#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 2.84 -4.70 7.83 7.64 -1.26 -4.94 113.62 121.03 2kb3 n SER 2 Ca 0.00 -2.12 -0.32 0.00 1.01 0.00 0.00 58.87 57.45 2kb3 n SER 2 Cb 0.00 -0.38 0.14 0.00 -1.01 0.00 0.00 64.21 62.96 2kb3 n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kb3 s ASP 3 N -0.90 3.42 1.01 6.43 1.11 -1.26 -5.03 116.67 121.44 2kb3 s ASP 3 Ca 0.33 2.17 -0.14 0.00 0.18 0.00 0.00 52.55 55.08 2kb3 s ASP 3 Cb 0.19 -2.56 0.19 0.00 1.07 0.00 0.00 42.92 41.81 2kb3 s ASP 3 CO 0.19 -2.77 1.13 0.59 1.18 0.00 0.00 175.17 175.50 2kb3 n ASN 4 N -3.82 0.02 -4.50 0.27 3.02 -1.26 -4.95 115.26 104.04 2kb3 n ASN 4 Ca 0.12 -1.40 -0.42 0.00 -0.03 0.00 0.00 54.58 52.84 2kb3 n ASN 4 Cb 0.52 -0.87 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 2kb3 n ASN 4 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2kb3 s ASN 5 N -5.13 6.39 0.49 6.41 0.01 -1.26 -4.98 114.94 116.87 2kb3 s ASN 5 Ca 0.64 -1.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.47 2kb3 s ASN 5 Cb -0.02 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.16 2kb3 s ASN 5 CO 0.45 -1.42 0.00 0.61 -1.51 0.00 0.00 177.10 175.23 2kb3 n GLY 6 N 5.82 -0.64 3.51 0.66 0.00 -1.26 -5.03 105.19 108.25 2kb3 n GLY 6 Ca 0.16 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2kb3 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kb3 s THR 7 N -0.33 5.25 0.22 2.61 -4.23 -1.26 -5.04 115.64 112.86 2kb3 s THR 7 Ca 0.00 -0.33 -0.31 0.00 -1.18 0.00 0.00 61.69 59.87 2kb3 s THR 7 Cb 0.00 -3.82 -0.11 0.00 1.34 0.00 0.00 72.50 69.91 2kb3 s THR 7 CO 0.00 -0.15 1.56 -2.84 -0.54 0.00 0.00 174.62 172.65 2kb3 s PRO 8 N 1.78 4.20 0.25 3.99 0.02 -1.26 -4.96 135.00 139.01 2kb3 s PRO 8 Ca 0.07 2.43 -0.29 0.00 0.02 0.00 0.00 61.00 63.22 2kb3 s PRO 8 Cb -0.18 -3.10 -0.09 0.00 0.02 0.00 0.00 34.50 31.15 2kb3 s PRO 8 CO 0.11 -0.58 0.96 -1.83 -0.33 0.00 0.00 177.00 175.33 2kb3 s GLU 9 N 0.33 4.80 -0.81 5.54 -1.05 -1.26 -4.92 118.70 121.33 2kb3 s GLU 9 Ca 0.66 1.51 -0.25 0.00 -0.15 0.00 0.00 54.97 56.73 2kb3 s GLU 9 Cb -0.45 -3.22 -0.06 0.00 -0.44 0.00 0.00 34.13 29.97 2kb3 s GLU 9 CO 0.39 0.46 2.03 -2.14 0.95 0.00 0.00 175.26 176.94 2kb3 s PRO 10 N -1.31 2.39 0.13 -4.83 0.02 -1.26 -4.91 135.00 125.23 2kb3 s PRO 10 Ca 0.42 0.08 0.11 0.00 0.02 0.00 0.00 61.00 61.64 2kb3 s PRO 10 Cb -0.26 -4.87 -0.04 0.00 0.02 0.00 0.00 34.50 29.35 2kb3 s PRO 10 CO 0.32 -3.42 -0.26 -0.65 -0.33 0.00 0.00 177.00 172.66 2kb3 s GLN 11 N 7.37 1.45 -0.22 5.54 -1.52 -1.26 -5.11 119.66 125.91 2kb3 s GLN 11 Ca 0.74 -1.33 -0.05 0.00 -1.95 0.00 0.00 55.36 52.78 2kb3 s GLN 11 Cb -0.09 -1.93 -0.02 0.00 -0.22 0.00 0.00 33.01 30.75 2kb3 s GLN 11 CO 0.06 0.45 0.00 0.08 -0.25 0.00 0.00 175.29 175.64 2kb3 s VAL 12 N -1.06 3.85 0.40 1.09 1.01 -1.26 -5.08 120.40 119.34 2kb3 s VAL 12 Ca 0.14 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.86 2kb3 s VAL 12 Cb -0.10 -2.76 -0.07 0.00 0.00 0.00 0.00 36.38 33.44 2kb3 s VAL 12 CO 0.06 0.40 0.02 -0.70 0.00 0.00 0.00 175.10 174.88 2kb3 s GLU 13 N 1.35 1.98 1.04 2.72 2.56 -1.26 -5.25 118.70 121.84 2kb3 s GLU 13 Ca 0.04 -2.05 -0.12 0.00 0.00 0.00 0.00 54.97 52.84 2kb3 s GLU 13 Cb -0.15 -1.70 0.21 0.00 2.00 0.00 0.00 34.13 34.50 2kb3 s GLU 13 CO 0.01 -0.03 1.08 0.99 -0.56 0.00 0.00 175.26 176.74 2kb3 s THR 14 N -2.68 2.07 0.00 -1.70 2.01 -1.26 -5.00 115.64 109.07 2kb3 s THR 14 Ca 0.35 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.38 2kb3 s THR 14 Cb 0.08 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.18 2kb3 s THR 14 CO 0.18 -0.03 0.00 -0.24 -0.69 0.00 0.00 174.62 173.85 2kb3 n SER 16 N -4.35 0.00 -4.65 3.53 2.88 -1.26 -4.33 113.62 105.44 2kb3 n SER 16 Ca 0.05 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.18 2kb3 n SER 16 Cb 0.57 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.97 2kb3 n SER 16 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2kb3 s VAL 17 N 0.00 4.94 -0.09 2.46 1.01 -1.19 -4.55 120.40 122.98 2kb3 s VAL 17 Ca 0.00 1.37 0.03 0.00 0.00 0.00 0.00 61.98 63.38 2kb3 s VAL 17 Cb 0.00 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.36 2kb3 s VAL 17 CO 0.00 0.04 -0.19 0.72 0.00 0.00 0.00 175.10 175.68 2kb3 s PHE 18 N 2.22 2.12 -0.33 5.22 -0.71 -1.26 -5.04 117.98 120.19 2kb3 s PHE 18 Ca 0.32 -0.88 -0.15 0.00 -1.04 0.00 0.00 56.93 55.18 2kb3 s PHE 18 Cb -0.16 -1.46 -0.02 0.00 -1.21 0.00 0.00 43.02 40.17 2kb3 s PHE 18 CO 0.10 -0.39 0.38 1.03 -1.34 0.00 0.00 175.22 175.00 2kb3 s ARG 19 N 0.57 3.64 0.00 1.99 3.00 -1.26 -4.90 118.95 122.00 2kb3 s ARG 19 Ca -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 55.73 55.27 2kb3 s ARG 19 Cb -0.17 -3.78 0.00 0.00 0.00 0.00 0.00 34.95 31.00 2kb3 s ARG 19 CO 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 175.30 174.85 2kb3 n ALA 20 N 5.42 0.00 0.14 2.13 0.00 -1.26 -5.03 120.51 121.91 2kb3 n ALA 20 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.43 2kb3 n ALA 20 Cb 0.50 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.34 2kb3 n ALA 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kb3 n ASP 21 N -1.38 0.38 0.28 0.00 5.75 -1.26 -2.40 116.55 117.92 2kb3 n ASP 21 Ca 0.00 0.61 0.15 0.00 -0.01 0.00 0.00 54.79 55.54 2kb3 n ASP 21 Cb 0.00 -0.61 0.82 0.00 -1.03 0.00 0.00 41.12 40.31 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 2kb3 h LEU 22 N 0.00 0.00 -1.49 -2.12 -0.00 -1.95 -1.12 115.31 108.63 2kb3 h LEU 22 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2kb3 h LEU 22 Cb 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.00 2kb3 h LEU 22 CO 0.00 0.07 -0.12 0.17 -0.00 0.00 0.00 178.44 178.57 2kb3 h LEU 23 N 0.00 0.00 0.08 0.17 8.10 -1.88 0.13 115.31 121.91 2kb3 h LEU 23 Ca -0.00 0.00 -0.35 0.00 0.11 0.00 0.00 57.88 57.64 2kb3 h LEU 23 Cb 0.29 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.48 2kb3 h LEU 23 CO 0.01 0.12 -1.96 1.17 -4.11 0.00 0.00 178.44 173.67 2kb3 n LYS 24 N -3.32 0.71 0.28 0.17 0.00 -0.52 -4.01 118.16 111.48 2kb3 n LYS 24 Ca -0.00 0.30 0.13 0.00 0.00 0.00 0.00 58.31 58.74 2kb3 n LYS 24 Cb 0.33 -1.68 0.82 0.00 0.00 0.00 0.00 35.03 34.50 2kb3 n LYS 24 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2kb3 h GLU 25 N -0.16 0.00 -0.51 1.64 4.22 -1.09 -2.30 114.58 116.39 2kb3 h GLU 25 Ca -0.44 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.14 2kb3 h GLU 25 Cb 1.88 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.11 2kb3 h GLU 25 CO -0.00 0.02 0.52 1.98 -2.18 0.00 0.00 179.01 179.35 2kb3 h MET 26 N 0.00 0.00 -0.76 1.92 4.05 -0.87 0.14 114.93 119.41 2kb3 h MET 26 Ca -0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2kb3 h MET 26 Cb 0.05 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 2kb3 h MET 26 CO 0.00 0.00 0.41 0.93 0.23 0.00 0.00 176.91 178.48 2kb3 h GLU 27 N 0.00 1.06 -0.09 0.39 5.08 -1.66 0.81 114.58 120.16 2kb3 h GLU 27 Ca 0.24 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 2kb3 h GLU 27 Cb 1.29 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2kb3 h GLU 27 CO -0.00 0.78 -0.68 1.03 -1.00 0.00 0.00 179.01 179.13 2kb3 h SER 28 N 1.07 0.48 0.40 1.42 0.87 -0.95 -2.55 113.55 114.28 2kb3 h SER 28 Ca 0.27 -0.30 -0.10 0.00 -1.23 0.00 0.00 61.79 60.43 2kb3 h SER 28 Cb 0.03 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2kb3 h SER 28 CO -0.04 1.02 -0.43 0.28 -0.53 0.00 0.00 176.83 177.13 2kb3 h SER 29 N 0.29 0.05 -3.32 6.23 0.02 -1.33 -3.40 113.55 112.08 2kb3 h SER 29 Ca -0.02 -0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 60.34 2kb3 h SER 29 Cb 1.25 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.69 2kb3 h SER 29 CO 0.12 0.48 0.86 -0.89 -1.14 0.00 0.00 176.83 176.26 2kb3 s THR 30 N -4.06 4.15 0.30 -2.27 2.01 0.22 -4.88 115.64 111.11 2kb3 s THR 30 Ca -0.03 0.83 -0.18 0.00 0.31 0.00 0.00 61.69 62.62 2kb3 s THR 30 Cb 0.14 -4.65 0.07 0.00 0.01 0.00 0.00 72.50 68.06 2kb3 s THR 30 CO 0.74 -1.21 0.91 -0.83 -0.69 0.00 0.00 174.62 173.55 2kb3 s GLY 31 N 2.80 0.29 -0.07 4.40 0.00 -1.26 -4.90 107.32 108.57 2kb3 s GLY 31 Ca 0.41 -0.60 -0.30 0.00 0.00 0.00 0.00 44.72 44.23 2kb3 s GLY 31 CO 0.25 1.06 1.23 -1.59 0.00 0.00 0.00 173.10 174.06 2kb3 s THR 32 N -2.12 4.21 0.19 0.90 2.01 -1.26 -5.01 115.64 114.55 2kb3 s THR 32 Ca 0.19 1.53 -0.07 0.00 0.31 0.00 0.00 61.69 63.65 2kb3 s THR 32 Cb -0.04 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 2kb3 s THR 32 CO 0.09 -0.03 0.46 0.00 -0.69 0.00 0.00 174.62 174.45 2kb3 s ALA 33 N 2.50 3.69 0.78 7.40 0.00 -1.26 -5.07 121.76 129.80 2kb3 s ALA 33 Ca 0.56 -0.44 -0.15 0.00 0.00 0.00 0.00 51.96 51.93 2kb3 s ALA 33 Cb -0.25 -2.26 0.04 0.00 0.00 0.00 0.00 23.12 20.65 2kb3 s ALA 33 CO 0.21 0.58 0.99 -2.30 0.00 0.00 0.00 175.76 175.24 2kb3 n PRO 34 N -0.06 0.28 -3.07 0.00 -0.02 -1.25 -4.98 135.00 125.90 2kb3 n PRO 34 Ca -0.01 0.16 -0.35 0.00 -2.02 0.00 0.00 63.50 61.27 2kb3 n PRO 34 Cb 0.52 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 2kb3 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb3 s ALA 35 N -2.01 3.37 0.09 3.55 0.00 -1.26 -4.71 121.76 120.80 2kb3 s ALA 35 Ca 0.71 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.93 2kb3 s ALA 35 Cb -0.31 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2kb3 s ALA 35 CO 0.53 0.31 -0.18 -1.12 0.00 0.00 0.00 175.76 175.30 2kb3 s SER 36 N -1.78 3.88 0.05 0.00 0.01 -1.26 -4.92 113.70 109.69 2kb3 s SER 36 Ca 0.46 -0.50 -0.03 0.00 1.31 0.00 0.00 55.95 57.19 2kb3 s SER 36 Cb -0.15 -0.58 -0.01 0.00 0.21 0.00 0.00 66.02 65.48 2kb3 s SER 36 CO 0.20 0.21 -0.05 0.35 0.41 0.00 0.00 173.24 174.36 2kb3 n THR 37 N 1.05 1.19 0.00 1.44 -2.24 -1.26 -5.08 114.28 109.38 2kb3 n THR 37 Ca -0.16 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2kb3 n THR 37 Cb 0.52 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 2kb3 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kb3 n GLY 38 N 3.17 -1.03 0.11 3.38 0.00 -1.26 -4.95 105.19 104.61 2kb3 n GLY 38 Ca -0.02 0.45 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 0.42 0.00 4.61 0.00 -1.99 -2.99 119.26 119.31 2kb3 h ALA 39 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2kb3 h ALA 39 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kb3 h ALA 39 CO 0.00 0.99 0.00 0.39 0.00 0.00 0.00 179.25 180.63 2kb3 n GLU 40 N -3.58 0.32 0.08 0.00 1.02 -1.26 -2.91 120.64 114.31 2kb3 n GLU 40 Ca -0.04 0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 56.95 2kb3 n GLU 40 Cb 0.87 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.64 2kb3 n GLU 40 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2kb3 h ASN 41 N 0.00 0.60 -2.89 1.62 4.21 -1.91 -3.42 115.58 113.79 2kb3 h ASN 41 Ca 0.00 -0.92 -0.60 0.00 1.21 0.00 0.00 56.30 55.98 2kb3 h ASN 41 Cb 0.23 -0.20 -0.40 0.00 -1.12 0.00 0.00 38.32 36.84 2kb3 h ASN 41 CO 0.00 1.61 -0.79 -0.76 -1.29 0.00 0.00 177.43 176.20 2kb3 s LEU 42 N -7.63 2.74 -0.06 1.61 2.01 -1.14 -4.68 118.68 111.52 2kb3 s LEU 42 Ca -0.14 -3.14 -0.05 0.00 0.01 0.00 0.00 54.13 50.82 2kb3 s LEU 42 Cb 0.03 -0.95 -0.02 0.00 0.01 0.00 0.00 46.19 45.27 2kb3 s LEU 42 CO 0.86 -0.18 -0.09 -0.81 1.01 0.00 0.00 176.35 177.14 2kb3 n PRO 43 N 2.83 0.20 0.15 1.29 -0.05 -1.23 -4.55 135.00 133.64 2kb3 n PRO 43 Ca 0.20 0.30 0.13 0.00 -0.05 0.00 0.00 63.50 64.09 2kb3 n PRO 43 Cb 0.40 -1.09 0.42 0.00 -0.05 0.00 0.00 33.50 33.18 2kb3 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2kb3 h ALA 44 N -1.58 1.00 0.00 0.55 0.00 -1.83 -3.46 119.26 113.94 2kb3 h ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kb3 h ALA 44 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kb3 h ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2kb3 n GLY 45 N 0.77 1.78 3.45 0.00 0.00 -1.26 -4.99 105.19 104.94 2kb3 n GLY 45 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.30 3.50 0.06 1.61 0.01 -1.26 -4.85 113.70 109.46 2kb3 s SER 46 Ca 0.00 -0.95 -0.09 0.00 1.31 0.00 0.00 55.95 56.22 2kb3 s SER 46 Cb 0.00 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2kb3 s SER 46 CO 0.00 0.08 0.20 0.00 0.41 0.00 0.00 173.24 173.92 2kb3 s ALA 47 N -2.09 -0.32 -0.01 1.44 0.00 -1.07 -1.29 121.76 118.43 2kb3 s ALA 47 Ca 0.25 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 51.87 2kb3 s ALA 47 Cb -0.06 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 2kb3 s ALA 47 CO 0.12 -0.42 -0.20 -0.48 0.00 0.00 0.00 175.76 174.78 2kb3 s LEU 48 N -2.39 2.06 -0.05 0.00 -0.00 -0.04 -0.08 118.68 118.17 2kb3 s LEU 48 Ca -0.01 -0.38 0.02 0.00 -0.00 0.00 0.00 54.13 53.76 2kb3 s LEU 48 Cb 0.01 -1.00 -0.03 0.00 -0.00 0.00 0.00 46.19 45.18 2kb3 s LEU 48 CO -0.07 0.23 -0.10 -1.48 -0.00 0.00 0.00 176.35 174.93 2kb3 s LEU 49 N -0.58 2.98 -0.14 1.48 0.05 0.02 -0.14 118.68 122.35 2kb3 s LEU 49 Ca 0.07 -0.12 -0.00 0.00 0.05 0.00 0.00 54.13 54.13 2kb3 s LEU 49 Cb -0.08 -1.65 -0.01 0.00 -2.05 0.00 0.00 46.19 42.41 2kb3 s LEU 49 CO -0.00 0.34 -0.13 -0.69 -0.55 0.00 0.00 176.35 175.32 2kb3 s VAL 50 N -0.81 2.94 -0.24 1.48 1.01 0.53 -0.49 120.40 124.83 2kb3 s VAL 50 Ca 0.13 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 2kb3 s VAL 50 Cb -0.11 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2kb3 s VAL 50 CO 0.02 0.52 1.12 -0.69 0.00 0.00 0.00 175.10 176.07 2kb3 s VAL 51 N 0.55 4.50 0.04 2.92 1.01 -0.49 0.00 120.40 128.94 2kb3 s VAL 51 Ca -0.09 1.79 0.03 0.00 0.00 0.00 0.00 61.98 63.72 2kb3 s VAL 51 Cb -0.16 -4.24 -0.25 0.00 0.00 0.00 0.00 36.38 31.74 2kb3 s VAL 51 CO 0.04 -0.25 1.00 0.50 0.00 0.00 0.00 175.10 176.39 2kb3 h LYS 52 N 7.91 0.12 -2.58 2.72 1.63 -1.48 0.13 116.57 125.02 2kb3 h LYS 52 Ca -0.22 -0.21 -0.09 0.00 -0.85 0.00 0.00 60.65 59.28 2kb3 h LYS 52 Cb 1.07 0.08 -0.20 0.00 -0.60 0.00 0.00 32.23 32.58 2kb3 h LYS 52 CO 0.99 0.97 -0.08 0.50 -3.45 0.00 0.00 179.45 178.38 2kb3 s ARG 53 N -2.65 0.81 0.00 1.90 6.06 -1.17 -4.72 118.95 119.17 2kb3 s ARG 53 Ca -0.04 0.08 0.00 0.00 -2.50 0.00 0.00 55.73 53.27 2kb3 s ARG 53 Cb 0.08 0.37 0.00 0.00 0.06 0.00 0.00 34.95 35.46 2kb3 s ARG 53 CO 0.84 -0.23 0.00 0.41 -2.50 0.00 0.00 175.30 173.82 2kb3 n GLY 54 N 1.32 0.69 0.30 8.12 0.00 -1.26 -3.67 105.19 110.68 2kb3 n GLY 54 Ca -0.20 -2.20 -0.06 0.00 0.00 0.00 0.00 46.02 43.57 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 8.38 0.90 -0.55 1.61 0.11 -2.00 -2.47 132.00 137.97 2kb3 h PRO 55 Ca 0.00 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2kb3 h PRO 55 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 2kb3 h PRO 55 CO 0.00 0.87 0.00 0.09 -0.21 0.00 0.00 178.00 178.75 2kb3 n ASN 56 N -4.21 2.52 -4.70 -2.05 4.13 -1.26 -4.93 115.26 104.76 2kb3 n ASN 56 Ca 0.03 -2.20 -0.43 0.00 1.68 0.00 0.00 54.58 53.66 2kb3 n ASN 56 Cb 0.30 -0.39 -0.03 0.00 -1.54 0.00 0.00 39.78 38.11 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 n ALA 57 N 0.44 2.38 0.00 5.41 0.00 -0.93 -1.56 120.51 126.25 2kb3 n ALA 57 Ca 0.13 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2kb3 n ALA 57 Cb 0.48 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 3.87 2.78 3.80 0.00 0.00 0.47 -4.98 105.19 111.13 2kb3 n GLY 58 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.68 3.30 -0.03 4.61 0.00 -0.60 -4.83 121.76 121.53 2kb3 s ALA 59 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.36 2kb3 s ALA 59 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 2kb3 s ALA 59 CO 0.00 0.25 -0.21 -0.98 0.00 0.00 0.00 175.76 174.82 2kb3 s ARG 60 N -2.08 1.91 -0.08 0.00 1.70 -1.26 -1.40 118.95 117.74 2kb3 s ARG 60 Ca 0.47 -0.74 0.03 0.00 -0.47 0.00 0.00 55.73 55.03 2kb3 s ARG 60 Cb -0.17 -1.73 0.00 0.00 -0.57 0.00 0.00 34.95 32.49 2kb3 s ARG 60 CO 0.22 0.37 -0.19 -0.06 -1.08 0.00 0.00 175.30 174.56 2kb3 s PHE 61 N -0.26 2.04 -0.13 5.89 0.08 0.36 -4.94 117.98 121.02 2kb3 s PHE 61 Ca 0.02 -0.79 -0.19 0.00 0.12 0.00 0.00 56.93 56.09 2kb3 s PHE 61 Cb -0.10 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 2kb3 s PHE 61 CO 0.01 -0.34 0.53 -1.17 -0.10 0.00 0.00 175.22 174.16 2kb3 s LEU 62 N 0.44 4.25 -0.21 -0.37 1.98 -1.26 -0.80 118.68 122.70 2kb3 s LEU 62 Ca -0.16 0.85 -0.06 0.00 -2.89 0.00 0.00 54.13 51.87 2kb3 s LEU 62 Cb -0.16 -2.77 -0.03 0.00 0.66 0.00 0.00 46.19 43.88 2kb3 s LEU 62 CO 0.06 -0.07 0.04 -0.76 -1.89 0.00 0.00 176.35 173.73 2kb3 s LEU 63 N 0.94 3.42 0.00 -0.68 1.43 0.88 -4.94 118.68 119.74 2kb3 s LEU 63 Ca 0.28 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 2kb3 s LEU 63 Cb -0.16 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.18 2kb3 s LEU 63 CO 0.11 0.05 0.14 -0.90 0.23 0.00 0.00 176.35 175.98 2kb3 n ASP 64 N 4.36 0.19 -4.75 2.29 5.75 -1.26 -2.61 116.55 120.52 2kb3 n ASP 64 Ca -0.17 -1.02 -0.28 0.00 -0.01 0.00 0.00 54.79 53.32 2kb3 n ASP 64 Cb 0.52 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.54 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kb3 s GLN 65 N -0.02 2.73 0.65 0.11 -2.07 -1.26 -4.99 119.66 114.80 2kb3 s GLN 65 Ca 0.00 -0.87 0.28 0.00 -1.82 0.00 0.00 55.36 52.95 2kb3 s GLN 65 Cb 0.00 -2.59 1.49 0.00 -1.09 0.00 0.00 33.01 30.82 2kb3 s GLN 65 CO 0.00 0.51 1.85 -1.00 -1.32 0.00 0.00 175.29 175.33 2kb3 h PRO 66 N 2.85 0.00 -3.18 9.60 0.13 -1.93 -3.39 132.00 136.09 2kb3 h PRO 66 Ca -0.47 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.35 2kb3 h PRO 66 Cb 1.19 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.96 2kb3 h PRO 66 CO 0.62 0.00 -0.66 0.99 -0.23 0.00 0.00 178.00 178.72 2kb3 s THR 67 N -4.23 -0.19 -0.18 1.56 2.01 -1.26 -0.23 115.64 113.12 2kb3 s THR 67 Ca -0.03 0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.31 2kb3 s THR 67 Cb 0.10 -0.25 0.05 0.00 0.01 0.00 0.00 72.50 72.41 2kb3 s THR 67 CO 0.33 0.14 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.48 2kb3 s THR 68 N 2.08 1.10 0.04 -0.82 2.01 0.83 -4.95 115.64 115.93 2kb3 s THR 68 Ca 0.02 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 2kb3 s THR 68 Cb -0.12 -1.35 -0.06 0.00 0.01 0.00 0.00 72.50 70.99 2kb3 s THR 68 CO -0.05 0.02 0.39 -0.89 -0.69 0.00 0.00 174.62 173.40 2kb3 s THR 69 N 1.62 5.10 -0.05 -0.82 2.01 -1.26 0.17 115.64 122.40 2kb3 s THR 69 Ca -0.01 0.56 0.05 0.00 0.31 0.00 0.00 61.69 62.61 2kb3 s THR 69 Cb -0.16 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2kb3 s THR 69 CO -0.07 0.41 -0.22 0.00 -0.69 0.00 0.00 174.62 174.04 2kb3 s ALA 70 N -1.27 1.94 0.00 7.40 0.00 0.76 -1.71 121.76 128.87 2kb3 s ALA 70 Ca 0.29 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2kb3 s ALA 70 Cb -0.15 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2kb3 s ALA 70 CO 0.16 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.69 2kb3 n GLY 71 N 3.05 0.22 3.88 0.00 0.00 -1.09 -2.78 105.19 108.47 2kb3 n GLY 71 Ca -0.18 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 3.73 0.00 1.61 1.81 0.12 -1.29 118.95 122.94 2kb3 s ARG 72 Ca 0.00 0.33 0.00 0.00 -1.72 0.00 0.00 55.73 54.34 2kb3 s ARG 72 Cb 0.00 -2.47 0.00 0.00 -0.45 0.00 0.00 34.95 32.03 2kb3 s ARG 72 CO 0.00 0.04 0.00 0.72 -0.68 0.00 0.00 175.30 175.38 2kb3 n HIS 73 N -1.19 0.00 0.52 -0.53 8.25 -1.26 -4.58 115.22 116.44 2kb3 n HIS 73 Ca 0.01 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 2kb3 n HIS 73 Cb 0.54 -0.81 0.26 0.00 1.12 0.00 0.00 29.99 31.10 2kb3 n HIS 73 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2kb3 n PRO 74 N 1.10 0.21 0.19 -0.41 -0.04 -1.26 -1.34 135.00 133.45 2kb3 n PRO 74 Ca 0.00 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.63 2kb3 n PRO 74 Cb 0.00 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.27 2kb3 n PRO 74 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2kb3 h GLU 75 N 0.00 0.00 -6.87 0.54 4.11 -1.98 -3.43 114.58 106.95 2kb3 h GLU 75 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 2kb3 h GLU 75 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2kb3 h GLU 75 CO 0.00 0.36 0.37 -1.12 0.07 0.00 0.00 179.01 178.69 2kb3 s SER 76 N -6.38 7.27 0.05 3.06 0.01 -0.45 -4.90 113.70 112.37 2kb3 s SER 76 Ca 0.01 1.93 -0.19 0.00 1.31 0.00 0.00 55.95 59.01 2kb3 s SER 76 Cb 0.10 -2.59 -0.13 0.00 0.21 0.00 0.00 66.02 63.61 2kb3 s SER 76 CO 0.68 -0.12 1.37 -0.78 0.41 0.00 0.00 173.24 174.80 2kb3 h ASP 77 N 3.25 0.44 -3.61 2.44 3.58 -1.61 -3.40 116.42 117.51 2kb3 h ASP 77 Ca -0.47 -0.46 -0.70 0.00 0.42 0.00 0.00 57.03 55.82 2kb3 h ASP 77 Cb 1.20 -0.12 -0.27 0.00 1.72 0.00 0.00 39.33 41.85 2kb3 h ASP 77 CO 0.65 0.81 -0.56 0.27 -2.88 0.00 0.00 179.24 177.53 2kb3 s ILE 78 N -4.38 4.11 -0.33 2.25 -4.36 -1.04 -5.03 121.20 112.42 2kb3 s ILE 78 Ca -0.14 -1.09 -0.23 0.00 -0.26 0.00 0.00 60.65 58.94 2kb3 s ILE 78 Cb 0.06 -3.35 0.00 0.00 1.25 0.00 0.00 42.46 40.42 2kb3 s ILE 78 CO 0.76 -0.25 0.75 0.12 0.24 0.00 0.00 174.94 176.56 2kb3 s PHE 79 N 1.45 3.16 -0.04 1.37 5.36 -1.26 -2.66 117.98 125.36 2kb3 s PHE 79 Ca 0.00 0.63 0.05 0.00 -0.96 0.00 0.00 56.93 56.65 2kb3 s PHE 79 Cb -0.20 -3.25 -0.02 0.00 -0.34 0.00 0.00 43.02 39.20 2kb3 s PHE 79 CO 0.04 -0.63 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.48 2kb3 s LEU 80 N 2.94 2.49 -0.31 6.12 1.43 -0.41 -4.97 118.68 125.98 2kb3 s LEU 80 Ca 0.30 -0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 52.92 2kb3 s LEU 80 Cb -0.14 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 2kb3 s LEU 80 CO 0.14 0.34 0.55 -0.62 0.23 0.00 0.00 176.35 176.99 2kb3 s ASP 81 N -0.69 6.40 0.46 2.29 2.15 -1.26 -3.92 116.67 122.11 2kb3 s ASP 81 Ca 0.11 0.27 0.08 0.00 0.43 0.00 0.00 52.55 53.43 2kb3 s ASP 81 Cb -0.10 -2.29 0.03 0.00 -0.30 0.00 0.00 42.92 40.25 2kb3 s ASP 81 CO -0.00 -0.43 0.63 -0.62 -0.17 0.00 0.00 175.17 174.58 2kb3 s ASP 82 N 1.67 5.50 0.20 -0.34 2.15 -1.26 -4.67 116.67 119.93 2kb3 s ASP 82 Ca 0.22 -0.46 0.09 0.00 0.43 0.00 0.00 52.55 52.83 2kb3 s ASP 82 Cb -0.15 -0.49 0.06 0.00 -0.30 0.00 0.00 42.92 42.03 2kb3 s ASP 82 CO 0.12 -0.92 1.43 0.58 -0.17 0.00 0.00 175.17 176.21 2kb3 h VAL 83 N 0.49 1.51 -2.19 1.11 2.07 -1.98 -3.47 116.25 113.79 2kb3 h VAL 83 Ca -0.38 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 64.36 2kb3 h VAL 83 Cb 1.28 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 2kb3 h VAL 83 CO 0.45 0.78 0.00 1.07 0.02 0.00 0.00 177.57 179.89 2kb3 n THR 84 N -3.51 0.00 -2.71 2.57 5.66 -1.26 -5.06 114.28 109.98 2kb3 n THR 84 Ca -0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 2kb3 n THR 84 Cb 0.79 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.54 2kb3 n THR 84 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2kb3 s VAL 85 N -0.58 4.09 -1.16 1.08 1.01 -1.26 -4.90 120.40 118.68 2kb3 s VAL 85 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 2kb3 s VAL 85 Cb 0.00 -4.84 0.24 0.00 0.00 0.00 0.00 36.38 31.78 2kb3 s VAL 85 CO 0.00 -1.69 1.33 -0.24 0.00 0.00 0.00 175.10 174.51 2kb3 n SER 86 N 8.37 5.52 -0.22 3.32 2.88 -1.26 -4.40 113.62 127.84 2kb3 n SER 86 Ca 0.07 -3.08 -0.02 0.00 -1.33 0.00 0.00 58.87 54.52 2kb3 n SER 86 Cb 0.48 -1.43 0.09 0.00 -0.75 0.00 0.00 64.21 62.60 2kb3 n SER 86 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2kb3 h ARG 87 N 6.55 0.61 -0.83 -1.46 -0.00 -1.82 0.35 114.38 117.79 2kb3 h ARG 87 Ca 0.24 -0.04 0.05 0.00 -0.00 0.00 0.00 59.98 60.24 2kb3 h ARG 87 Cb 0.81 -0.14 -0.20 0.00 -0.00 0.00 0.00 29.97 30.45 2kb3 h ARG 87 CO 1.18 0.41 -0.32 1.03 -0.00 0.00 0.00 179.97 182.27 2kb3 s ARG 88 N -6.10 0.52 -0.21 0.08 0.52 -1.26 -4.32 118.95 108.18 2kb3 s ARG 88 Ca -0.13 0.27 -0.18 0.00 -0.52 0.00 0.00 55.73 55.18 2kb3 s ARG 88 Cb 0.16 0.17 -0.14 0.00 0.52 0.00 0.00 34.95 35.66 2kb3 s ARG 88 CO 0.75 -0.90 -0.01 1.58 0.02 0.00 0.00 175.30 176.75 2kb3 n HIS 89 N 5.05 0.72 -4.22 -0.53 -0.00 -1.13 -3.21 115.22 111.91 2kb3 n HIS 89 Ca 0.07 0.31 -0.21 0.00 0.46 0.00 0.00 57.72 58.36 2kb3 n HIS 89 Cb 0.56 -1.00 -0.12 0.00 -0.12 0.00 0.00 29.99 29.31 2kb3 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb3 s ALA 90 N -2.48 1.45 -0.02 1.57 0.00 -1.12 -1.76 121.76 119.41 2kb3 s ALA 90 Ca -0.29 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.56 2kb3 s ALA 90 Cb 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2kb3 s ALA 90 CO 0.50 0.25 -0.02 -2.00 0.00 0.00 0.00 175.76 174.49 2kb3 s GLU 91 N -1.84 0.33 -0.26 0.00 2.12 0.28 -0.17 118.70 119.16 2kb3 s GLU 91 Ca 0.02 -0.03 -0.08 0.00 0.36 0.00 0.00 54.97 55.24 2kb3 s GLU 91 Cb -0.10 -0.41 -0.04 0.00 0.26 0.00 0.00 34.13 33.85 2kb3 s GLU 91 CO 0.03 -0.04 0.10 -0.06 -0.54 0.00 0.00 175.26 174.76 2kb3 s PHE 92 N 0.51 3.13 -0.12 5.30 0.40 0.13 -0.14 117.98 127.18 2kb3 s PHE 92 Ca -0.05 -0.25 -0.02 0.00 -0.60 0.00 0.00 56.93 56.01 2kb3 s PHE 92 Cb -0.08 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 2kb3 s PHE 92 CO -0.01 -0.29 -0.06 1.03 0.70 0.00 0.00 175.22 176.60 2kb3 s ARG 93 N 1.62 3.29 -0.34 0.44 1.81 0.78 -0.12 118.95 126.44 2kb3 s ARG 93 Ca 0.06 -0.55 -0.11 0.00 -1.72 0.00 0.00 55.73 53.42 2kb3 s ARG 93 Cb -0.15 -2.76 0.00 0.00 -0.45 0.00 0.00 34.95 31.59 2kb3 s ARG 93 CO 0.06 0.40 0.19 0.42 -0.68 0.00 0.00 175.30 175.69 2kb3 s ILE 94 N -0.09 4.71 -0.10 1.52 1.09 0.69 -0.37 121.20 128.65 2kb3 s ILE 94 Ca 0.01 -0.56 0.00 0.00 -1.10 0.00 0.00 60.65 59.01 2kb3 s ILE 94 Cb -0.13 -3.49 0.02 0.00 -1.06 0.00 0.00 42.46 37.80 2kb3 s ILE 94 CO 0.03 -0.06 -0.08 0.21 -0.10 0.00 0.00 174.94 174.93 2kb3 s ASN 95 N 1.61 2.00 -1.46 3.58 2.47 0.93 -4.67 114.94 119.39 2kb3 s ASN 95 Ca 0.04 -0.28 -0.08 0.00 0.42 0.00 0.00 52.86 52.96 2kb3 s ASN 95 Cb -0.18 -0.79 0.03 0.00 -1.45 0.00 0.00 41.25 38.86 2kb3 s ASN 95 CO 0.07 -0.09 0.75 -0.62 -3.72 0.00 0.00 177.10 173.49 2kb3 n GLU 96 N 4.68 -5.23 -0.95 0.43 -0.58 -1.26 -1.29 120.64 116.45 2kb3 n GLU 96 Ca -0.15 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 2kb3 n GLU 96 Cb 0.50 -5.62 0.00 0.00 -0.57 0.00 0.00 31.44 25.75 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kb3 n GLY 97 N -1.56 0.80 3.59 0.62 0.00 -1.26 -5.01 105.19 102.37 2kb3 n GLY 97 Ca -0.05 0.00 -0.28 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 -0.15 2.14 -0.29 1.61 2.02 -0.41 -4.74 118.70 118.88 2kb3 s GLU 98 Ca 0.00 -1.15 -0.10 0.00 0.02 0.00 0.00 54.97 53.74 2kb3 s GLU 98 Cb 0.00 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 2kb3 s GLU 98 CO 0.00 0.47 0.17 -0.06 0.02 0.00 0.00 175.26 175.85 2kb3 s PHE 99 N -1.52 3.19 -0.11 1.61 0.40 -1.26 -0.05 117.98 120.23 2kb3 s PHE 99 Ca 0.24 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 2kb3 s PHE 99 Cb -0.10 -2.37 -0.02 0.00 0.51 0.00 0.00 43.02 41.05 2kb3 s PHE 99 CO 0.15 -0.31 -0.15 -1.83 0.70 0.00 0.00 175.22 173.78 2kb3 s GLU 100 N 1.69 3.18 -0.23 0.44 -1.05 0.50 -0.30 118.70 122.93 2kb3 s GLU 100 Ca 0.06 -0.71 -0.08 0.00 -0.15 0.00 0.00 54.97 54.08 2kb3 s GLU 100 Cb -0.16 -2.54 -0.04 0.00 -0.44 0.00 0.00 34.13 30.95 2kb3 s GLU 100 CO 0.08 0.29 0.10 0.08 0.95 0.00 0.00 175.26 176.76 2kb3 s VAL 101 N 0.15 4.77 -0.11 1.83 1.01 0.45 -0.15 120.40 128.34 2kb3 s VAL 101 Ca -0.08 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2kb3 s VAL 101 Cb -0.15 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 2kb3 s VAL 101 CO 0.05 0.37 -0.21 -0.69 0.00 0.00 0.00 175.10 174.61 2kb3 s VAL 102 N 1.14 2.28 -0.13 2.92 1.01 0.80 -0.82 120.40 127.59 2kb3 s VAL 102 Ca 0.05 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 2kb3 s VAL 102 Cb -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 2kb3 s VAL 102 CO 0.04 0.55 1.21 -0.62 0.00 0.00 0.00 175.10 176.28 2kb3 s ASP 103 N 0.40 7.01 -0.03 3.32 -1.08 0.12 -0.56 116.67 125.84 2kb3 s ASP 103 Ca -0.16 1.69 0.07 0.00 -0.52 0.00 0.00 52.55 53.63 2kb3 s ASP 103 Cb -0.17 -2.55 0.15 0.00 -1.46 0.00 0.00 42.92 38.89 2kb3 s ASP 103 CO 0.07 -0.68 1.11 1.33 0.52 0.00 0.00 175.17 177.52 2kb3 n VAL 104 N 5.09 1.24 0.00 1.11 0.24 -0.72 -4.85 118.33 120.44 2kb3 n VAL 104 Ca 0.13 -1.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.14 2kb3 n VAL 104 Cb 0.46 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 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 -0.45 -1.68 3.55 7.63 0.00 -1.17 -4.86 105.19 108.20 2kb3 n GLY 105 Ca 0.07 0.89 -0.36 0.00 0.00 0.00 0.00 46.02 46.61 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 4.51 -0.06 1.61 0.01 -1.26 -4.02 113.70 114.49 2kb3 s SER 106 Ca 0.00 1.08 -0.24 0.00 1.31 0.00 0.00 55.95 58.10 2kb3 s SER 106 Cb 0.00 -2.50 -0.19 0.00 0.21 0.00 0.00 66.02 63.54 2kb3 s SER 106 CO 0.00 -2.83 0.94 0.25 0.41 0.00 0.00 173.24 172.02 2kb3 h LEU 107 N 19.31 -0.08 0.00 2.44 5.85 -1.88 -3.40 115.31 137.54 2kb3 h LEU 107 Ca -0.25 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 57.95 2kb3 h LEU 107 Cb 1.26 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2kb3 h LEU 107 CO 1.16 0.54 -0.85 -3.20 -0.34 0.00 0.00 178.44 175.75 2kb3 n ASN 108 N -4.83 4.25 0.00 1.25 5.15 -1.26 -3.19 115.26 116.62 2kb3 n ASN 108 Ca -0.08 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 2kb3 n ASN 108 Cb 0.30 0.93 0.00 0.00 -0.53 0.00 0.00 39.78 40.48 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kb3 n GLY 109 N 2.20 3.99 3.71 8.20 0.00 -1.26 -4.96 105.19 117.07 2kb3 n GLY 109 Ca 0.00 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.04 4.90 -0.20 2.61 2.01 -1.26 -4.80 115.64 118.86 2kb3 s THR 110 Ca 0.00 1.90 -0.07 0.00 0.31 0.00 0.00 61.69 63.83 2kb3 s THR 110 Cb 0.00 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 2kb3 s THR 110 CO 0.00 0.19 0.05 -0.31 -0.69 0.00 0.00 174.62 173.86 2kb3 s TYR 111 N 0.92 3.15 -0.14 4.92 2.02 -1.05 -0.39 117.35 126.78 2kb3 s TYR 111 Ca 0.48 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 57.03 2kb3 s TYR 111 Cb -0.20 -2.12 0.02 0.00 -0.40 0.00 0.00 41.96 39.25 2kb3 s TYR 111 CO 0.25 -0.07 -0.18 0.08 -1.57 0.00 0.00 175.55 174.07 2kb3 s VAL 112 N 0.84 1.78 -1.45 0.71 1.01 0.82 -0.15 120.40 123.96 2kb3 s VAL 112 Ca 0.03 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 2kb3 s VAL 112 Cb -0.14 -1.62 0.05 0.00 0.00 0.00 0.00 36.38 34.67 2kb3 s VAL 112 CO 0.02 0.50 1.05 -3.20 0.00 0.00 0.00 175.10 173.47 2kb3 n ASN 113 N 4.40 -5.63 0.00 3.32 2.85 -0.54 -1.02 115.26 118.65 2kb3 n ASN 113 Ca -0.19 -0.63 0.00 0.00 -0.11 0.00 0.00 54.58 53.65 2kb3 n ASN 113 Cb 0.51 -4.46 0.00 0.00 1.24 0.00 0.00 39.78 37.07 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 -4.79 -1.52 -4.48 1.20 3.00 -1.26 -4.98 116.66 103.83 2kb3 n ARG 114 Ca 0.02 0.38 -0.34 0.00 -0.01 0.00 0.00 57.85 57.90 2kb3 n ARG 114 Cb 0.55 -4.68 -0.11 0.00 0.00 0.00 0.00 32.46 28.21 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 -1.63 3.28 0.09 5.56 0.41 -0.18 -4.98 118.70 121.24 2kb3 s GLU 115 Ca 0.00 -0.52 -0.31 0.00 -0.41 0.00 0.00 54.97 53.74 2kb3 s GLU 115 Cb 0.00 -2.79 -0.10 0.00 -1.78 0.00 0.00 34.13 29.46 2kb3 s GLU 115 CO 0.00 0.44 1.90 -2.30 -0.49 0.00 0.00 175.26 174.81 2kb3 n PRO 116 N 2.92 2.83 -3.85 0.39 -0.02 -1.26 -0.13 135.00 135.89 2kb3 n PRO 116 Ca -0.18 1.03 -0.12 0.00 -2.02 0.00 0.00 63.50 62.22 2kb3 n PRO 116 Cb 0.53 -2.96 -0.10 0.00 -0.02 0.00 0.00 33.50 30.95 2kb3 n PRO 116 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2kb3 s ARG 117 N 3.47 0.47 0.00 -0.52 6.06 0.48 -4.90 118.95 124.02 2kb3 s ARG 117 Ca 0.85 -0.30 0.00 0.00 -2.50 0.00 0.00 55.73 53.78 2kb3 s ARG 117 Cb -0.46 0.20 0.00 0.00 0.06 0.00 0.00 34.95 34.75 2kb3 s ARG 117 CO 0.39 -0.11 0.00 -1.71 -2.50 0.00 0.00 175.30 171.37 2kb3 n ASN 118 N 1.62 0.00 -4.16 -2.12 2.85 -1.26 -4.14 115.26 108.05 2kb3 n ASN 118 Ca -0.21 0.12 -0.27 0.00 -0.11 0.00 0.00 54.58 54.10 2kb3 n ASN 118 Cb 0.56 -0.49 -0.16 0.00 1.24 0.00 0.00 39.78 40.93 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 -3.03 1.69 -0.08 5.20 0.00 -1.25 0.12 121.76 124.39 2kb3 s ALA 119 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 51.96 50.97 2kb3 s ALA 119 Cb 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 23.12 22.60 2kb3 s ALA 119 CO 0.00 0.29 0.52 -1.14 0.00 0.00 0.00 175.76 175.43 2kb3 s GLN 120 N 0.07 0.81 0.08 0.00 0.74 -0.00 -4.98 119.66 116.37 2kb3 s GLN 120 Ca -0.06 0.26 -0.30 0.00 0.05 0.00 0.00 55.36 55.31 2kb3 s GLN 120 Cb -0.13 0.38 -0.05 0.00 1.10 0.00 0.00 33.01 34.31 2kb3 s GLN 120 CO 0.03 -0.21 1.07 0.08 -0.55 0.00 0.00 175.29 175.71 2kb3 s VAL 121 N -0.80 4.33 0.22 1.34 1.01 -1.26 -0.41 120.40 124.83 2kb3 s VAL 121 Ca -0.09 1.78 -0.11 0.00 0.00 0.00 0.00 61.98 63.56 2kb3 s VAL 121 Cb -0.03 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 2kb3 s VAL 121 CO 0.05 0.20 0.57 -0.32 0.00 0.00 0.00 175.10 175.60 2kb3 s MET 122 N 0.54 3.87 0.22 2.72 1.75 0.59 -4.91 119.30 124.07 2kb3 s MET 122 Ca 0.53 0.37 0.11 0.00 -1.25 0.00 0.00 55.69 55.44 2kb3 s MET 122 Cb -0.26 -2.69 -0.05 0.00 2.84 0.00 0.00 34.83 34.68 2kb3 s MET 122 CO 0.30 0.34 -0.18 -0.65 -0.65 0.00 0.00 175.02 174.18 2kb3 s GLN 123 N -2.63 1.75 -0.01 4.11 -0.21 -1.26 -4.76 119.66 116.64 2kb3 s GLN 123 Ca 0.46 -1.53 -0.30 0.00 0.02 0.00 0.00 55.36 54.01 2kb3 s GLN 123 Cb -0.12 -1.92 -0.03 0.00 1.00 0.00 0.00 33.01 31.94 2kb3 s GLN 123 CO 0.20 0.38 1.00 -0.08 -2.12 0.00 0.00 175.29 174.68 2kb3 s THR 124 N -1.97 4.80 0.00 -0.19 -1.32 -1.26 -3.06 115.64 112.64 2kb3 s THR 124 Ca 0.25 2.01 0.00 0.00 -1.21 0.00 0.00 61.69 62.74 2kb3 s THR 124 Cb -0.07 -4.29 0.00 0.00 -1.51 0.00 0.00 72.50 66.63 2kb3 s THR 124 CO 0.13 0.14 0.00 0.61 -2.21 0.00 0.00 174.62 173.29 2kb3 n GLY 125 N 2.95 0.42 3.88 6.08 0.00 0.21 -4.45 105.19 114.29 2kb3 n GLY 125 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.75 6.55 -0.10 1.61 -1.08 -1.17 -3.88 116.67 115.85 2kb3 s ASP 126 Ca 0.00 0.98 0.02 0.00 -0.52 0.00 0.00 52.55 53.03 2kb3 s ASP 126 Cb 0.00 -2.25 -0.01 0.00 -1.46 0.00 0.00 42.92 39.19 2kb3 s ASP 126 CO 0.00 -0.25 -0.17 -1.61 0.52 0.00 0.00 175.17 173.66 2kb3 s GLU 127 N -3.45 3.08 -0.17 4.34 2.02 -1.26 -1.39 118.70 121.87 2kb3 s GLU 127 Ca 0.48 -0.75 -0.03 0.00 0.02 0.00 0.00 54.97 54.69 2kb3 s GLU 127 Cb -0.11 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 2kb3 s GLU 127 CO 0.27 0.29 -0.06 0.42 0.02 0.00 0.00 175.26 176.20 2kb3 s ILE 128 N 0.12 3.52 -0.31 -1.63 1.01 0.17 -1.46 121.20 122.63 2kb3 s ILE 128 Ca -0.08 -0.47 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 2kb3 s ILE 128 Cb -0.15 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.77 2kb3 s ILE 128 CO 0.05 0.47 0.12 -1.58 0.00 0.00 0.00 174.94 174.00 2kb3 s GLN 129 N 0.77 3.19 -0.12 2.79 0.74 0.79 -0.26 119.66 127.55 2kb3 s GLN 129 Ca -0.02 -0.81 -0.01 0.00 0.05 0.00 0.00 55.36 54.57 2kb3 s GLN 129 Cb -0.15 -3.47 -0.03 0.00 1.10 0.00 0.00 33.01 30.47 2kb3 s GLN 129 CO 0.02 -0.44 -0.07 0.42 -0.55 0.00 0.00 175.29 174.67 2kb3 s ILE 130 N 1.55 3.65 0.00 -2.34 -1.09 0.62 -2.52 121.20 121.07 2kb3 s ILE 130 Ca 0.03 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 2kb3 s ILE 130 Cb -0.17 -2.55 0.00 0.00 -1.58 0.00 0.00 42.46 38.16 2kb3 s ILE 130 CO 0.04 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 2kb3 n GLY 131 N 3.04 0.80 0.00 6.18 0.00 -1.26 -0.92 105.19 113.03 2kb3 n GLY 131 Ca -0.18 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 -4.17 1.61 2.85 -1.26 -4.87 118.16 112.31 2kb3 n LYS 132 Ca 0.00 -0.45 -0.16 0.00 -1.05 0.00 0.00 58.31 56.64 2kb3 n LYS 132 Cb 0.00 -0.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.77 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 0.00 1.15 0.04 5.58 -0.71 -0.10 -4.83 117.98 119.11 2kb3 s PHE 133 Ca 0.00 -0.54 0.05 0.00 -1.04 0.00 0.00 56.93 55.40 2kb3 s PHE 133 Cb 0.00 -0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 41.14 2kb3 s PHE 133 CO 0.00 0.04 -0.11 -0.98 -1.34 0.00 0.00 175.22 172.84 2kb3 s ARG 134 N -2.23 2.31 -0.02 1.99 3.03 -1.24 -0.28 118.95 122.51 2kb3 s ARG 134 Ca 0.02 -0.88 0.05 0.00 2.03 0.00 0.00 55.73 56.94 2kb3 s ARG 134 Cb -0.07 -2.36 -0.03 0.00 -1.03 0.00 0.00 34.95 31.46 2kb3 s ARG 134 CO 0.02 0.56 -0.15 -0.51 -1.13 0.00 0.00 175.30 174.08 2kb3 s LEU 135 N -1.66 2.72 -0.22 -1.89 1.02 0.64 -1.18 118.68 118.11 2kb3 s LEU 135 Ca 0.18 -0.26 -0.05 0.00 0.02 0.00 0.00 54.13 54.02 2kb3 s LEU 135 Cb -0.11 -1.57 -0.02 0.00 0.02 0.00 0.00 46.19 44.52 2kb3 s LEU 135 CO 0.09 0.31 -0.00 -0.69 0.02 0.00 0.00 176.35 176.08 2kb3 s VAL 136 N -0.81 3.79 -0.33 -1.59 1.01 0.10 -0.66 120.40 121.92 2kb3 s VAL 136 Ca 0.13 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 2kb3 s VAL 136 Cb -0.11 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2kb3 s VAL 136 CO 0.02 0.40 0.58 0.12 0.00 0.00 0.00 175.10 176.23 2kb3 s PHE 137 N 1.35 3.19 0.08 5.22 2.19 -0.48 -0.34 117.98 129.18 2kb3 s PHE 137 Ca 0.04 0.41 0.07 0.00 0.33 0.00 0.00 56.93 57.78 2kb3 s PHE 137 Cb -0.15 -2.98 -0.04 0.00 -1.31 0.00 0.00 43.02 38.54 2kb3 s PHE 137 CO 0.00 -0.51 -0.13 -0.51 1.83 0.00 0.00 175.22 175.90 2kb3 s LEU 138 N 2.54 2.91 0.33 6.12 2.01 0.81 0.66 118.68 134.05 2kb3 s LEU 138 Ca 0.23 -0.38 -0.27 0.00 0.01 0.00 0.00 54.13 53.71 2kb3 s LEU 138 Cb -0.15 -1.72 -0.09 0.00 0.01 0.00 0.00 46.19 44.24 2kb3 s LEU 138 CO 0.13 0.21 1.07 0.00 1.01 0.00 0.00 176.35 178.77 2kb3 s ALA 139 N -1.10 3.27 0.31 4.21 0.00 -1.26 -0.86 121.76 126.32 2kb3 s ALA 139 Ca 0.19 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 2kb3 s ALA 139 Cb -0.11 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 2kb3 s ALA 139 CO 0.10 -0.16 1.54 0.20 0.00 0.00 0.00 175.76 177.44 2kb3 s GLY 140 N -1.17 2.38 0.89 0.00 0.00 -0.41 -4.69 107.32 104.32 2kb3 s GLY 140 Ca 0.50 1.53 -0.11 0.00 0.00 0.00 0.00 44.72 46.64 2kb3 s GLY 140 CO 0.35 2.42 1.10 2.56 0.00 0.00 0.00 173.10 179.54 2kb3 s PRO 141 N -0.94 1.27 0.00 2.90 0.04 -1.26 -4.13 135.00 132.87 2kb3 s PRO 141 Ca 0.60 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2kb3 s PRO 141 Cb -0.46 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.14 2kb3 s PRO 141 CO 0.51 -2.32 2.78 0.00 0.04 0.00 0.00 177.00 178.01 2kb3 n ALA 142 N -3.98 5.12 1.95 8.56 0.00 -1.26 -4.66 120.51 126.23 2kb3 n ALA 142 Ca 0.09 -1.02 0.16 0.00 0.00 0.00 0.00 53.44 52.66 2kb3 n ALA 142 Cb 0.53 -1.82 0.91 0.00 0.00 0.00 0.00 19.45 19.07 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59