#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 n SER 2 N 0.00 0.00 -2.41 3.17 7.64 -1.26 -4.72 113.62 116.04 2kb3 n SER 2 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 2kb3 n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2kb3 n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kb3 n ASP 3 N 2.13 -5.02 -3.74 6.43 8.00 -1.26 -4.93 116.55 118.17 2kb3 n ASP 3 Ca 0.00 0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.46 2kb3 n ASP 3 Cb 0.00 -4.21 -0.11 0.00 -0.02 0.00 0.00 41.12 36.79 2kb3 n ASP 3 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2kb3 s ASN 4 N -2.04 -0.40 -0.81 -2.24 2.47 -1.26 -5.09 114.94 105.56 2kb3 s ASN 4 Ca 0.00 0.76 -0.21 0.00 0.42 0.00 0.00 52.86 53.83 2kb3 s ASN 4 Cb 0.00 0.74 0.10 0.00 -1.45 0.00 0.00 41.25 40.63 2kb3 s ASN 4 CO 0.00 -0.14 1.07 0.21 -3.72 0.00 0.00 177.10 174.52 2kb3 s ASN 5 N 0.49 6.41 -0.12 -4.21 3.84 -1.26 -4.82 114.94 115.26 2kb3 s ASN 5 Ca -0.02 -1.52 -0.08 0.00 0.21 0.00 0.00 52.86 51.46 2kb3 s ASN 5 Cb -0.04 -2.42 -0.05 0.00 -0.55 0.00 0.00 41.25 38.19 2kb3 s ASN 5 CO -0.03 -1.27 0.06 1.23 -2.79 0.00 0.00 177.10 174.31 2kb3 h GLY 6 N 11.00 0.00 -7.68 1.21 0.00 -1.99 -3.45 103.07 102.17 2kb3 h GLY 6 Ca -0.05 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.59 2kb3 h GLY 6 CO 1.16 0.00 -0.63 -1.59 0.00 0.00 0.00 176.54 175.48 2kb3 s THR 7 N -1.88 3.43 0.19 4.70 2.01 -1.26 -5.08 115.64 117.75 2kb3 s THR 7 Ca -0.08 -1.36 -0.30 0.00 0.31 0.00 0.00 61.69 60.26 2kb3 s THR 7 Cb 0.01 -3.01 -0.08 0.00 0.01 0.00 0.00 72.50 69.43 2kb3 s THR 7 CO 0.18 -0.23 1.07 -2.16 -0.69 0.00 0.00 174.62 172.80 2kb3 s PRO 8 N 1.31 4.63 0.09 4.92 0.04 -1.26 -5.01 135.00 139.73 2kb3 s PRO 8 Ca -0.02 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 2kb3 s PRO 8 Cb -0.20 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 2kb3 s PRO 8 CO 0.00 0.15 1.01 -1.83 0.04 0.00 0.00 177.00 176.37 2kb3 s GLU 9 N -0.59 4.63 -0.10 4.56 -1.05 -1.26 -4.97 118.70 119.93 2kb3 s GLU 9 Ca 0.48 1.51 -0.29 0.00 -0.15 0.00 0.00 54.97 56.51 2kb3 s GLU 9 Cb -0.29 -3.38 -0.05 0.00 -0.44 0.00 0.00 34.13 29.98 2kb3 s GLU 9 CO 0.35 0.10 1.66 -1.25 0.95 0.00 0.00 175.26 177.07 2kb3 s PRO 10 N 0.24 4.07 -0.06 -4.83 0.04 -1.26 -5.00 135.00 128.20 2kb3 s PRO 10 Ca 0.49 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.62 2kb3 s PRO 10 Cb -0.24 -4.00 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 2kb3 s PRO 10 CO 0.30 -0.98 -0.11 -0.65 0.04 0.00 0.00 177.00 175.60 2kb3 s GLN 11 N 4.23 2.61 -0.13 4.56 -1.52 -1.26 -5.11 119.66 123.04 2kb3 s GLN 11 Ca 0.73 -0.64 -0.02 0.00 -1.95 0.00 0.00 55.36 53.48 2kb3 s GLN 11 Cb -0.31 -2.46 -0.03 0.00 -0.22 0.00 0.00 33.01 29.99 2kb3 s GLN 11 CO 0.29 0.64 -0.04 0.08 -0.25 0.00 0.00 175.29 176.01 2kb3 s VAL 12 N -0.75 3.88 -0.04 1.09 1.01 -1.26 -4.99 120.40 119.34 2kb3 s VAL 12 Ca 0.12 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 2kb3 s VAL 12 Cb -0.11 -2.66 0.06 0.00 0.00 0.00 0.00 36.38 33.67 2kb3 s VAL 12 CO 0.01 0.53 0.61 -0.70 0.00 0.00 0.00 175.10 175.55 2kb3 s GLU 13 N -0.07 0.99 0.00 2.72 2.56 -1.26 -5.14 118.70 118.51 2kb3 s GLU 13 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 54.97 55.15 2kb3 s GLU 13 Cb -0.13 0.47 0.00 0.00 2.00 0.00 0.00 34.13 36.46 2kb3 s GLU 13 CO 0.03 -0.31 0.00 2.41 -0.56 0.00 0.00 175.26 176.83 2kb3 n THR 14 N 0.95 0.00 -3.65 -1.70 -1.04 -1.26 -4.87 114.28 102.71 2kb3 n THR 14 Ca -0.19 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.68 2kb3 n THR 14 Cb 0.57 -1.48 -0.07 0.00 -1.82 0.00 0.00 70.33 67.53 2kb3 n THR 14 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kb3 s SER 16 N -1.00 -0.36 -0.32 8.00 0.01 -1.26 -4.69 113.70 114.08 2kb3 s SER 16 Ca 0.00 0.19 -0.26 0.00 1.31 0.00 0.00 55.95 57.18 2kb3 s SER 16 Cb 0.00 0.43 0.01 0.00 0.21 0.00 0.00 66.02 66.67 2kb3 s SER 16 CO 0.00 -0.61 0.94 -0.69 0.41 0.00 0.00 173.24 173.29 2kb3 s VAL 17 N -1.93 4.64 -0.01 3.43 1.01 -1.26 -4.65 120.40 121.62 2kb3 s VAL 17 Ca -0.09 1.45 0.06 0.00 0.00 0.00 0.00 61.98 63.41 2kb3 s VAL 17 Cb -0.02 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 2kb3 s VAL 17 CO 0.02 -0.38 -0.21 0.72 0.00 0.00 0.00 175.10 175.25 2kb3 s PHE 18 N 3.33 1.88 -0.45 5.22 -0.71 -0.95 -5.06 117.98 121.25 2kb3 s PHE 18 Ca 0.39 -0.36 -0.18 0.00 -1.04 0.00 0.00 56.93 55.75 2kb3 s PHE 18 Cb -0.13 -1.21 0.03 0.00 -1.21 0.00 0.00 43.02 40.51 2kb3 s PHE 18 CO 0.14 -0.03 0.49 0.50 -1.34 0.00 0.00 175.22 174.98 2kb3 s ARG 19 N -0.51 3.10 0.41 1.99 3.52 -1.26 -4.40 118.95 121.79 2kb3 s ARG 19 Ca 0.08 -0.82 -0.07 0.00 -0.13 0.00 0.00 55.73 54.79 2kb3 s ARG 19 Cb -0.08 -4.01 0.10 0.00 -1.56 0.00 0.00 34.95 29.39 2kb3 s ARG 19 CO -0.01 -0.96 0.50 0.00 -0.81 0.00 0.00 175.30 174.02 2kb3 n ALA 20 N 5.73 -0.77 1.29 6.12 0.00 -1.26 -4.90 120.51 126.72 2kb3 n ALA 20 Ca -0.07 -0.67 0.03 0.00 0.00 0.00 0.00 53.44 52.73 2kb3 n ALA 20 Cb 0.47 -0.04 0.19 0.00 0.00 0.00 0.00 19.45 20.07 2kb3 n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kb3 n ASP 21 N -3.43 0.00 0.21 0.00 8.00 -1.26 -3.87 116.55 116.19 2kb3 n ASP 21 Ca 0.06 -1.09 0.16 0.00 0.71 0.00 0.00 54.79 54.64 2kb3 n ASP 21 Cb 0.23 0.00 0.82 0.00 -0.02 0.00 0.00 41.12 42.14 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 2kb3 h LEU 22 N 0.00 0.00 -1.06 0.64 8.10 -1.91 0.18 115.31 121.26 2kb3 h LEU 22 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 2kb3 h LEU 22 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2kb3 h LEU 22 CO 0.00 0.00 -0.15 0.25 -4.11 0.00 0.00 178.44 174.43 2kb3 h LEU 23 N 0.00 0.00 0.01 0.17 5.85 -1.97 -2.14 115.31 117.23 2kb3 h LEU 23 Ca 0.08 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.45 2kb3 h LEU 23 Cb 0.43 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 2kb3 h LEU 23 CO -0.00 0.15 -2.17 0.29 -0.34 0.00 0.00 178.44 176.38 2kb3 n LYS 24 N -3.27 0.67 -0.32 1.25 5.02 0.40 -4.19 118.16 117.72 2kb3 n LYS 24 Ca 0.01 0.13 0.04 0.00 -2.02 0.00 0.00 58.31 56.47 2kb3 n LYS 24 Cb 0.42 -1.62 0.23 0.00 -0.02 0.00 0.00 35.03 34.04 2kb3 n LYS 24 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2kb3 h GLU 25 N 0.01 1.01 0.00 1.97 4.39 -0.66 0.89 114.58 122.18 2kb3 h GLU 25 Ca -0.46 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.16 2kb3 h GLU 25 Cb 2.11 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 30.53 2kb3 h GLU 25 CO 0.03 0.67 -0.07 0.00 -1.16 0.00 0.00 179.01 178.48 2kb3 h MET 26 N 1.04 0.00 0.01 2.33 -0.00 -1.56 0.27 114.93 117.02 2kb3 h MET 26 Ca 0.41 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.93 2kb3 h MET 26 Cb 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.82 2kb3 h MET 26 CO -0.17 0.07 -1.00 0.93 -0.00 0.00 0.00 176.91 176.75 2kb3 h GLU 27 N 0.00 0.01 -0.75 -0.10 4.39 -1.27 -0.25 114.58 116.61 2kb3 h GLU 27 Ca -0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2kb3 h GLU 27 Cb 0.17 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2kb3 h GLU 27 CO 0.01 1.01 0.43 0.77 -1.16 0.00 0.00 179.01 180.07 2kb3 h SER 28 N -0.96 0.92 1.45 1.42 0.02 -0.70 -1.09 113.55 114.60 2kb3 h SER 28 Ca -0.27 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2kb3 h SER 28 Cb 1.26 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2kb3 h SER 28 CO -0.15 0.73 -0.25 0.28 -1.14 0.00 0.00 176.83 176.30 2kb3 h SER 29 N 1.03 0.00 -4.24 3.07 0.02 -0.63 -3.50 113.55 109.30 2kb3 h SER 29 Ca 0.27 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2kb3 h SER 29 Cb -0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.46 2kb3 h SER 29 CO -0.05 0.02 -0.97 0.41 -1.14 0.00 0.00 176.83 175.10 2kb3 n THR 30 N -2.53 -9.42 -4.97 -2.27 -1.04 -0.42 -4.88 114.28 88.76 2kb3 n THR 30 Ca 0.04 1.85 0.00 0.00 -2.04 0.00 0.00 64.05 63.90 2kb3 n THR 30 Cb 0.48 -5.39 0.00 0.00 -1.82 0.00 0.00 70.33 63.59 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 1.11 2.67 3.50 3.41 0.00 -0.22 -4.68 105.19 110.99 2kb3 n GLY 31 Ca -0.23 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2kb3 n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb3 s THR 32 N 0.00 2.91 -0.27 2.61 -1.32 -1.26 -4.64 115.64 113.67 2kb3 s THR 32 Ca 0.00 -1.43 0.00 0.00 -1.21 0.00 0.00 61.69 59.05 2kb3 s THR 32 Cb 0.00 -2.33 0.05 0.00 -1.51 0.00 0.00 72.50 68.71 2kb3 s THR 32 CO 0.00 0.13 -0.06 0.00 -2.21 0.00 0.00 174.62 172.48 2kb3 s ALA 33 N -1.13 2.68 0.49 11.08 0.00 -1.22 -5.07 121.76 128.59 2kb3 s ALA 33 Ca 0.18 -1.71 -0.23 0.00 0.00 0.00 0.00 51.96 50.20 2kb3 s ALA 33 Cb -0.11 -1.73 -0.07 0.00 0.00 0.00 0.00 23.12 21.22 2kb3 s ALA 33 CO 0.10 -1.15 1.31 -1.25 0.00 0.00 0.00 175.76 174.77 2kb3 s PRO 34 N 1.20 3.52 0.32 0.00 0.04 -1.26 -4.82 135.00 133.99 2kb3 s PRO 34 Ca -0.06 2.13 0.04 0.00 0.04 0.00 0.00 61.00 63.16 2kb3 s PRO 34 Cb -0.19 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 2kb3 s PRO 34 CO -0.04 -0.86 0.47 0.00 0.04 0.00 0.00 177.00 176.62 2kb3 s ALA 35 N -1.34 3.98 -0.33 8.56 0.00 -1.26 -4.93 121.76 126.44 2kb3 s ALA 35 Ca 0.65 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.20 2kb3 s ALA 35 Cb -0.38 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 2kb3 s ALA 35 CO 0.46 0.02 0.48 -1.12 0.00 0.00 0.00 175.76 175.60 2kb3 s SER 36 N -4.09 6.30 -0.61 0.00 0.01 -0.16 -4.98 113.70 110.18 2kb3 s SER 36 Ca 0.41 0.03 -0.26 0.00 1.31 0.00 0.00 55.95 57.43 2kb3 s SER 36 Cb -0.09 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 2kb3 s SER 36 CO 0.32 -0.41 1.88 -0.89 0.41 0.00 0.00 173.24 174.55 2kb3 s THR 37 N 2.30 3.34 -0.33 1.44 2.01 -1.26 -2.39 115.64 120.74 2kb3 s THR 37 Ca 0.18 0.19 0.15 0.00 0.31 0.00 0.00 61.69 62.52 2kb3 s THR 37 Cb -0.16 -3.90 0.44 0.00 0.01 0.00 0.00 72.50 68.89 2kb3 s THR 37 CO 0.12 -0.87 1.32 0.61 -0.69 0.00 0.00 174.62 175.11 2kb3 n GLY 38 N 5.71 1.75 0.14 4.40 0.00 -1.26 -4.90 105.19 111.04 2kb3 n GLY 38 Ca 0.21 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 1.89 0.34 0.00 4.61 0.00 -1.84 -3.31 119.26 120.95 2kb3 h ALA 39 Ca -0.29 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.32 2kb3 h ALA 39 Cb 1.28 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2kb3 h ALA 39 CO 0.02 1.21 0.00 -0.85 0.00 0.00 0.00 179.25 179.64 2kb3 n GLU 40 N -3.52 0.63 0.04 0.00 0.00 -1.26 -1.86 120.64 114.68 2kb3 n GLU 40 Ca -0.29 0.02 -0.08 0.00 0.00 0.00 0.00 57.16 56.81 2kb3 n GLU 40 Cb 1.06 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.87 2kb3 n GLU 40 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2kb3 h ASN 41 N 0.00 0.04 -6.03 -1.84 4.21 -1.91 -3.49 115.58 106.55 2kb3 h ASN 41 Ca 0.00 -0.05 -0.21 0.00 1.21 0.00 0.00 56.30 57.25 2kb3 h ASN 41 Cb 0.07 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 37.27 2kb3 h ASN 41 CO 0.00 1.04 -0.94 0.18 -1.29 0.00 0.00 177.43 176.42 2kb3 n LEU 42 N -3.29 -4.77 0.25 1.61 4.77 -0.78 -4.96 117.00 109.83 2kb3 n LEU 42 Ca -0.06 0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 2kb3 n LEU 42 Cb 0.98 -2.32 -0.05 0.00 -2.33 0.00 0.00 43.42 39.70 2kb3 n LEU 42 CO 0.47 -1.11 0.30 -0.65 -1.33 0.00 0.00 177.39 175.07 2kb3 h PRO 43 N 2.24 -0.65 0.00 3.23 0.11 -1.86 -3.42 132.00 131.65 2kb3 h PRO 43 Ca -0.30 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2kb3 h PRO 43 Cb 1.16 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2kb3 h PRO 43 CO 0.19 -0.43 -0.18 0.00 -0.21 0.00 0.00 178.00 177.37 2kb3 n ALA 44 N -2.64 1.23 -0.66 -0.75 0.00 -1.26 -4.99 120.51 111.45 2kb3 n ALA 44 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kb3 n ALA 44 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 0.89 0.81 3.57 0.00 0.00 -1.26 -5.03 105.19 104.17 2kb3 n GLY 45 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.85 4.20 0.04 1.61 0.01 -1.26 -4.98 113.70 110.47 2kb3 s SER 46 Ca 0.00 -0.67 -0.11 0.00 1.31 0.00 0.00 55.95 56.48 2kb3 s SER 46 Cb 0.00 -0.68 0.01 0.00 0.21 0.00 0.00 66.02 65.57 2kb3 s SER 46 CO 0.00 0.07 0.24 0.00 0.41 0.00 0.00 173.24 173.96 2kb3 s ALA 47 N -1.96 -0.51 0.03 1.44 0.00 -1.22 -0.85 121.76 118.68 2kb3 s ALA 47 Ca 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 2kb3 s ALA 47 Cb -0.08 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 2kb3 s ALA 47 CO 0.16 -0.38 0.01 -0.48 0.00 0.00 0.00 175.76 175.08 2kb3 s LEU 48 N -2.03 2.12 -0.06 0.00 -0.00 -0.31 -0.13 118.68 118.27 2kb3 s LEU 48 Ca -0.06 -0.55 0.03 0.00 -0.00 0.00 0.00 54.13 53.56 2kb3 s LEU 48 Cb -0.01 0.27 0.00 0.00 -0.00 0.00 0.00 46.19 46.46 2kb3 s LEU 48 CO -0.03 -0.39 -0.16 -1.48 -0.00 0.00 0.00 176.35 174.28 2kb3 s LEU 49 N -1.79 1.85 -0.09 1.48 2.34 -0.15 -0.47 118.68 121.84 2kb3 s LEU 49 Ca -0.10 -0.37 -0.01 0.00 0.06 0.00 0.00 54.13 53.71 2kb3 s LEU 49 Cb -0.05 -0.99 -0.03 0.00 -0.56 0.00 0.00 46.19 44.56 2kb3 s LEU 49 CO -0.03 0.11 -0.04 0.54 -1.06 0.00 0.00 176.35 175.88 2kb3 s VAL 50 N 0.32 3.97 -0.28 1.48 0.11 0.38 -0.55 120.40 125.83 2kb3 s VAL 50 Ca -0.10 -0.37 -0.24 0.00 -2.93 0.00 0.00 61.98 58.34 2kb3 s VAL 50 Cb -0.14 -2.67 -0.00 0.00 -1.53 0.00 0.00 36.38 32.04 2kb3 s VAL 50 CO 0.04 0.58 0.80 -0.69 -3.33 0.00 0.00 175.10 172.50 2kb3 s VAL 51 N -0.58 4.81 -0.11 2.04 1.01 0.29 -0.34 120.40 127.53 2kb3 s VAL 51 Ca 0.09 1.32 0.11 0.00 0.00 0.00 0.00 61.98 63.51 2kb3 s VAL 51 Cb -0.12 -4.13 -0.24 0.00 0.00 0.00 0.00 36.38 31.90 2kb3 s VAL 51 CO 0.02 -0.18 0.42 1.17 0.00 0.00 0.00 175.10 176.53 2kb3 n LYS 52 N 6.13 0.66 -3.78 2.72 4.81 0.03 -0.48 118.16 128.25 2kb3 n LYS 52 Ca 0.04 0.20 -0.13 0.00 -0.87 0.00 0.00 58.31 57.56 2kb3 n LYS 52 Cb 0.48 -1.69 -0.12 0.00 0.02 0.00 0.00 35.03 33.72 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2kb3 s ARG 53 N -2.56 0.29 0.00 1.64 6.06 -1.14 -4.78 118.95 118.46 2kb3 s ARG 53 Ca -0.10 0.39 0.00 0.00 -2.50 0.00 0.00 55.73 53.52 2kb3 s ARG 53 Cb 0.07 0.11 0.00 0.00 0.06 0.00 0.00 34.95 35.19 2kb3 s ARG 53 CO 0.81 -0.05 0.00 0.41 -2.50 0.00 0.00 175.30 173.96 2kb3 n GLY 54 N 3.14 2.63 0.38 8.12 0.00 -1.26 -1.29 105.19 116.91 2kb3 n GLY 54 Ca -0.15 -2.00 0.20 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.33 1.61 0.11 -1.97 0.66 132.00 132.08 2kb3 h PRO 55 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kb3 h PRO 55 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kb3 h PRO 55 CO 0.00 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.88 2kb3 n ASN 56 N -4.37 2.01 -4.67 -2.05 3.02 -1.26 -4.95 115.26 102.98 2kb3 n ASN 56 Ca 0.10 -1.93 -0.46 0.00 -0.03 0.00 0.00 54.58 52.26 2kb3 n ASN 56 Cb 0.61 -0.22 -0.04 0.00 -0.61 0.00 0.00 39.78 39.52 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb3 n ALA 57 N 0.58 1.21 0.00 5.41 0.00 0.22 -1.70 120.51 126.23 2kb3 n ALA 57 Ca 0.14 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2kb3 n ALA 57 Cb 0.33 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 2.95 2.59 3.89 0.00 0.00 0.37 -4.99 105.19 110.00 2kb3 n GLY 58 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.45 3.55 -0.02 4.61 0.00 -0.69 -4.87 121.76 121.90 2kb3 s ALA 59 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.62 2kb3 s ALA 59 Cb 0.00 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.69 2kb3 s ALA 59 CO 0.00 0.32 -0.10 -0.98 0.00 0.00 0.00 175.76 175.00 2kb3 s ARG 60 N -3.26 0.98 -0.05 0.00 1.70 -1.26 -0.54 118.95 116.51 2kb3 s ARG 60 Ca 0.47 -0.35 0.04 0.00 -0.47 0.00 0.00 55.73 55.42 2kb3 s ARG 60 Cb -0.11 -0.91 -0.02 0.00 -0.57 0.00 0.00 34.95 33.33 2kb3 s ARG 60 CO 0.26 0.16 -0.16 -0.06 -1.08 0.00 0.00 175.30 174.41 2kb3 s PHE 61 N 0.04 2.64 -0.19 5.89 0.08 0.29 -4.93 117.98 121.81 2kb3 s PHE 61 Ca -0.01 -0.23 -0.14 0.00 0.12 0.00 0.00 56.93 56.67 2kb3 s PHE 61 Cb -0.07 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 2kb3 s PHE 61 CO 0.00 0.13 0.30 -1.17 -0.10 0.00 0.00 175.22 174.38 2kb3 s LEU 62 N -0.66 4.20 -0.36 -0.37 1.98 -1.26 -0.97 118.68 121.24 2kb3 s LEU 62 Ca 0.10 0.44 -0.12 0.00 -2.89 0.00 0.00 54.13 51.66 2kb3 s LEU 62 Cb -0.11 -2.37 0.00 0.00 0.66 0.00 0.00 46.19 44.38 2kb3 s LEU 62 CO 0.00 0.04 0.23 -0.76 -1.89 0.00 0.00 176.35 173.98 2kb3 s LEU 63 N 0.80 4.61 0.00 -0.68 1.43 0.82 -4.81 118.68 120.85 2kb3 s LEU 63 Ca 0.16 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 2kb3 s LEU 63 Cb -0.13 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2kb3 s LEU 63 CO 0.05 -0.30 0.37 -0.67 0.23 0.00 0.00 176.35 176.02 2kb3 n ASP 64 N 5.07 0.53 -4.66 2.29 2.03 -1.26 -3.38 116.55 117.17 2kb3 n ASP 64 Ca -0.12 -1.14 -0.35 0.00 0.52 0.00 0.00 54.79 53.70 2kb3 n ASP 64 Cb 0.48 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.79 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 -0.14 3.25 0.64 -0.67 0.00 -1.26 -4.99 119.66 116.49 2kb3 s GLN 65 Ca 0.00 -0.40 0.40 0.00 -0.00 0.00 0.00 55.36 55.36 2kb3 s GLN 65 Cb 0.00 -2.89 2.24 0.00 0.00 0.00 0.00 33.01 32.36 2kb3 s GLN 65 CO 0.00 0.58 2.33 -1.35 0.00 0.00 0.00 175.29 176.85 2kb3 h PRO 66 N 5.59 0.00 -3.61 9.60 0.11 -1.94 -3.41 132.00 138.35 2kb3 h PRO 66 Ca -0.46 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.25 2kb3 h PRO 66 Cb 1.19 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.93 2kb3 h PRO 66 CO 0.58 0.00 -0.76 0.99 -0.21 0.00 0.00 178.00 178.61 2kb3 s THR 67 N -4.28 0.20 -0.19 -1.15 2.01 -1.26 -0.14 115.64 110.83 2kb3 s THR 67 Ca -0.05 0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 2kb3 s THR 67 Cb 0.14 -0.37 0.05 0.00 0.01 0.00 0.00 72.50 72.33 2kb3 s THR 67 CO 0.45 0.21 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.68 2kb3 s THR 68 N 1.76 1.04 0.10 -0.82 2.01 0.76 -5.00 115.64 115.49 2kb3 s THR 68 Ca 0.01 -0.76 -0.20 0.00 0.31 0.00 0.00 61.69 61.05 2kb3 s THR 68 Cb -0.13 -1.34 -0.07 0.00 0.01 0.00 0.00 72.50 70.98 2kb3 s THR 68 CO -0.04 -0.04 0.60 -0.89 -0.69 0.00 0.00 174.62 173.57 2kb3 s THR 69 N 1.64 4.69 -0.06 -0.82 2.01 -1.26 0.21 115.64 122.05 2kb3 s THR 69 Ca -0.02 1.25 0.06 0.00 0.31 0.00 0.00 61.69 63.30 2kb3 s THR 69 Cb -0.17 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 2kb3 s THR 69 CO -0.07 0.51 -0.24 0.00 -0.69 0.00 0.00 174.62 174.13 2kb3 s ALA 70 N -1.16 2.11 0.00 7.40 0.00 0.80 -0.09 121.76 130.82 2kb3 s ALA 70 Ca 0.31 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2kb3 s ALA 70 Cb -0.19 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2kb3 s ALA 70 CO 0.20 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.77 2kb3 n GLY 71 N 2.98 -0.31 3.45 0.00 0.00 -0.92 -2.70 105.19 107.69 2kb3 n GLY 71 Ca -0.17 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 2kb3 n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kb3 s ARG 72 N -1.20 1.61 0.00 1.61 1.81 0.46 -0.70 118.95 122.54 2kb3 s ARG 72 Ca 0.00 -1.41 0.00 0.00 -1.72 0.00 0.00 55.73 52.60 2kb3 s ARG 72 Cb 0.00 -1.94 0.00 0.00 -0.45 0.00 0.00 34.95 32.56 2kb3 s ARG 72 CO 0.00 0.42 0.00 1.58 -0.68 0.00 0.00 175.30 176.62 2kb3 n HIS 73 N 0.42 0.00 0.00 -0.53 -0.00 -1.26 -4.14 115.22 109.70 2kb3 n HIS 73 Ca -0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.04 2kb3 n HIS 73 Cb 0.55 -0.75 0.00 0.00 -0.12 0.00 0.00 29.99 29.67 2kb3 n HIS 73 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2kb3 n PRO 74 N -0.74 0.00 0.06 1.57 -0.04 -1.26 -0.46 135.00 134.14 2kb3 n PRO 74 Ca 0.00 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 2kb3 n PRO 74 Cb 0.00 -1.62 0.49 0.00 -0.04 0.00 0.00 33.50 32.32 2kb3 n PRO 74 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kb3 n GLU 75 N -1.15 0.16 -3.17 0.54 -0.58 -1.26 -4.68 120.64 110.49 2kb3 n GLU 75 Ca 0.00 0.14 -0.39 0.00 -0.42 0.00 0.00 57.16 56.49 2kb3 n GLU 75 Cb 0.12 -1.69 -0.06 0.00 -0.57 0.00 0.00 31.44 29.25 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2kb3 s SER 76 N -3.92 7.01 0.03 1.62 0.01 0.40 -4.79 113.70 114.05 2kb3 s SER 76 Ca 0.12 1.21 -0.17 0.00 1.31 0.00 0.00 55.95 58.41 2kb3 s SER 76 Cb 0.15 -2.38 -0.26 0.00 0.21 0.00 0.00 66.02 63.73 2kb3 s SER 76 CO 0.56 0.09 1.09 -0.78 0.41 0.00 0.00 173.24 174.61 2kb3 h ASP 77 N 5.64 0.71 -3.26 2.44 1.82 -0.77 -3.38 116.42 119.62 2kb3 h ASP 77 Ca -0.45 -0.80 -0.72 0.00 -0.39 0.00 0.00 57.03 54.67 2kb3 h ASP 77 Cb 1.20 -0.22 -0.21 0.00 0.68 0.00 0.00 39.33 40.79 2kb3 h ASP 77 CO 0.70 1.42 -0.15 -0.63 -1.61 0.00 0.00 179.24 178.97 2kb3 s ILE 78 N -3.06 5.07 -0.48 2.25 -1.09 0.59 -4.96 121.20 119.51 2kb3 s ILE 78 Ca -0.11 -0.85 -0.24 0.00 -2.23 0.00 0.00 60.65 57.22 2kb3 s ILE 78 Cb 0.04 -4.22 0.03 0.00 -1.58 0.00 0.00 42.46 36.73 2kb3 s ILE 78 CO 0.88 -0.71 0.84 0.12 -1.23 0.00 0.00 174.94 174.84 2kb3 s PHE 79 N 2.08 2.94 -0.02 3.97 2.19 -1.26 -2.15 117.98 125.72 2kb3 s PHE 79 Ca 0.09 0.13 -0.11 0.00 0.33 0.00 0.00 56.93 57.36 2kb3 s PHE 79 Cb -0.22 -3.81 -0.05 0.00 -1.31 0.00 0.00 43.02 37.63 2kb3 s PHE 79 CO 0.09 -1.10 0.32 -0.51 1.83 0.00 0.00 175.22 175.85 2kb3 s LEU 80 N 3.50 4.43 -0.29 6.12 1.43 0.13 -4.97 118.68 129.02 2kb3 s LEU 80 Ca 0.31 0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 54.08 2kb3 s LEU 80 Cb -0.12 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2kb3 s LEU 80 CO 0.22 0.32 0.14 -0.62 0.23 0.00 0.00 176.35 176.65 2kb3 s ASP 81 N -1.21 5.53 0.31 2.29 -1.08 -1.26 -4.51 116.67 116.74 2kb3 s ASP 81 Ca 0.23 -0.36 -0.09 0.00 -0.52 0.00 0.00 52.55 51.82 2kb3 s ASP 81 Cb -0.15 -2.01 0.01 0.00 -1.46 0.00 0.00 42.92 39.31 2kb3 s ASP 81 CO 0.12 -0.13 0.52 -0.62 0.52 0.00 0.00 175.17 175.57 2kb3 s ASP 82 N 1.64 0.36 0.03 -0.34 2.15 -1.26 -4.66 116.67 114.59 2kb3 s ASP 82 Ca 0.05 -1.21 -0.00 0.00 0.43 0.00 0.00 52.55 51.82 2kb3 s ASP 82 Cb -0.16 0.66 -0.26 0.00 -0.30 0.00 0.00 42.92 42.85 2kb3 s ASP 82 CO 0.06 -1.29 0.95 0.58 -0.17 0.00 0.00 175.17 175.31 2kb3 h VAL 83 N 2.16 1.27 -3.05 1.11 2.07 -2.05 -3.45 116.25 114.30 2kb3 h VAL 83 Ca -0.28 -2.92 -0.55 0.00 0.82 0.00 0.00 66.70 63.77 2kb3 h VAL 83 Cb 1.25 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 33.77 2kb3 h VAL 83 CO 0.38 0.82 0.72 -0.89 0.02 0.00 0.00 177.57 178.63 2kb3 s THR 84 N -2.64 4.16 -0.71 2.57 2.01 -1.26 -4.96 115.64 114.82 2kb3 s THR 84 Ca -0.06 1.49 -0.22 0.00 0.31 0.00 0.00 61.69 63.21 2kb3 s THR 84 Cb 0.07 -3.96 0.08 0.00 0.01 0.00 0.00 72.50 68.71 2kb3 s THR 84 CO 0.85 -0.00 0.99 -0.69 -0.69 0.00 0.00 174.62 175.08 2kb3 s VAL 85 N 2.24 4.41 -0.71 3.82 1.01 -1.26 -4.86 120.40 125.05 2kb3 s VAL 85 Ca 0.57 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2kb3 s VAL 85 Cb -0.26 -4.70 0.18 0.00 0.00 0.00 0.00 36.38 31.61 2kb3 s VAL 85 CO 0.23 -1.46 0.58 -0.55 0.00 0.00 0.00 175.10 173.89 2kb3 s SER 86 N 3.70 5.90 0.47 3.32 0.15 -1.26 -4.72 113.70 121.26 2kb3 s SER 86 Ca 0.24 -2.77 0.15 0.00 0.70 0.00 0.00 55.95 54.27 2kb3 s SER 86 Cb -0.15 -2.01 1.14 0.00 -1.71 0.00 0.00 66.02 63.29 2kb3 s SER 86 CO 0.06 -0.46 2.05 0.08 1.20 0.00 0.00 173.24 176.17 2kb3 h ARG 87 N 7.38 0.23 -2.23 5.44 0.11 -1.90 0.13 114.38 123.54 2kb3 h ARG 87 Ca 0.03 -0.01 -0.43 0.00 0.10 0.00 0.00 59.98 59.67 2kb3 h ARG 87 Cb 0.99 -0.05 -0.34 0.00 1.11 0.00 0.00 29.97 31.68 2kb3 h ARG 87 CO 0.74 0.15 -0.72 1.03 0.10 0.00 0.00 179.97 181.26 2kb3 s ARG 88 N -5.24 0.50 -0.22 0.08 1.81 -1.26 -4.58 118.95 110.03 2kb3 s ARG 88 Ca -0.06 -0.78 -0.16 0.00 -1.72 0.00 0.00 55.73 53.01 2kb3 s ARG 88 Cb 0.18 -0.89 -0.11 0.00 -0.45 0.00 0.00 34.95 33.69 2kb3 s ARG 88 CO 0.72 -1.14 -0.21 1.58 -0.68 0.00 0.00 175.30 175.56 2kb3 n HIS 89 N 4.54 0.34 -3.53 -0.53 -0.00 -1.19 -3.69 115.22 111.15 2kb3 n HIS 89 Ca 0.07 0.15 -0.11 0.00 -0.00 0.00 0.00 57.72 57.82 2kb3 n HIS 89 Cb 0.43 -0.88 -0.03 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 -2.60 -1.29 0.01 1.57 0.00 -1.10 -0.18 121.76 118.17 2kb3 s ALA 90 Ca -0.31 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.86 2kb3 s ALA 90 Cb 0.09 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 2kb3 s ALA 90 CO 0.46 -0.73 -0.01 -1.83 0.00 0.00 0.00 175.76 173.65 2kb3 s GLU 91 N -3.78 0.12 -0.24 0.00 -1.05 0.11 -0.14 118.70 113.72 2kb3 s GLU 91 Ca 0.03 -0.24 -0.08 0.00 -0.15 0.00 0.00 54.97 54.53 2kb3 s GLU 91 Cb -0.00 0.04 -0.03 0.00 -0.44 0.00 0.00 34.13 33.70 2kb3 s GLU 91 CO -0.11 -0.02 0.08 -0.06 0.95 0.00 0.00 175.26 176.10 2kb3 s PHE 92 N -0.58 3.13 0.00 4.83 0.08 0.13 -0.78 117.98 124.80 2kb3 s PHE 92 Ca -0.06 -0.25 0.06 0.00 0.12 0.00 0.00 56.93 56.80 2kb3 s PHE 92 Cb -0.04 -2.22 -0.03 0.00 -0.57 0.00 0.00 43.02 40.16 2kb3 s PHE 92 CO -0.00 -0.23 -0.17 1.03 -0.10 0.00 0.00 175.22 175.75 2kb3 s ARG 93 N 1.37 2.23 -0.28 0.44 0.52 0.19 -0.17 118.95 123.25 2kb3 s ARG 93 Ca 0.05 -0.87 -0.03 0.00 -0.52 0.00 0.00 55.73 54.36 2kb3 s ARG 93 Cb -0.15 -2.24 0.03 0.00 0.52 0.00 0.00 34.95 33.12 2kb3 s ARG 93 CO 0.04 0.57 -0.01 0.42 0.02 0.00 0.00 175.30 176.34 2kb3 s ILE 94 N -0.83 3.09 -0.08 1.52 1.09 0.80 -0.37 121.20 126.42 2kb3 s ILE 94 Ca 0.13 -1.12 -0.00 0.00 -1.10 0.00 0.00 60.65 58.55 2kb3 s ILE 94 Cb -0.10 -2.66 0.02 0.00 -1.06 0.00 0.00 42.46 38.66 2kb3 s ILE 94 CO 0.03 0.05 -0.04 0.21 -0.10 0.00 0.00 174.94 175.09 2kb3 s ASN 95 N 1.32 1.69 -1.46 3.58 2.47 0.45 -4.45 114.94 118.54 2kb3 s ASN 95 Ca -0.02 -0.19 -0.10 0.00 0.42 0.00 0.00 52.86 52.98 2kb3 s ASN 95 Cb -0.18 -0.62 0.04 0.00 -1.45 0.00 0.00 41.25 39.05 2kb3 s ASN 95 CO -0.02 -0.12 0.86 -0.62 -3.72 0.00 0.00 177.10 173.48 2kb3 n GLU 96 N 4.75 -5.64 -0.15 0.43 1.02 -1.26 -0.98 120.64 118.81 2kb3 n GLU 96 Ca -0.14 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 2kb3 n GLU 96 Cb 0.50 -5.62 0.00 0.00 -0.02 0.00 0.00 31.44 26.31 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kb3 n GLY 97 N -1.65 1.84 3.87 0.62 0.00 -1.26 -5.02 105.19 103.59 2kb3 n GLY 97 Ca -0.01 0.00 -0.31 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 -0.30 3.26 -0.18 1.61 2.02 -0.15 -4.92 118.70 120.04 2kb3 s GLU 98 Ca 0.00 -0.53 -0.04 0.00 0.02 0.00 0.00 54.97 54.42 2kb3 s GLU 98 Cb 0.00 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 2kb3 s GLU 98 CO 0.00 0.59 -0.02 -0.06 0.02 0.00 0.00 175.26 175.79 2kb3 s PHE 99 N -1.49 3.02 0.05 1.61 0.40 -1.26 -0.41 117.98 119.90 2kb3 s PHE 99 Ca 0.33 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 56.26 2kb3 s PHE 99 Cb -0.13 -2.03 -0.02 0.00 0.51 0.00 0.00 43.02 41.35 2kb3 s PHE 99 CO 0.26 -0.19 -0.13 -1.83 0.70 0.00 0.00 175.22 174.02 2kb3 s GLU 100 N 0.78 0.84 -0.20 0.44 -1.05 0.50 -0.17 118.70 119.84 2kb3 s GLU 100 Ca -0.01 -0.83 -0.03 0.00 -0.15 0.00 0.00 54.97 53.95 2kb3 s GLU 100 Cb -0.14 -0.83 -0.01 0.00 -0.44 0.00 0.00 34.13 32.71 2kb3 s GLU 100 CO 0.02 0.19 -0.07 0.08 0.95 0.00 0.00 175.26 176.44 2kb3 s VAL 101 N -1.06 3.27 -0.16 1.83 1.01 0.62 -0.64 120.40 125.27 2kb3 s VAL 101 Ca -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2kb3 s VAL 101 Cb -0.09 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2kb3 s VAL 101 CO 0.02 0.45 -0.21 0.68 0.00 0.00 0.00 175.10 176.04 2kb3 s VAL 102 N 1.16 2.08 0.04 2.92 -7.23 0.04 -1.06 120.40 118.35 2kb3 s VAL 102 Ca 0.02 -0.95 -0.21 0.00 -1.81 0.00 0.00 61.98 59.02 2kb3 s VAL 102 Cb -0.14 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 34.88 2kb3 s VAL 102 CO -0.02 0.54 0.63 -0.62 -0.31 0.00 0.00 175.10 175.33 2kb3 s ASP 103 N 1.07 7.08 0.00 4.85 2.15 0.84 -0.72 116.67 131.94 2kb3 s ASP 103 Ca -0.01 1.28 0.00 0.00 0.43 0.00 0.00 52.55 54.26 2kb3 s ASP 103 Cb -0.14 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2kb3 s ASP 103 CO -0.08 0.15 0.46 1.33 -0.17 0.00 0.00 175.17 176.87 2kb3 n VAL 104 N 2.32 0.21 -3.11 1.11 0.24 0.75 -4.83 118.33 115.01 2kb3 n VAL 104 Ca -0.07 -0.29 -0.17 0.00 -2.04 0.00 0.00 64.34 61.77 2kb3 n VAL 104 Cb 0.51 1.18 -0.02 0.00 -1.47 0.00 0.00 33.84 34.03 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 -0.10 3.26 0.06 7.63 0.00 0.15 -4.82 105.19 111.35 2kb3 n GLY 105 Ca 0.00 -1.58 0.04 0.00 0.00 0.00 0.00 46.02 44.48 2kb3 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb3 n SER 106 N 0.24 0.19 0.29 1.61 7.64 -1.26 -2.03 113.62 120.30 2kb3 n SER 106 Ca 0.22 0.59 0.18 0.00 1.01 0.00 0.00 58.87 60.88 2kb3 n SER 106 Cb 0.68 -0.62 0.82 0.00 -1.01 0.00 0.00 64.21 64.08 2kb3 n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kb3 h LEU 107 N 0.00 0.00 -0.38 -3.43 -0.00 -1.91 -0.47 115.31 109.12 2kb3 h LEU 107 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kb3 h LEU 107 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2kb3 h LEU 107 CO 0.00 0.02 -0.24 0.59 -0.00 0.00 0.00 178.44 178.81 2kb3 n ASN 108 N -3.14 0.82 -1.55 -0.43 3.02 -0.86 -2.23 115.26 110.89 2kb3 n ASN 108 Ca -0.00 -0.73 -0.00 0.00 -0.03 0.00 0.00 54.58 53.82 2kb3 n ASN 108 Cb 0.25 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kb3 n GLY 109 N 1.34 0.12 3.70 7.41 0.00 -0.19 -3.52 105.19 114.06 2kb3 n GLY 109 Ca 0.12 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.00 4.04 0.00 2.61 2.01 -1.26 -4.06 115.64 115.98 2kb3 s THR 110 Ca 0.01 1.43 0.01 0.00 0.31 0.00 0.00 61.69 63.45 2kb3 s THR 110 Cb -0.00 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 2kb3 s THR 110 CO 0.02 0.05 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.65 2kb3 s TYR 111 N 1.71 0.42 -0.16 4.92 1.51 -1.06 -3.99 117.35 120.70 2kb3 s TYR 111 Ca 0.59 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 56.52 2kb3 s TYR 111 Cb -0.28 -0.27 0.02 0.00 -0.11 0.00 0.00 41.96 41.32 2kb3 s TYR 111 CO 0.26 -0.02 -0.16 0.08 -1.11 0.00 0.00 175.55 174.61 2kb3 s VAL 112 N -0.29 1.72 -1.45 0.71 1.01 0.86 -0.23 120.40 122.73 2kb3 s VAL 112 Ca -0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 2kb3 s VAL 112 Cb -0.03 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.79 2kb3 s VAL 112 CO -0.00 0.46 1.02 0.59 0.00 0.00 0.00 175.10 177.17 2kb3 n ASN 113 N 4.72 -5.60 -0.62 3.32 3.02 0.14 -0.76 115.26 119.49 2kb3 n ASN 113 Ca -0.18 -0.62 -0.08 0.00 -0.03 0.00 0.00 54.58 53.67 2kb3 n ASN 113 Cb 0.50 -4.44 -0.03 0.00 -0.61 0.00 0.00 39.78 35.19 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kb3 n ARG 114 N -4.74 -1.26 -4.70 3.52 3.00 -1.26 -3.39 116.66 107.82 2kb3 n ARG 114 Ca 0.01 0.72 -0.33 0.00 -0.01 0.00 0.00 57.85 58.24 2kb3 n ARG 114 Cb 0.55 -4.85 -0.13 0.00 0.00 0.00 0.00 32.46 28.03 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2kb3 s GLU 115 N -2.42 3.13 0.01 5.56 0.41 0.06 -4.84 118.70 120.62 2kb3 s GLU 115 Ca 0.00 -0.63 -0.30 0.00 -0.41 0.00 0.00 54.97 53.63 2kb3 s GLU 115 Cb 0.00 -2.62 -0.07 0.00 -1.78 0.00 0.00 34.13 29.66 2kb3 s GLU 115 CO 0.00 0.39 1.61 -1.25 -0.49 0.00 0.00 175.26 175.52 2kb3 s PRO 116 N -0.10 4.21 -0.18 0.39 0.04 -1.26 -0.10 135.00 138.00 2kb3 s PRO 116 Ca -0.01 2.22 -0.15 0.00 0.04 0.00 0.00 61.00 63.11 2kb3 s PRO 116 Cb -0.14 -3.73 0.05 0.00 0.04 0.00 0.00 34.50 30.72 2kb3 s PRO 116 CO 0.03 -0.75 0.47 0.50 0.04 0.00 0.00 177.00 177.29 2kb3 s ARG 117 N 3.10 0.52 -0.10 4.56 6.06 -1.26 -4.91 118.95 126.92 2kb3 s ARG 117 Ca 0.72 0.71 -0.10 0.00 -2.50 0.00 0.00 55.73 54.56 2kb3 s ARG 117 Cb -0.36 0.20 -0.05 0.00 0.06 0.00 0.00 34.95 34.80 2kb3 s ARG 117 CO 0.30 -0.09 -0.21 0.09 -2.50 0.00 0.00 175.30 172.89 2kb3 n ASN 118 N 3.22 1.47 -4.18 -2.12 4.13 -1.26 -4.65 115.26 111.86 2kb3 n ASN 118 Ca -0.16 0.24 -0.29 0.00 1.68 0.00 0.00 54.58 56.05 2kb3 n ASN 118 Cb 0.57 -0.55 -0.17 0.00 -1.54 0.00 0.00 39.78 38.09 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 s ALA 119 N -2.47 1.88 -0.03 5.41 0.00 -1.26 -0.11 121.76 125.19 2kb3 s ALA 119 Ca -0.20 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 50.68 2kb3 s ALA 119 Cb 0.05 -0.66 0.05 0.00 0.00 0.00 0.00 23.12 22.55 2kb3 s ALA 119 CO 0.27 0.30 0.52 1.14 0.00 0.00 0.00 175.76 177.99 2kb3 s GLN 120 N 0.18 0.91 0.11 0.00 -2.07 -0.23 -5.00 119.66 113.55 2kb3 s GLN 120 Ca -0.10 0.03 -0.30 0.00 -1.82 0.00 0.00 55.36 53.16 2kb3 s GLN 120 Cb -0.15 0.42 -0.06 0.00 -1.09 0.00 0.00 33.01 32.13 2kb3 s GLN 120 CO 0.05 -0.28 1.16 0.08 -1.32 0.00 0.00 175.29 174.98 2kb3 s VAL 121 N -1.39 3.96 -0.10 3.63 1.01 -1.26 -0.28 120.40 125.96 2kb3 s VAL 121 Ca -0.11 1.51 -0.21 0.00 0.00 0.00 0.00 61.98 63.17 2kb3 s VAL 121 Cb -0.02 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2kb3 s VAL 121 CO 0.06 0.18 0.60 -0.32 0.00 0.00 0.00 175.10 175.63 2kb3 s MET 122 N 0.46 4.37 0.22 2.72 1.75 0.76 -4.84 119.30 124.74 2kb3 s MET 122 Ca 0.55 0.68 0.11 0.00 -1.25 0.00 0.00 55.69 55.78 2kb3 s MET 122 Cb -0.30 -3.46 -0.05 0.00 2.84 0.00 0.00 34.83 33.87 2kb3 s MET 122 CO 0.32 0.06 -0.18 -0.65 -0.65 0.00 0.00 175.02 173.92 2kb3 s GLN 123 N 0.88 1.74 0.10 4.11 -0.21 -1.26 -4.66 119.66 120.36 2kb3 s GLN 123 Ca 0.32 -1.54 -0.31 0.00 0.02 0.00 0.00 55.36 53.85 2kb3 s GLN 123 Cb -0.16 -1.91 -0.07 0.00 1.00 0.00 0.00 33.01 31.87 2kb3 s GLN 123 CO 0.14 0.38 1.31 -0.08 -2.12 0.00 0.00 175.29 174.92 2kb3 s THR 124 N -2.00 3.60 0.00 -0.19 -1.32 -1.01 -2.21 115.64 112.52 2kb3 s THR 124 Ca 0.25 1.16 0.00 0.00 -1.21 0.00 0.00 61.69 61.89 2kb3 s THR 124 Cb -0.07 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 67.18 2kb3 s THR 124 CO 0.13 0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 2kb3 n GLY 125 N 3.33 0.32 3.75 6.08 0.00 0.11 -0.98 105.19 117.79 2kb3 n GLY 125 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2kb3 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kb3 s ASP 126 N -2.55 6.84 -0.17 1.61 1.01 -0.94 -4.69 116.67 117.79 2kb3 s ASP 126 Ca 0.00 2.55 -0.02 0.00 0.71 0.00 0.00 52.55 55.79 2kb3 s ASP 126 Cb 0.00 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 2kb3 s ASP 126 CO 0.00 -0.52 -0.09 -1.83 0.21 0.00 0.00 175.17 172.94 2kb3 s GLU 127 N -0.97 3.42 -0.23 8.23 -1.05 -1.26 -0.89 118.70 125.95 2kb3 s GLU 127 Ca 0.53 -0.64 -0.02 0.00 -0.15 0.00 0.00 54.97 54.69 2kb3 s GLU 127 Cb -0.38 -2.80 0.02 0.00 -0.44 0.00 0.00 34.13 30.52 2kb3 s GLU 127 CO 0.45 0.07 -0.07 0.42 0.95 0.00 0.00 175.26 177.08 2kb3 s ILE 128 N 0.76 2.90 -0.22 1.83 1.01 0.91 0.24 121.20 128.62 2kb3 s ILE 128 Ca -0.04 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 2kb3 s ILE 128 Cb -0.15 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 2kb3 s ILE 128 CO 0.02 0.30 0.06 0.00 0.00 0.00 0.00 174.94 175.32 2kb3 s GLN 129 N 1.36 3.77 -0.42 2.79 -2.07 0.68 -0.16 119.66 125.61 2kb3 s GLN 129 Ca 0.02 -0.43 -0.06 0.00 -1.82 0.00 0.00 55.36 53.07 2kb3 s GLN 129 Cb -0.16 -3.27 0.10 0.00 -1.09 0.00 0.00 33.01 28.59 2kb3 s GLN 129 CO -0.05 -0.01 0.24 0.42 -1.32 0.00 0.00 175.29 174.57 2kb3 s ILE 130 N 1.14 3.76 0.00 3.63 -1.09 0.37 -2.57 121.20 126.43 2kb3 s ILE 130 Ca 0.04 -1.77 0.00 0.00 -2.23 0.00 0.00 60.65 56.69 2kb3 s ILE 130 Cb -0.14 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 2kb3 s ILE 130 CO 0.03 -0.63 0.00 0.61 -1.23 0.00 0.00 174.94 173.73 2kb3 n GLY 131 N 4.76 0.33 0.06 6.18 0.00 -1.23 -0.21 105.19 115.08 2kb3 n GLY 131 Ca -0.07 0.67 0.03 0.00 0.00 0.00 0.00 46.02 46.65 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 0.66 -2.56 1.61 2.85 -1.26 -4.57 118.16 114.89 2kb3 n LYS 132 Ca 0.00 -0.04 -0.35 0.00 -1.05 0.00 0.00 58.31 56.87 2kb3 n LYS 132 Cb 0.00 -1.59 -0.04 0.00 -0.65 0.00 0.00 35.03 32.75 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2kb3 s PHE 133 N -3.10 3.11 -0.05 5.58 0.40 0.71 -4.47 117.98 120.17 2kb3 s PHE 133 Ca -0.07 1.60 -0.02 0.00 -0.60 0.00 0.00 56.93 57.85 2kb3 s PHE 133 Cb 0.10 -3.08 0.03 0.00 0.51 0.00 0.00 43.02 40.58 2kb3 s PHE 133 CO 0.86 -0.72 0.04 -0.98 0.70 0.00 0.00 175.22 175.12 2kb3 s ARG 134 N -2.95 0.17 -0.10 0.44 1.70 -0.41 -0.48 118.95 117.32 2kb3 s ARG 134 Ca 0.63 0.28 -0.05 0.00 -0.47 0.00 0.00 55.73 56.13 2kb3 s ARG 134 Cb -0.18 -0.67 -0.04 0.00 -0.57 0.00 0.00 34.95 33.49 2kb3 s ARG 134 CO 0.22 -0.32 0.07 -0.51 -1.08 0.00 0.00 175.30 173.69 2kb3 s LEU 135 N 2.09 4.00 -0.17 -1.89 2.01 0.78 -0.79 118.68 124.70 2kb3 s LEU 135 Ca 0.05 0.31 -0.00 0.00 0.01 0.00 0.00 54.13 54.49 2kb3 s LEU 135 Cb -0.12 -1.95 0.00 0.00 0.01 0.00 0.00 46.19 44.13 2kb3 s LEU 135 CO -0.04 0.39 -0.14 -0.69 1.01 0.00 0.00 176.35 176.88 2kb3 s VAL 136 N -0.94 2.65 -0.15 -1.59 1.01 0.54 -0.06 120.40 121.86 2kb3 s VAL 136 Ca 0.14 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2kb3 s VAL 136 Cb -0.12 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2kb3 s VAL 136 CO 0.03 0.50 0.36 0.12 0.00 0.00 0.00 175.10 176.11 2kb3 s PHE 137 N 1.04 3.47 -0.07 5.22 5.36 -0.07 -0.47 117.98 132.47 2kb3 s PHE 137 Ca -0.01 0.69 0.04 0.00 -0.96 0.00 0.00 56.93 56.69 2kb3 s PHE 137 Cb -0.15 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 2kb3 s PHE 137 CO -0.04 0.20 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.21 2kb3 s LEU 138 N 0.55 1.96 -0.16 6.12 1.02 0.37 0.04 118.68 128.59 2kb3 s LEU 138 Ca 0.20 -0.46 -0.05 0.00 0.02 0.00 0.00 54.13 53.84 2kb3 s LEU 138 Cb -0.14 -1.20 -0.03 0.00 0.02 0.00 0.00 46.19 44.84 2kb3 s LEU 138 CO 0.06 0.15 0.01 0.00 0.02 0.00 0.00 176.35 176.59 2kb3 s ALA 139 N 0.25 3.22 0.00 4.21 0.00 -1.26 -1.16 121.76 127.02 2kb3 s ALA 139 Ca -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2kb3 s ALA 139 Cb -0.15 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.26 2kb3 s ALA 139 CO 0.06 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.48 2kb3 n GLY 140 N 3.33 0.68 3.79 0.00 0.00 -0.03 -4.88 105.19 108.07 2kb3 n GLY 140 Ca -0.17 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2kb3 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kb3 s PRO 141 N 0.05 3.00 -0.47 1.61 0.04 -1.25 -4.68 135.00 133.30 2kb3 s PRO 141 Ca 0.00 1.25 0.07 0.00 0.04 0.00 0.00 61.00 62.36 2kb3 s PRO 141 Cb 0.00 -1.99 0.18 0.00 0.04 0.00 0.00 34.50 32.74 2kb3 s PRO 141 CO 0.00 -1.07 0.63 0.00 0.04 0.00 0.00 177.00 176.59 2kb3 s ALA 142 N -2.49 -1.64 -2.51 8.56 0.00 -1.26 -4.71 121.76 117.72 2kb3 s ALA 142 Ca 0.64 -0.53 0.20 0.00 0.00 0.00 0.00 51.96 52.27 2kb3 s ALA 142 Cb -0.18 -2.54 0.16 0.00 0.00 0.00 0.00 23.12 20.56 2kb3 s ALA 142 CO 0.42 -2.20 1.13 -1.91 0.00 0.00 0.00 175.76 173.20