54.13 53.10 2kb3 s LEU 138 Cb -0.17 -0.44 -0.03 0.00 0.01 0.00 0.00 46.19 45.57 2kb3 s LEU 138 CO 0.09 -0.19 1.10 0.00 1.01 0.00 0.00 176.35 178.36 2kb3 s ALA 139 N -2.22 3.41 0.00 4.21 0.00 -1.26 -0.23 121.76 125.67 2kb3 s ALA 139 Ca 0.07 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2kb3 s ALA 139 Cb -0.04 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2kb3 s ALA 139 CO 0.02 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2kb3 n GLY 140 N 3.19 0.44 3.77 0.00 0.00 -1.26 -4.90 105.19 106.43 2kb3 n GLY 140 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2kb3 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kb3 s PRO 141 N 2.14 4.12 -0.14 1.61 0.02 -1.26 -4.92 135.00 136.57 2kb3 s PRO 141 Ca 0.00 1.96 0.16 0.00 0.02 0.00 0.00 61.00 63.14 2kb3 s PRO 141 Cb 0.00 -2.79 0.48 0.00 0.02 0.00 0.00 34.50 32.21 2kb3 s PRO 141 CO 0.00 -0.30 1.38 0.00 -0.33 0.00 0.00 177.00 177.75 2kb3 n ALA 142 N 0.27 2.82 1.01 -1.55 0.00 -1.26 -4.85 120.51 116.95 2kb3 n ALA 142 Ca 0.03 -2.10 0.08 0.00 0.00 0.00 0.00 53.44 51.46 2kb3 n ALA 142 Cb 0.45 -0.65 0.48 0.00 0.00 0.00 0.00 19.45 19.73 2kb3 n ALA 142 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89