#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 -4.86 7.83 2.88 -1.26 -5.12 113.62 113.08 2kb3 n SER 2 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2kb3 n SER 2 Cb 0.00 0.10 0.06 0.00 -0.75 0.00 0.00 64.21 63.62 2kb3 n SER 2 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2kb3 s ASP 3 N -2.58 5.09 -0.27 -3.46 -4.77 -1.26 -4.96 116.67 104.46 2kb3 s ASP 3 Ca 0.00 1.13 -0.29 0.00 -3.30 0.00 0.00 52.55 50.09 2kb3 s ASP 3 Cb 0.00 -1.88 -0.01 0.00 -1.09 0.00 0.00 42.92 39.94 2kb3 s ASP 3 CO 0.00 -1.57 1.49 0.20 0.70 0.00 0.00 175.17 175.99 2kb3 s ASN 4 N -4.27 6.47 -0.66 2.11 0.01 -1.26 -4.92 114.94 112.42 2kb3 s ASN 4 Ca 0.59 1.40 -0.27 0.00 -0.71 0.00 0.00 52.86 53.88 2kb3 s ASN 4 Cb -0.12 -2.54 -0.00 0.00 0.41 0.00 0.00 41.25 39.01 2kb3 s ASN 4 CO 0.52 -1.22 1.63 0.20 -1.51 0.00 0.00 177.10 176.72 2kb3 s ASN 5 N 3.74 5.63 0.00 -1.22 0.02 -1.26 -4.62 114.94 117.23 2kb3 s ASN 5 Ca 0.65 0.03 0.00 0.00 -1.02 0.00 0.00 52.86 52.53 2kb3 s ASN 5 Cb -0.21 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.52 2kb3 s ASN 5 CO 0.27 -2.16 0.00 0.61 0.02 0.00 0.00 177.10 175.84 2kb3 n GLY 6 N 5.57 0.05 3.00 0.66 0.00 -1.26 -5.06 105.19 108.15 2kb3 n GLY 6 Ca 0.14 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 2kb3 n GLY 6 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb3 s THR 7 N -3.94 1.87 0.13 2.61 -1.32 -1.26 -5.08 115.64 108.65 2kb3 s THR 7 Ca 0.00 -1.54 -0.31 0.00 -1.21 0.00 0.00 61.69 58.64 2kb3 s THR 7 Cb 0.00 -2.10 -0.08 0.00 -1.51 0.00 0.00 72.50 68.81 2kb3 s THR 7 CO 0.00 -0.14 1.32 -2.84 -2.21 0.00 0.00 174.62 170.75 2kb3 s PRO 8 N 1.22 4.37 -0.15 7.08 0.02 -1.26 -4.98 135.00 141.29 2kb3 s PRO 8 Ca -0.05 2.00 -0.29 0.00 0.02 0.00 0.00 61.00 62.68 2kb3 s PRO 8 Cb -0.19 -3.25 -0.00 0.00 0.02 0.00 0.00 34.50 31.07 2kb3 s PRO 8 CO -0.06 -0.34 1.04 -1.21 -0.33 0.00 0.00 177.00 176.10 2kb3 s GLU 9 N 0.71 4.35 0.23 5.54 0.41 -1.26 -5.00 118.70 123.68 2kb3 s GLU 9 Ca 0.61 1.41 -0.30 0.00 -0.41 0.00 0.00 54.97 56.28 2kb3 s GLU 9 Cb -0.35 -3.59 -0.09 0.00 -1.78 0.00 0.00 34.13 28.31 2kb3 s GLU 9 CO 0.32 -0.46 1.34 -1.25 -0.49 0.00 0.00 175.26 174.73 2kb3 s PRO 10 N 2.54 4.35 -0.03 0.39 0.04 -1.26 -5.02 135.00 136.01 2kb3 s PRO 10 Ca 0.47 2.14 0.05 0.00 0.04 0.00 0.00 61.00 63.71 2kb3 s PRO 10 Cb -0.18 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 2kb3 s PRO 10 CO 0.14 -0.28 -0.18 -0.65 0.04 0.00 0.00 177.00 176.06 2kb3 s GLN 11 N -0.42 1.66 -0.22 4.56 -1.52 -1.26 -5.11 119.66 117.35 2kb3 s GLN 11 Ca 0.56 -0.64 -0.05 0.00 -1.95 0.00 0.00 55.36 53.28 2kb3 s GLN 11 Cb -0.38 -1.52 -0.02 0.00 -0.22 0.00 0.00 33.01 30.87 2kb3 s GLN 11 CO 0.41 0.33 -0.02 0.08 -0.25 0.00 0.00 175.29 175.85 2kb3 s VAL 12 N -0.21 3.68 0.11 1.09 1.01 -1.26 -5.05 120.40 119.77 2kb3 s VAL 12 Ca 0.02 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 2kb3 s VAL 12 Cb -0.09 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.68 2kb3 s VAL 12 CO 0.01 0.41 0.58 -0.70 0.00 0.00 0.00 175.10 175.40 2kb3 s GLU 13 N 1.33 1.20 0.51 2.72 2.56 -1.26 -5.07 118.70 120.69 2kb3 s GLU 13 Ca 0.04 -0.36 0.08 0.00 0.00 0.00 0.00 54.97 54.73 2kb3 s GLU 13 Cb -0.14 0.55 0.04 0.00 2.00 0.00 0.00 34.13 36.58 2kb3 s GLU 13 CO -0.00 -0.49 0.56 0.99 -0.56 0.00 0.00 175.26 175.75 2kb3 s THR 14 N -3.23 2.22 -0.12 -1.70 2.01 -1.26 -5.00 115.64 108.55 2kb3 s THR 14 Ca -0.01 -1.22 -0.09 0.00 0.31 0.00 0.00 61.69 60.68 2kb3 s THR 14 Cb -0.01 -2.44 0.04 0.00 0.01 0.00 0.00 72.50 70.10 2kb3 s THR 14 CO -0.08 0.00 0.31 -0.55 -0.69 0.00 0.00 174.62 173.60 2kb3 s SER 16 N -4.39 -0.34 -0.11 3.53 0.15 -1.26 -4.50 113.70 106.78 2kb3 s SER 16 Ca 0.50 0.64 -0.27 0.00 0.70 0.00 0.00 55.95 57.52 2kb3 s SER 16 Cb -0.05 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.83 2kb3 s SER 16 CO 0.30 -0.14 0.88 -0.69 1.20 0.00 0.00 173.24 174.80 2kb3 s VAL 17 N 0.68 4.88 0.05 4.45 1.01 -1.26 -4.81 120.40 125.39 2kb3 s VAL 17 Ca -0.04 1.78 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 2kb3 s VAL 17 Cb -0.05 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2kb3 s VAL 17 CO -0.04 0.08 0.91 -0.36 0.00 0.00 0.00 175.10 175.69 2kb3 s PHE 18 N 1.69 3.73 -0.53 5.22 0.40 -0.55 -4.97 117.98 122.96 2kb3 s PHE 18 Ca 0.43 1.66 0.03 0.00 -0.60 0.00 0.00 56.93 58.45 2kb3 s PHE 18 Cb -0.18 -3.01 0.13 0.00 0.51 0.00 0.00 43.02 40.47 2kb3 s PHE 18 CO 0.17 0.14 0.28 1.03 0.70 0.00 0.00 175.22 177.55 2kb3 s ARG 19 N 0.38 2.07 0.27 0.44 0.52 -1.26 -4.89 118.95 116.47 2kb3 s ARG 19 Ca 0.46 -2.58 0.10 0.00 -0.52 0.00 0.00 55.73 53.19 2kb3 s ARG 19 Cb -0.22 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.82 2kb3 s ARG 19 CO 0.27 -1.11 -0.01 0.00 0.02 0.00 0.00 175.30 174.47 2kb3 s ALA 20 N -0.20 3.15 -1.51 2.13 0.00 -1.26 -5.01 121.76 119.06 2kb3 s ALA 20 Ca 0.17 -1.66 0.23 0.00 0.00 0.00 0.00 51.96 50.70 2kb3 s ALA 20 Cb -0.25 -0.76 0.20 0.00 0.00 0.00 0.00 23.12 22.31 2kb3 s ALA 20 CO -0.01 0.26 1.20 -3.47 0.00 0.00 0.00 175.76 173.75 2kb3 n ASP 21 N -0.89 1.25 0.23 0.00 2.03 -1.26 -4.38 116.55 113.53 2kb3 n ASP 21 Ca -0.06 -1.01 0.14 0.00 0.52 0.00 0.00 54.79 54.37 2kb3 n ASP 21 Cb 0.59 0.50 0.73 0.00 -0.72 0.00 0.00 41.12 42.22 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2kb3 h LEU 22 N 1.07 0.00 -1.61 -2.67 8.10 -1.96 0.77 115.31 119.00 2kb3 h LEU 22 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 2kb3 h LEU 22 Cb 0.59 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.80 2kb3 h LEU 22 CO 0.00 0.00 -0.21 0.17 -4.11 0.00 0.00 178.44 174.29 2kb3 h LEU 23 N 0.00 0.00 -0.12 0.17 8.10 -1.98 0.75 115.31 122.23 2kb3 h LEU 23 Ca 0.00 0.00 -0.23 0.00 0.11 0.00 0.00 57.88 57.76 2kb3 h LEU 23 Cb 0.23 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.46 2kb3 h LEU 23 CO 0.00 0.21 -0.84 0.50 -4.11 0.00 0.00 178.44 174.20 2kb3 h LYS 24 N 0.00 0.78 -0.33 0.17 3.64 -1.18 -1.70 116.57 117.95 2kb3 h LYS 24 Ca -0.00 -0.68 -0.09 0.00 -1.27 0.00 0.00 60.65 58.61 2kb3 h LYS 24 Cb 0.47 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2kb3 h LYS 24 CO 0.03 1.28 -0.17 1.49 -2.27 0.00 0.00 179.45 179.80 2kb3 h GLU 25 N 0.52 0.60 -0.70 1.90 4.81 -1.47 0.59 114.58 120.82 2kb3 h GLU 25 Ca -0.07 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 2kb3 h GLU 25 Cb 1.47 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.77 2kb3 h GLU 25 CO 0.17 0.74 0.39 1.98 -0.73 0.00 0.00 179.01 181.57 2kb3 h MET 26 N 0.54 0.97 -0.24 1.92 4.05 -0.73 -1.42 114.93 120.04 2kb3 h MET 26 Ca 0.09 -0.11 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 2kb3 h MET 26 Cb 0.60 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2kb3 h MET 26 CO 0.04 0.72 -0.26 1.49 0.23 0.00 0.00 176.91 179.13 2kb3 h GLU 27 N 0.96 0.45 0.00 0.39 4.81 -0.67 -1.54 114.58 118.98 2kb3 h GLU 27 Ca 0.25 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2kb3 h GLU 27 Cb 0.02 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kb3 h GLU 27 CO -0.04 0.68 0.00 0.77 -0.73 0.00 0.00 179.01 179.69 2kb3 h SER 28 N 0.40 0.00 1.10 1.04 0.02 -0.33 -1.73 113.55 114.05 2kb3 h SER 28 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2kb3 h SER 28 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2kb3 h SER 28 CO 0.05 0.00 -0.57 -1.28 -1.14 0.00 0.00 176.83 173.89 2kb3 h SER 29 N 0.00 0.00 -2.29 3.07 0.87 -0.27 -3.46 113.55 111.47 2kb3 h SER 29 Ca 0.00 -0.11 -0.54 0.00 -1.23 0.00 0.00 61.79 59.90 2kb3 h SER 29 Cb 0.45 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2kb3 h SER 29 CO 0.00 0.06 1.25 0.41 -0.53 0.00 0.00 176.83 178.02 2kb3 n THR 30 N -2.38 0.72 0.00 2.23 -1.04 -0.65 -4.41 114.28 108.75 2kb3 n THR 30 Ca 0.03 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2kb3 n THR 30 Cb 0.48 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.68 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 4.66 -2.21 3.46 3.41 0.00 -1.26 -5.05 105.19 108.20 2kb3 n GLY 31 Ca 0.21 0.70 -0.30 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.16 2.74 -0.18 2.61 -1.32 -1.26 -5.11 115.64 112.96 2kb3 s THR 32 Ca 0.00 -1.44 0.01 0.00 -1.21 0.00 0.00 61.69 59.05 2kb3 s THR 32 Cb 0.00 -2.22 0.04 0.00 -1.51 0.00 0.00 72.50 68.81 2kb3 s THR 32 CO 0.00 0.18 -0.11 0.00 -2.21 0.00 0.00 174.62 172.48 2kb3 s ALA 33 N -1.06 1.89 0.38 11.08 0.00 -1.26 -5.11 121.76 127.68 2kb3 s ALA 33 Ca 0.16 -1.05 -0.28 0.00 0.00 0.00 0.00 51.96 50.80 2kb3 s ALA 33 Cb -0.10 -1.18 -0.10 0.00 0.00 0.00 0.00 23.12 21.73 2kb3 s ALA 33 CO 0.08 -0.66 1.42 -2.14 0.00 0.00 0.00 175.76 174.46 2kb3 s PRO 34 N 1.46 4.09 -0.06 0.00 0.02 -1.26 -5.01 135.00 134.24 2kb3 s PRO 34 Ca 0.01 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2kb3 s PRO 34 Cb -0.15 -2.93 0.02 0.00 0.02 0.00 0.00 34.50 31.47 2kb3 s PRO 34 CO -0.09 -0.49 -0.03 0.00 -0.33 0.00 0.00 177.00 176.06 2kb3 s ALA 35 N -1.15 0.73 0.07 -1.55 0.00 -1.26 -4.71 121.76 113.89 2kb3 s ALA 35 Ca 0.53 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.43 2kb3 s ALA 35 Cb -0.44 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 2kb3 s ALA 35 CO 0.59 -0.17 -0.13 -1.12 0.00 0.00 0.00 175.76 174.93 2kb3 s SER 36 N 1.27 1.55 0.12 0.00 0.01 -1.09 -4.96 113.70 110.60 2kb3 s SER 36 Ca -0.05 -0.60 0.07 0.00 1.31 0.00 0.00 55.95 56.68 2kb3 s SER 36 Cb -0.14 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 2kb3 s SER 36 CO -0.02 -0.09 -0.17 0.42 0.41 0.00 0.00 173.24 173.79 2kb3 s THR 37 N -1.28 1.55 0.00 1.44 -4.23 -1.26 -4.36 115.64 107.50 2kb3 s THR 37 Ca -0.03 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 2kb3 s THR 37 Cb -0.10 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.16 2kb3 s THR 37 CO 0.02 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 2kb3 n GLY 38 N 0.69 1.87 0.14 3.99 0.00 -1.26 -4.99 105.19 105.64 2kb3 n GLY 38 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 0.60 -0.00 4.61 0.00 -1.94 -2.97 119.26 119.56 2kb3 h ALA 39 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 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 0.87 -0.03 -0.85 0.00 0.00 0.00 179.25 179.24 2kb3 n GLU 40 N -3.71 0.89 0.10 0.00 0.00 -1.26 -2.81 120.64 113.84 2kb3 n GLU 40 Ca -0.03 -0.18 -0.15 0.00 0.00 0.00 0.00 57.16 56.80 2kb3 n GLU 40 Cb 0.76 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.58 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 0.43 0.39 -5.34 -1.84 4.21 -1.93 -3.49 115.58 108.01 2kb3 h ASN 41 Ca 0.00 -0.40 0.00 0.00 1.21 0.00 0.00 56.30 57.11 2kb3 h ASN 41 Cb 0.21 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 2kb3 h ASN 41 CO 0.00 1.30 -1.03 0.18 -1.29 0.00 0.00 177.43 176.58 2kb3 n LEU 42 N -3.54 -7.16 0.15 1.61 4.77 -1.12 -4.95 117.00 106.75 2kb3 n LEU 42 Ca -0.07 1.35 -0.11 0.00 -0.03 0.00 0.00 56.01 57.15 2kb3 n LEU 42 Cb 0.99 -3.06 -0.06 0.00 -2.33 0.00 0.00 43.42 38.96 2kb3 n LEU 42 CO 0.53 -3.03 0.51 1.55 -1.33 0.00 0.00 177.39 175.63 2kb3 h PRO 43 N 3.27 -0.56 0.00 3.23 0.13 -1.84 -3.34 132.00 132.89 2kb3 h PRO 43 Ca -0.05 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2kb3 h PRO 43 Cb 0.26 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.52 2kb3 h PRO 43 CO 0.08 -0.37 -0.06 0.00 -0.23 0.00 0.00 178.00 177.41 2kb3 n ALA 44 N -2.64 2.00 -1.05 -0.56 0.00 -1.14 -4.87 120.51 112.26 2kb3 n ALA 44 Ca -0.07 -1.63 -0.02 0.00 0.00 0.00 0.00 53.44 51.72 2kb3 n ALA 44 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.78 0.52 3.21 0.00 0.00 -1.26 -5.02 105.19 101.87 2kb3 n GLY 45 Ca 0.07 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 2kb3 n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kb3 s SER 46 N -2.81 0.60 0.08 1.61 0.15 -1.26 -4.94 113.70 107.13 2kb3 s SER 46 Ca 0.00 -1.27 -0.14 0.00 0.70 0.00 0.00 55.95 55.24 2kb3 s SER 46 Cb 0.00 0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 2kb3 s SER 46 CO 0.00 -0.72 0.32 0.00 1.20 0.00 0.00 173.24 174.04 2kb3 s ALA 47 N -3.95 -0.70 0.11 5.45 0.00 -1.25 -1.63 121.76 119.78 2kb3 s ALA 47 Ca 0.30 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.17 2kb3 s ALA 47 Cb 0.07 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 2kb3 s ALA 47 CO 0.07 -0.51 -0.07 -0.48 0.00 0.00 0.00 175.76 174.76 2kb3 s LEU 48 N -2.47 2.51 -0.04 0.00 0.05 -0.25 -0.32 118.68 118.16 2kb3 s LEU 48 Ca -0.00 -1.01 0.04 0.00 0.05 0.00 0.00 54.13 53.21 2kb3 s LEU 48 Cb 0.01 -0.12 -0.00 0.00 -2.05 0.00 0.00 46.19 44.04 2kb3 s LEU 48 CO -0.08 -0.44 -0.15 -1.48 -0.55 0.00 0.00 176.35 173.64 2kb3 s LEU 49 N -3.06 1.87 -0.10 1.48 2.34 0.47 -0.15 118.68 121.54 2kb3 s LEU 49 Ca 0.13 -0.32 -0.01 0.00 0.06 0.00 0.00 54.13 53.98 2kb3 s LEU 49 Cb 0.05 -0.89 -0.03 0.00 -0.56 0.00 0.00 46.19 44.76 2kb3 s LEU 49 CO -0.04 0.13 -0.05 0.54 -1.06 0.00 0.00 176.35 175.87 2kb3 s VAL 50 N 0.12 3.85 -0.30 1.48 0.11 0.18 -0.59 120.40 125.24 2kb3 s VAL 50 Ca -0.05 -0.41 -0.28 0.00 -2.93 0.00 0.00 61.98 58.31 2kb3 s VAL 50 Cb -0.11 -2.62 0.01 0.00 -1.53 0.00 0.00 36.38 32.13 2kb3 s VAL 50 CO 0.02 0.57 1.04 -0.69 -3.33 0.00 0.00 175.10 172.71 2kb3 s VAL 51 N -0.45 4.58 -0.07 2.04 1.01 0.06 -0.27 120.40 127.30 2kb3 s VAL 51 Ca 0.07 1.77 0.09 0.00 0.00 0.00 0.00 61.98 63.90 2kb3 s VAL 51 Cb -0.12 -4.37 -0.24 0.00 0.00 0.00 0.00 36.38 31.66 2kb3 s VAL 51 CO 0.02 -0.38 0.58 1.17 0.00 0.00 0.00 175.10 176.49 2kb3 n LYS 52 N 6.67 0.66 -3.73 2.72 3.00 -0.28 -0.46 118.16 126.74 2kb3 n LYS 52 Ca 0.11 0.28 -0.13 0.00 -0.00 0.00 0.00 58.31 58.57 2kb3 n LYS 52 Cb 0.47 -1.77 -0.10 0.00 0.00 0.00 0.00 35.03 33.64 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2kb3 s ARG 53 N -2.59 0.54 0.00 1.64 3.52 -1.13 -4.70 118.95 116.24 2kb3 s ARG 53 Ca -0.09 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.93 2kb3 s ARG 53 Cb 0.08 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 2kb3 s ARG 53 CO 0.81 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 175.62 2kb3 n GLY 54 N 2.47 0.08 0.05 8.12 0.00 -1.26 -2.10 105.19 112.55 2kb3 n GLY 54 Ca -0.15 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 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 4.97 -0.01 -0.87 1.61 0.11 -2.00 -3.05 132.00 132.76 2kb3 h PRO 55 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 2kb3 h PRO 55 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 2kb3 h PRO 55 CO 0.00 0.32 0.16 0.27 -0.21 0.00 0.00 178.00 178.53 2kb3 n ASN 56 N -4.94 3.53 -4.65 -2.05 0.23 -1.26 -4.98 115.26 101.13 2kb3 n ASN 56 Ca -0.08 -2.67 -0.47 0.00 -0.53 0.00 0.00 54.58 50.83 2kb3 n ASN 56 Cb 0.18 -0.64 -0.04 0.00 -2.08 0.00 0.00 39.78 37.20 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kb3 n ALA 57 N 0.02 0.74 0.00 -2.53 0.00 -1.15 -1.89 120.51 115.70 2kb3 n ALA 57 Ca 0.23 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.12 2kb3 n ALA 57 Cb 0.94 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 2.78 2.43 3.85 0.00 0.00 0.39 -4.98 105.19 109.66 2kb3 n GLY 58 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.55 3.58 -0.06 4.61 0.00 -0.79 -4.86 121.76 121.69 2kb3 s ALA 59 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.83 2kb3 s ALA 59 Cb 0.00 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 2kb3 s ALA 59 CO 0.00 0.48 -0.25 -0.98 0.00 0.00 0.00 175.76 175.01 2kb3 s ARG 60 N -2.23 2.52 -0.01 0.00 1.70 -1.26 -0.76 118.95 118.90 2kb3 s ARG 60 Ca 0.41 -0.89 0.07 0.00 -0.47 0.00 0.00 55.73 54.84 2kb3 s ARG 60 Cb -0.14 -2.14 -0.02 0.00 -0.57 0.00 0.00 34.95 32.08 2kb3 s ARG 60 CO 0.20 0.38 -0.22 -0.06 -1.08 0.00 0.00 175.30 174.51 2kb3 s PHE 61 N -0.15 2.45 -0.05 5.89 0.08 0.24 -4.95 117.98 121.48 2kb3 s PHE 61 Ca -0.04 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.68 2kb3 s PHE 61 Cb -0.14 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 2kb3 s PHE 61 CO 0.04 0.07 -0.07 -0.48 -0.10 0.00 0.00 175.22 174.67 2kb3 s LEU 62 N -0.79 3.15 -0.54 -0.37 2.34 -1.26 -0.39 118.68 120.81 2kb3 s LEU 62 Ca 0.11 -0.06 -0.21 0.00 0.06 0.00 0.00 54.13 54.03 2kb3 s LEU 62 Cb -0.10 -1.71 0.06 0.00 -0.56 0.00 0.00 46.19 43.87 2kb3 s LEU 62 CO 0.00 0.34 0.77 -0.76 -1.06 0.00 0.00 176.35 175.64 2kb3 s LEU 63 N -0.95 4.67 0.00 1.48 1.02 0.57 -4.80 118.68 120.67 2kb3 s LEU 63 Ca 0.13 -0.78 0.09 0.00 0.02 0.00 0.00 54.13 53.59 2kb3 s LEU 63 Cb -0.11 -2.55 -0.01 0.00 0.02 0.00 0.00 46.19 43.54 2kb3 s LEU 63 CO 0.03 -1.07 0.59 -0.67 0.02 0.00 0.00 176.35 175.24 2kb3 n ASP 64 N 6.75 1.11 -4.69 2.29 2.03 -1.26 -3.91 116.55 118.86 2kb3 n ASP 64 Ca -0.04 -1.06 -0.29 0.00 0.52 0.00 0.00 54.79 53.93 2kb3 n ASP 64 Cb 0.46 0.49 -0.08 0.00 -0.72 0.00 0.00 41.12 41.27 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 -1.28 2.55 0.49 -0.67 0.00 -1.26 -5.01 119.66 114.48 2kb3 s GLN 65 Ca 0.07 -0.91 0.33 0.00 -0.00 0.00 0.00 55.36 54.85 2kb3 s GLN 65 Cb 0.07 -2.50 1.61 0.00 0.00 0.00 0.00 33.01 32.19 2kb3 s GLN 65 CO 0.23 0.51 2.00 -1.35 0.00 0.00 0.00 175.29 176.68 2kb3 h PRO 66 N 3.12 0.00 -3.08 9.60 0.11 -1.94 -3.41 132.00 136.40 2kb3 h PRO 66 Ca -0.47 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.37 2kb3 h PRO 66 Cb 1.18 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.95 2kb3 h PRO 66 CO 0.60 0.00 -0.60 0.99 -0.21 0.00 0.00 178.00 178.77 2kb3 s THR 67 N -3.74 -0.23 -0.21 -1.15 2.01 -1.26 -0.32 115.64 110.73 2kb3 s THR 67 Ca -0.01 0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.31 2kb3 s THR 67 Cb 0.10 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.34 2kb3 s THR 67 CO 0.41 0.13 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.45 2kb3 s THR 68 N 2.05 1.90 -0.07 -0.82 2.01 0.68 -4.97 115.64 116.42 2kb3 s THR 68 Ca -0.00 -1.19 -0.13 0.00 0.31 0.00 0.00 61.69 60.68 2kb3 s THR 68 Cb -0.12 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 2kb3 s THR 68 CO -0.06 0.19 0.32 -0.89 -0.69 0.00 0.00 174.62 173.49 2kb3 s THR 69 N 1.28 5.22 -0.05 -0.82 2.01 -1.26 0.09 115.64 122.10 2kb3 s THR 69 Ca -0.02 0.62 0.06 0.00 0.31 0.00 0.00 61.69 62.66 2kb3 s THR 69 Cb -0.17 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 2kb3 s THR 69 CO -0.08 0.53 -0.23 0.00 -0.69 0.00 0.00 174.62 174.15 2kb3 s ALA 70 N -0.61 2.00 0.00 7.40 0.00 0.54 -1.66 121.76 129.43 2kb3 s ALA 70 Ca 0.20 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2kb3 s ALA 70 Cb -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2kb3 s ALA 70 CO 0.09 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.64 2kb3 n GLY 71 N 3.00 0.84 3.60 0.00 0.00 -0.92 -2.68 105.19 109.01 2kb3 n GLY 71 Ca -0.18 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 2kb3 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb3 s ARG 72 N -1.40 3.94 -0.28 1.61 3.00 0.14 -4.10 118.95 121.84 2kb3 s ARG 72 Ca 0.00 0.09 -0.25 0.00 -1.00 0.00 0.00 55.73 54.57 2kb3 s ARG 72 Cb 0.00 -3.69 0.11 0.00 0.00 0.00 0.00 34.95 31.37 2kb3 s ARG 72 CO 0.00 -0.39 0.97 -1.58 0.00 0.00 0.00 175.30 174.30 2kb3 s HIS 73 N 2.23 -0.54 0.49 5.12 2.46 -1.26 -3.84 115.29 119.94 2kb3 s HIS 73 Ca 0.18 1.31 0.16 0.00 0.47 0.00 0.00 55.06 57.18 2kb3 s HIS 73 Cb -0.16 0.35 1.17 0.00 -0.13 0.00 0.00 32.58 33.82 2kb3 s HIS 73 CO 0.10 -0.26 2.08 -1.00 -2.47 0.00 0.00 174.74 173.19 2kb3 h PRO 74 N 4.43 0.00 -0.45 2.88 0.13 -1.95 -2.45 132.00 134.59 2kb3 h PRO 74 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2kb3 h PRO 74 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kb3 h PRO 74 CO 0.10 0.09 0.00 0.39 -0.23 0.00 0.00 178.00 178.35 2kb3 n GLU 75 N -4.37 3.72 -2.60 0.86 -0.58 -1.26 -4.96 120.64 111.45 2kb3 n GLU 75 Ca -0.03 -2.88 -0.42 0.00 -0.42 0.00 0.00 57.16 53.41 2kb3 n GLU 75 Cb 0.17 -1.93 -0.03 0.00 -0.57 0.00 0.00 31.44 29.08 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2kb3 s SER 76 N -1.27 7.23 0.17 1.62 1.04 -0.92 -4.75 113.70 116.82 2kb3 s SER 76 Ca 0.46 1.75 0.08 0.00 0.48 0.00 0.00 55.95 58.72 2kb3 s SER 76 Cb 0.34 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 2kb3 s SER 76 CO 0.15 -0.39 1.39 -0.78 0.98 0.00 0.00 173.24 174.60 2kb3 h ASP 77 N 6.93 0.02 -3.41 7.02 3.58 -1.70 -3.38 116.42 125.49 2kb3 h ASP 77 Ca -0.39 -0.02 -0.72 0.00 0.42 0.00 0.00 57.03 56.33 2kb3 h ASP 77 Cb 1.20 -0.01 -0.31 0.00 1.72 0.00 0.00 39.33 41.93 2kb3 h ASP 77 CO 0.80 0.88 -0.43 -0.63 -2.88 0.00 0.00 179.24 176.98 2kb3 s ILE 78 N -3.03 3.91 -0.26 2.25 -1.09 -0.66 -5.01 121.20 117.30 2kb3 s ILE 78 Ca -0.00 -1.95 -0.18 0.00 -2.23 0.00 0.00 60.65 56.29 2kb3 s ILE 78 Cb 0.11 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 2kb3 s ILE 78 CO 0.80 -0.76 0.51 0.12 -1.23 0.00 0.00 174.94 174.38 2kb3 s PHE 79 N 1.20 3.27 -0.01 3.97 5.36 -1.26 -2.17 117.98 128.34 2kb3 s PHE 79 Ca 0.07 0.64 0.05 0.00 -0.96 0.00 0.00 56.93 56.73 2kb3 s PHE 79 Cb -0.25 -2.71 -0.01 0.00 -0.34 0.00 0.00 43.02 39.71 2kb3 s PHE 79 CO -0.02 -0.27 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.79 2kb3 s LEU 80 N 2.28 2.03 -0.32 6.12 1.43 -1.26 -4.98 118.68 123.98 2kb3 s LEU 80 Ca 0.21 -0.30 -0.23 0.00 -1.03 0.00 0.00 54.13 52.78 2kb3 s LEU 80 Cb -0.16 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.23 2kb3 s LEU 80 CO 0.09 0.20 0.78 -1.81 0.23 0.00 0.00 176.35 175.84 2kb3 s ASP 81 N -0.40 6.62 0.83 2.29 1.01 -1.26 -4.48 116.67 121.29 2kb3 s ASP 81 Ca 0.06 0.55 -0.07 0.00 0.71 0.00 0.00 52.55 53.80 2kb3 s ASP 81 Cb -0.06 -2.40 0.17 0.00 1.01 0.00 0.00 42.92 41.64 2kb3 s ASP 81 CO -0.01 -0.64 1.15 -0.62 0.21 0.00 0.00 175.17 175.26 2kb3 s ASP 82 N 1.69 3.74 0.04 0.27 -1.08 -1.26 -4.86 116.67 115.21 2kb3 s ASP 82 Ca 0.32 -0.15 -0.01 0.00 -0.52 0.00 0.00 52.55 52.19 2kb3 s ASP 82 Cb -0.14 -0.04 -0.26 0.00 -1.46 0.00 0.00 42.92 41.02 2kb3 s ASP 82 CO 0.14 -2.29 0.99 0.58 0.52 0.00 0.00 175.17 175.10 2kb3 h VAL 83 N -1.04 1.31 -3.74 1.11 2.07 -1.97 -3.46 116.25 110.54 2kb3 h VAL 83 Ca -0.39 -2.96 0.00 0.00 0.82 0.00 0.00 66.70 64.17 2kb3 h VAL 83 Cb 1.25 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 2kb3 h VAL 83 CO 0.37 0.84 0.00 1.07 0.02 0.00 0.00 177.57 179.87 2kb3 n THR 84 N -3.43 0.00 -3.48 2.57 5.66 -1.26 -5.08 114.28 109.27 2kb3 n THR 84 Ca -0.12 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.46 2kb3 n THR 84 Cb 1.02 -0.28 -0.08 0.00 -1.55 0.00 0.00 70.33 69.44 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 0.01 4.60 -0.63 1.08 1.01 -1.26 -5.02 120.40 120.19 2kb3 s VAL 85 Ca 0.00 -1.52 -0.23 0.00 0.00 0.00 0.00 61.98 60.23 2kb3 s VAL 85 Cb 0.00 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.53 2kb3 s VAL 85 CO 0.00 -0.71 0.95 -0.94 0.00 0.00 0.00 175.10 174.40 2kb3 s SER 86 N 2.76 6.21 0.32 3.32 1.04 -1.26 -4.68 113.70 121.40 2kb3 s SER 86 Ca 0.04 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 55.65 2kb3 s SER 86 Cb -0.26 -2.42 0.56 0.00 0.10 0.00 0.00 66.02 64.00 2kb3 s SER 86 CO 0.02 -1.38 1.85 0.08 0.98 0.00 0.00 173.24 174.79 2kb3 h ARG 87 N 9.49 0.55 -2.09 4.02 0.11 -1.95 0.39 114.38 124.90 2kb3 h ARG 87 Ca -0.28 -0.13 -0.35 0.00 0.10 0.00 0.00 59.98 59.32 2kb3 h ARG 87 Cb 1.07 -0.08 -0.33 0.00 1.11 0.00 0.00 29.97 31.75 2kb3 h ARG 87 CO 1.15 0.59 -0.66 1.03 0.10 0.00 0.00 179.97 182.18 2kb3 s ARG 88 N -4.94 0.45 -0.25 0.08 1.81 -1.26 -4.45 118.95 110.39 2kb3 s ARG 88 Ca -0.08 -0.47 -0.15 0.00 -1.72 0.00 0.00 55.73 53.31 2kb3 s ARG 88 Cb 0.15 -0.71 -0.10 0.00 -0.45 0.00 0.00 34.95 33.84 2kb3 s ARG 88 CO 0.77 -1.10 -0.36 1.58 -0.68 0.00 0.00 175.30 175.51 2kb3 n HIS 89 N 4.85 0.00 -3.59 -0.53 -0.00 -1.21 -3.18 115.22 111.56 2kb3 n HIS 89 Ca 0.04 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.09 2kb3 n HIS 89 Cb 0.45 -0.87 -0.05 0.00 -0.12 0.00 0.00 29.99 29.40 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 -2.61 -1.22 0.00 1.57 0.00 -1.09 -1.01 121.76 117.40 2kb3 s ALA 90 Ca -0.36 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2kb3 s ALA 90 Cb 0.12 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 2kb3 s ALA 90 CO 0.47 -0.55 -0.03 -1.83 0.00 0.00 0.00 175.76 173.83 2kb3 s GLU 91 N -2.82 0.27 -0.28 0.00 -1.05 0.05 -0.34 118.70 114.52 2kb3 s GLU 91 Ca -0.03 -0.22 -0.08 0.00 -0.15 0.00 0.00 54.97 54.49 2kb3 s GLU 91 Cb -0.00 -0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.48 2kb3 s GLU 91 CO -0.05 0.05 0.11 -0.06 0.95 0.00 0.00 175.26 176.26 2kb3 s PHE 92 N -0.34 3.13 -0.17 4.83 0.08 0.11 -0.49 117.98 125.14 2kb3 s PHE 92 Ca -0.02 -0.56 -0.04 0.00 0.12 0.00 0.00 56.93 56.44 2kb3 s PHE 92 Cb -0.03 -2.29 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 2kb3 s PHE 92 CO -0.00 -0.43 -0.04 1.03 -0.10 0.00 0.00 175.22 175.69 2kb3 s ARG 93 N 1.60 3.62 -0.32 0.44 0.52 0.44 -0.23 118.95 125.01 2kb3 s ARG 93 Ca 0.05 -0.54 -0.09 0.00 -0.52 0.00 0.00 55.73 54.63 2kb3 s ARG 93 Cb -0.16 -2.94 0.01 0.00 0.52 0.00 0.00 34.95 32.38 2kb3 s ARG 93 CO 0.05 0.15 0.14 0.42 0.02 0.00 0.00 175.30 176.08 2kb3 s ILE 94 N 0.59 4.36 -0.16 1.52 1.09 0.56 -0.82 121.20 128.34 2kb3 s ILE 94 Ca -0.03 -0.66 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 2kb3 s ILE 94 Cb -0.14 -3.30 0.03 0.00 -1.06 0.00 0.00 42.46 37.99 2kb3 s ILE 94 CO 0.02 -0.03 -0.10 0.21 -0.10 0.00 0.00 174.94 174.95 2kb3 s ASN 95 N 1.55 2.80 -1.46 3.58 2.47 0.90 -4.75 114.94 120.04 2kb3 s ASN 95 Ca 0.03 -0.60 -0.11 0.00 0.42 0.00 0.00 52.86 52.61 2kb3 s ASN 95 Cb -0.18 -1.06 0.07 0.00 -1.45 0.00 0.00 41.25 38.63 2kb3 s ASN 95 CO 0.05 -0.12 0.77 -0.62 -3.72 0.00 0.00 177.10 173.46 2kb3 n GLU 96 N 4.81 -4.82 -0.51 0.43 -0.58 -1.26 -0.79 120.64 117.92 2kb3 n GLU 96 Ca -0.14 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 2kb3 n GLU 96 Cb 0.49 -5.46 0.00 0.00 -0.57 0.00 0.00 31.44 25.89 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 -1.51 1.16 3.82 0.62 0.00 -1.26 -5.03 105.19 102.99 2kb3 n GLY 97 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.25 -0.19 1.61 2.02 0.03 -4.98 118.70 120.12 2kb3 s GLU 98 Ca 0.00 -0.33 -0.04 0.00 0.02 0.00 0.00 54.97 54.62 2kb3 s GLU 98 Cb 0.00 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 2kb3 s GLU 98 CO 0.00 0.70 -0.03 -0.06 0.02 0.00 0.00 175.26 175.89 2kb3 s PHE 99 N -1.12 2.98 -0.00 1.61 0.40 -1.26 -0.07 117.98 120.51 2kb3 s PHE 99 Ca 0.20 -0.63 0.08 0.00 -0.60 0.00 0.00 56.93 55.98 2kb3 s PHE 99 Cb -0.12 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 2kb3 s PHE 99 CO 0.10 -0.33 -0.26 -1.83 0.70 0.00 0.00 175.22 173.60 2kb3 s GLU 100 N 1.03 2.04 -0.22 0.44 -1.05 -0.00 -0.69 118.70 120.25 2kb3 s GLU 100 Ca 0.01 -0.97 -0.09 0.00 -0.15 0.00 0.00 54.97 53.77 2kb3 s GLU 100 Cb -0.15 -2.03 -0.04 0.00 -0.44 0.00 0.00 34.13 31.47 2kb3 s GLU 100 CO 0.01 0.55 0.10 0.08 0.95 0.00 0.00 175.26 176.95 2kb3 s VAL 101 N -0.66 4.88 -0.19 1.83 1.01 0.10 -0.42 120.40 126.95 2kb3 s VAL 101 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 2kb3 s VAL 101 Cb -0.10 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 2kb3 s VAL 101 CO -0.00 0.38 -0.11 -0.69 0.00 0.00 0.00 175.10 174.68 2kb3 s VAL 102 N 0.98 2.91 -0.21 2.92 1.01 0.35 -0.10 120.40 128.26 2kb3 s VAL 102 Ca 0.05 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 2kb3 s VAL 102 Cb -0.14 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2kb3 s VAL 102 CO 0.03 0.48 0.70 -0.62 0.00 0.00 0.00 175.10 175.69 2kb3 s ASP 103 N 1.19 6.74 -0.06 3.32 2.15 0.81 -0.77 116.67 130.04 2kb3 s ASP 103 Ca 0.02 0.90 0.09 0.00 0.43 0.00 0.00 52.55 53.99 2kb3 s ASP 103 Cb -0.14 -2.38 0.22 0.00 -0.30 0.00 0.00 42.92 40.31 2kb3 s ASP 103 CO -0.04 -0.36 1.16 1.33 -0.17 0.00 0.00 175.17 177.08 2kb3 n VAL 104 N 4.92 1.39 0.02 1.11 0.24 -0.18 -4.77 118.33 121.07 2kb3 n VAL 104 Ca 0.01 -1.41 0.00 0.00 -2.04 0.00 0.00 64.34 60.90 2kb3 n VAL 104 Cb 0.49 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 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 -0.47 0.03 3.01 7.63 0.00 -0.67 -4.68 105.19 110.04 2kb3 n GLY 105 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2kb3 n GLY 105 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kb3 n SER 106 N -2.89 -5.67 -0.07 1.61 2.88 -1.26 -4.86 113.62 103.35 2kb3 n SER 106 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2kb3 n SER 106 Cb 0.00 -3.36 -0.05 0.00 -0.75 0.00 0.00 64.21 60.05 2kb3 n SER 106 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2kb3 h LEU 107 N 0.00 0.35 0.00 2.46 8.10 -1.93 -2.66 115.31 121.63 2kb3 h LEU 107 Ca 0.00 -0.27 0.00 0.00 0.11 0.00 0.00 57.88 57.72 2kb3 h LEU 107 Cb 0.93 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 41.06 2kb3 h LEU 107 CO 0.00 0.53 -1.15 -3.20 -4.11 0.00 0.00 178.44 170.51 2kb3 n ASN 108 N -4.71 0.62 -0.72 0.17 5.15 -1.26 -1.48 115.26 113.03 2kb3 n ASN 108 Ca -0.04 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 2kb3 n ASN 108 Cb 0.20 0.79 0.00 0.00 -0.53 0.00 0.00 39.78 40.24 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 1.26 -1.41 3.71 8.20 0.00 -1.00 -4.84 105.19 111.10 2kb3 n GLY 109 Ca 0.00 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 4.36 -0.17 2.61 2.01 -1.26 -4.79 115.64 118.40 2kb3 s THR 110 Ca 0.00 1.69 -0.02 0.00 0.31 0.00 0.00 61.69 63.66 2kb3 s THR 110 Cb 0.00 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 2kb3 s THR 110 CO 0.00 0.09 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.64 2kb3 s TYR 111 N 1.35 2.91 -0.05 4.92 1.51 -1.07 -1.79 117.35 125.13 2kb3 s TYR 111 Ca 0.56 -0.68 0.05 0.00 -1.01 0.00 0.00 57.07 55.98 2kb3 s TYR 111 Cb -0.25 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.62 2kb3 s TYR 111 CO 0.27 -0.30 -0.21 0.08 -1.11 0.00 0.00 175.55 174.28 2kb3 s VAL 112 N 0.78 1.72 -1.46 0.71 1.01 0.12 -0.20 120.40 123.08 2kb3 s VAL 112 Ca -0.03 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 2kb3 s VAL 112 Cb -0.15 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.81 2kb3 s VAL 112 CO 0.02 0.49 0.89 -3.20 0.00 0.00 0.00 175.10 173.29 2kb3 n ASN 113 N 3.11 -5.47 0.00 3.32 2.85 0.72 -1.78 115.26 118.01 2kb3 n ASN 113 Ca -0.18 -0.54 0.00 0.00 -0.11 0.00 0.00 54.58 53.75 2kb3 n ASN 113 Cb 0.52 -4.37 0.00 0.00 1.24 0.00 0.00 39.78 37.18 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 -4.50 -1.44 -4.31 1.20 1.74 -0.52 -4.84 116.66 103.99 2kb3 n ARG 114 Ca -0.01 0.36 -0.21 0.00 -0.77 0.00 0.00 57.85 57.21 2kb3 n ARG 114 Cb 0.56 -4.52 -0.13 0.00 -1.02 0.00 0.00 32.46 27.35 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kb3 s GLU 115 N -1.50 1.01 0.08 5.56 2.02 -0.74 -4.95 118.70 120.18 2kb3 s GLU 115 Ca 0.00 -0.98 -0.30 0.00 0.02 0.00 0.00 54.97 53.71 2kb3 s GLU 115 Cb 0.00 -1.12 -0.09 0.00 0.10 0.00 0.00 34.13 33.02 2kb3 s GLU 115 CO 0.00 0.26 1.88 -1.25 0.02 0.00 0.00 175.26 176.17 2kb3 s PRO 116 N -1.59 4.14 -0.10 0.39 0.04 -1.26 0.14 135.00 136.77 2kb3 s PRO 116 Ca 0.03 2.58 -0.06 0.00 0.04 0.00 0.00 61.00 63.58 2kb3 s PRO 116 Cb -0.09 -3.86 0.04 0.00 0.04 0.00 0.00 34.50 30.62 2kb3 s PRO 116 CO 0.03 -0.89 0.24 0.50 0.04 0.00 0.00 177.00 176.92 2kb3 s ARG 117 N 3.56 0.22 -0.06 4.56 6.06 -0.74 -4.87 118.95 127.68 2kb3 s ARG 117 Ca 0.84 0.46 0.15 0.00 -2.50 0.00 0.00 55.73 54.68 2kb3 s ARG 117 Cb -0.44 -0.04 -0.22 0.00 0.06 0.00 0.00 34.95 34.31 2kb3 s ARG 117 CO 0.38 -0.12 0.55 0.09 -2.50 0.00 0.00 175.30 173.70 2kb3 n ASN 118 N 3.83 0.63 -3.79 -2.12 5.03 -1.26 -4.64 115.26 112.94 2kb3 n ASN 118 Ca -0.21 0.30 -0.13 0.00 0.87 0.00 0.00 54.58 55.40 2kb3 n ASN 118 Cb 0.55 0.30 -0.14 0.00 -1.02 0.00 0.00 39.78 39.47 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kb3 s ALA 119 N -2.66 -0.28 0.00 5.41 0.00 -1.26 -0.14 121.76 122.83 2kb3 s ALA 119 Ca -0.06 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 2kb3 s ALA 119 Cb 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 2kb3 s ALA 119 CO 0.83 -0.10 0.01 -1.14 0.00 0.00 0.00 175.76 175.35 2kb3 s GLN 120 N 0.58 0.17 -0.24 0.00 2.00 0.86 -4.96 119.66 118.07 2kb3 s GLN 120 Ca -0.04 -0.26 -0.12 0.00 -2.00 0.00 0.00 55.36 52.94 2kb3 s GLN 120 Cb -0.06 0.06 -0.05 0.00 0.80 0.00 0.00 33.01 33.77 2kb3 s GLN 120 CO -0.03 -0.03 0.21 0.08 -0.50 0.00 0.00 175.29 175.03 2kb3 s VAL 121 N -0.67 5.32 0.21 1.34 1.01 -1.26 0.02 120.40 126.37 2kb3 s VAL 121 Ca -0.07 0.29 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 2kb3 s VAL 121 Cb -0.05 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 2kb3 s VAL 121 CO -0.00 0.32 0.64 -0.04 0.00 0.00 0.00 175.10 176.02 2kb3 s MET 122 N 1.19 4.06 0.16 2.72 1.00 0.14 -4.95 119.30 123.61 2kb3 s MET 122 Ca 0.10 0.63 0.07 0.00 0.00 0.00 0.00 55.69 56.49 2kb3 s MET 122 Cb -0.14 -2.79 -0.04 0.00 0.00 0.00 0.00 34.83 31.86 2kb3 s MET 122 CO 0.06 0.37 -0.15 1.14 0.00 0.00 0.00 175.02 176.43 2kb3 s GLN 123 N -2.25 1.21 0.17 2.03 -2.07 -1.26 -4.73 119.66 112.75 2kb3 s GLN 123 Ca 0.44 -1.42 -0.30 0.00 -1.82 0.00 0.00 55.36 52.25 2kb3 s GLN 123 Cb -0.14 -1.10 -0.08 0.00 -1.09 0.00 0.00 33.01 30.60 2kb3 s GLN 123 CO 0.20 0.20 1.27 -0.08 -1.32 0.00 0.00 175.29 175.56 2kb3 s THR 124 N -2.45 3.43 0.00 3.63 -1.32 -1.26 -2.61 115.64 115.05 2kb3 s THR 124 Ca 0.16 1.15 0.00 0.00 -1.21 0.00 0.00 61.69 61.79 2kb3 s THR 124 Cb -0.03 -3.73 0.00 0.00 -1.51 0.00 0.00 72.50 67.22 2kb3 s THR 124 CO 0.05 0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 2kb3 n GLY 125 N 2.51 0.55 3.76 6.08 0.00 0.16 -2.67 105.19 115.59 2kb3 n GLY 125 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.94 7.20 -0.17 1.61 -1.08 -1.07 -4.51 116.67 115.71 2kb3 s ASP 126 Ca 0.00 2.30 -0.02 0.00 -0.52 0.00 0.00 52.55 54.31 2kb3 s ASP 126 Cb 0.00 -2.63 -0.02 0.00 -1.46 0.00 0.00 42.92 38.82 2kb3 s ASP 126 CO 0.00 -0.21 -0.08 -0.70 0.52 0.00 0.00 175.17 174.71 2kb3 s GLU 127 N -1.32 3.45 -0.16 4.34 2.56 -1.26 -0.23 118.70 126.08 2kb3 s GLU 127 Ca 0.46 -0.62 -0.02 0.00 0.00 0.00 0.00 54.97 54.79 2kb3 s GLU 127 Cb -0.33 -2.84 -0.01 0.00 2.00 0.00 0.00 34.13 32.95 2kb3 s GLU 127 CO 0.42 0.07 -0.09 0.42 -0.56 0.00 0.00 175.26 175.51 2kb3 s ILE 128 N 0.78 3.21 -0.35 -3.70 1.09 0.90 -0.20 121.20 122.92 2kb3 s ILE 128 Ca -0.03 -0.58 -0.10 0.00 -1.10 0.00 0.00 60.65 58.84 2kb3 s ILE 128 Cb -0.15 -2.39 0.02 0.00 -1.06 0.00 0.00 42.46 38.88 2kb3 s ILE 128 CO 0.02 0.49 0.18 -1.58 -0.10 0.00 0.00 174.94 173.95 2kb3 s GLN 129 N 0.75 2.93 -0.28 2.79 2.00 0.72 -0.08 119.66 128.49 2kb3 s GLN 129 Ca -0.04 -1.00 -0.03 0.00 -2.00 0.00 0.00 55.36 52.29 2kb3 s GLN 129 Cb -0.15 -3.66 0.03 0.00 0.80 0.00 0.00 33.01 30.03 2kb3 s GLN 129 CO 0.02 -0.63 -0.01 0.42 -0.50 0.00 0.00 175.29 174.59 2kb3 s ILE 130 N 1.55 3.09 0.00 -2.34 -1.09 0.31 -2.61 121.20 120.12 2kb3 s ILE 130 Ca 0.02 -1.13 0.00 0.00 -2.23 0.00 0.00 60.65 57.31 2kb3 s ILE 130 Cb -0.19 -2.66 0.00 0.00 -1.58 0.00 0.00 42.46 38.03 2kb3 s ILE 130 CO 0.06 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 2kb3 n GLY 131 N 4.68 2.72 0.85 6.18 0.00 -1.26 -1.61 105.19 116.75 2kb3 n GLY 131 Ca -0.15 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 13.24 2.95 -4.54 1.61 2.85 -1.26 -4.98 118.16 128.03 2kb3 n LYS 132 Ca 0.00 -2.66 -0.26 0.00 -1.05 0.00 0.00 58.31 54.34 2kb3 n LYS 132 Cb 0.00 -1.72 -0.11 0.00 -0.65 0.00 0.00 35.03 32.56 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 -2.39 2.37 0.02 5.58 -0.12 -0.63 -4.94 117.98 117.87 2kb3 s PHE 133 Ca 0.38 -0.54 0.01 0.00 -0.05 0.00 0.00 56.93 56.73 2kb3 s PHE 133 Cb 0.29 -1.40 -0.02 0.00 -0.63 0.00 0.00 43.02 41.26 2kb3 s PHE 133 CO 0.11 0.53 -0.05 -0.98 -0.05 0.00 0.00 175.22 174.78 2kb3 s ARG 134 N -3.64 0.41 -0.02 1.99 1.70 -0.89 -0.53 118.95 117.97 2kb3 s ARG 134 Ca 0.33 -0.52 0.08 0.00 -0.47 0.00 0.00 55.73 55.14 2kb3 s ARG 134 Cb 0.04 -0.21 -0.02 0.00 -0.57 0.00 0.00 34.95 34.18 2kb3 s ARG 134 CO 0.16 0.04 -0.25 -0.51 -1.08 0.00 0.00 175.30 173.66 2kb3 s LEU 135 N -1.05 2.05 -0.22 -1.89 2.01 0.89 -1.13 118.68 119.34 2kb3 s LEU 135 Ca -0.07 -0.46 -0.04 0.00 0.01 0.00 0.00 54.13 53.57 2kb3 s LEU 135 Cb -0.07 -1.31 -0.01 0.00 0.01 0.00 0.00 46.19 44.81 2kb3 s LEU 135 CO -0.00 0.31 -0.04 -0.69 1.01 0.00 0.00 176.35 176.94 2kb3 s VAL 136 N -0.58 3.40 -0.15 -1.59 1.01 0.62 -0.07 120.40 123.05 2kb3 s VAL 136 Ca 0.09 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 2kb3 s VAL 136 Cb -0.10 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2kb3 s VAL 136 CO -0.01 0.42 0.62 0.12 0.00 0.00 0.00 175.10 176.25 2kb3 s PHE 137 N 1.44 3.46 0.18 5.22 5.36 0.68 -0.65 117.98 133.67 2kb3 s PHE 137 Ca 0.05 1.01 0.04 0.00 -0.96 0.00 0.00 56.93 57.07 2kb3 s PHE 137 Cb -0.14 -2.75 -0.05 0.00 -0.34 0.00 0.00 43.02 39.74 2kb3 s PHE 137 CO -0.03 -0.03 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.12 2kb3 s LEU 138 N 1.34 2.41 0.47 6.12 1.43 0.79 0.40 118.68 131.64 2kb3 s LEU 138 Ca 0.30 -1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 52.10 2kb3 s LEU 138 Cb -0.16 -0.34 -0.08 0.00 0.03 0.00 0.00 46.19 45.64 2kb3 s LEU 138 CO 0.12 -0.39 1.09 0.00 0.23 0.00 0.00 176.35 177.41 2kb3 s ALA 139 N -3.33 2.92 1.00 4.21 0.00 -1.26 -1.09 121.76 124.20 2kb3 s ALA 139 Ca 0.22 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2kb3 s ALA 139 Cb 0.03 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2kb3 s ALA 139 CO 0.04 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2kb3 n GLY 140 N 0.17 -1.09 3.76 0.00 0.00 -0.65 -4.36 105.19 103.03 2kb3 n GLY 140 Ca 0.08 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.43 3.63 -0.30 1.61 0.02 -1.26 -4.83 135.00 133.44 2kb3 s PRO 141 Ca 0.00 2.26 0.08 0.00 0.02 0.00 0.00 61.00 63.36 2kb3 s PRO 141 Cb 0.00 -2.56 0.48 0.00 0.02 0.00 0.00 34.50 32.44 2kb3 s PRO 141 CO 0.00 -0.81 1.42 0.00 -0.33 0.00 0.00 177.00 177.28 2kb3 n ALA 142 N -0.34 4.43 0.83 -1.55 0.00 -1.26 -2.89 120.51 119.74 2kb3 n ALA 142 Ca 0.06 -3.29 0.07 0.00 0.00 0.00 0.00 53.44 50.27 2kb3 n ALA 142 Cb 0.43 -0.67 0.40 0.00 0.00 0.00 0.00 19.45 19.61 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59