#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 s SER 2 N 0.00 4.78 0.77 3.17 0.01 -1.26 -5.12 113.70 116.05 2kb3 s SER 2 Ca 0.00 -0.44 -0.08 0.00 1.31 0.00 0.00 55.95 56.74 2kb3 s SER 2 Cb 0.00 -1.01 0.11 0.00 0.21 0.00 0.00 66.02 65.33 2kb3 s SER 2 CO 0.00 0.06 1.09 1.51 0.41 0.00 0.00 173.24 176.31 2kb3 s ASP 3 N -3.18 4.32 -0.33 2.44 -4.77 -1.26 -5.06 116.67 108.83 2kb3 s ASP 3 Ca 0.29 0.28 -0.02 0.00 -3.30 0.00 0.00 52.55 49.80 2kb3 s ASP 3 Cb -0.09 -0.73 0.07 0.00 -1.09 0.00 0.00 42.92 41.09 2kb3 s ASP 3 CO 0.19 -1.93 0.06 0.20 0.70 0.00 0.00 175.17 174.39 2kb3 s ASN 4 N -4.65 4.98 0.02 2.11 -0.87 -1.26 -5.07 114.94 110.20 2kb3 s ASN 4 Ca 0.65 -1.53 0.04 0.00 -1.57 0.00 0.00 52.86 50.45 2kb3 s ASN 4 Cb -0.08 -1.74 -0.02 0.00 -0.02 0.00 0.00 41.25 39.40 2kb3 s ASN 4 CO 0.47 -0.34 -0.12 0.54 -2.57 0.00 0.00 177.10 175.08 2kb3 s ASN 5 N 1.38 1.41 -0.01 -1.22 2.20 -1.26 -5.07 114.94 112.37 2kb3 s ASN 5 Ca -0.01 -0.34 -0.01 0.00 -0.94 0.00 0.00 52.86 51.56 2kb3 s ASN 5 Cb -0.20 -0.11 -0.00 0.00 -2.00 0.00 0.00 41.25 38.93 2kb3 s ASN 5 CO -0.02 0.06 -0.01 1.23 -2.94 0.00 0.00 177.10 175.41 2kb3 h GLY 6 N 5.33 0.00 -6.02 0.45 0.00 -2.07 -3.47 103.07 97.29 2kb3 h GLY 6 Ca -0.35 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.38 2kb3 h GLY 6 CO 0.46 0.00 -0.40 -0.51 0.00 0.00 0.00 176.54 176.09 2kb3 s THR 7 N -1.09 5.35 0.14 4.70 -4.23 -1.26 -5.06 115.64 114.20 2kb3 s THR 7 Ca -0.01 0.39 -0.31 0.00 -1.18 0.00 0.00 61.69 60.58 2kb3 s THR 7 Cb 0.00 -3.56 -0.08 0.00 1.34 0.00 0.00 72.50 70.20 2kb3 s THR 7 CO 0.01 0.43 1.36 -2.84 -0.54 0.00 0.00 174.62 173.04 2kb3 s PRO 8 N 0.32 4.34 -0.31 3.99 0.02 -1.26 -5.00 135.00 137.10 2kb3 s PRO 8 Ca 0.13 2.07 -0.11 0.00 0.02 0.00 0.00 61.00 63.11 2kb3 s PRO 8 Cb -0.12 -3.23 -0.02 0.00 0.02 0.00 0.00 34.50 31.14 2kb3 s PRO 8 CO 0.02 -0.38 0.18 -1.21 -0.33 0.00 0.00 177.00 175.28 2kb3 s GLU 9 N 0.73 3.55 0.48 5.54 2.02 -1.26 -5.08 118.70 124.69 2kb3 s GLU 9 Ca 0.62 -0.58 -0.11 0.00 0.02 0.00 0.00 54.97 54.91 2kb3 s GLU 9 Cb -0.37 -3.65 -0.06 0.00 0.10 0.00 0.00 34.13 30.15 2kb3 s GLU 9 CO 0.33 -0.35 0.87 -1.25 0.02 0.00 0.00 175.26 174.87 2kb3 s PRO 10 N 1.68 3.76 0.26 0.39 0.04 -1.26 -5.07 135.00 134.80 2kb3 s PRO 10 Ca 0.06 0.59 -0.05 0.00 0.04 0.00 0.00 61.00 61.64 2kb3 s PRO 10 Cb -0.17 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2kb3 s PRO 10 CO 0.09 -0.20 0.52 -1.14 0.04 0.00 0.00 177.00 176.31 2kb3 s GLN 11 N -4.25 3.65 -0.24 4.56 0.74 -1.26 -5.06 119.66 117.81 2kb3 s GLN 11 Ca 0.53 0.01 -0.07 0.00 0.05 0.00 0.00 55.36 55.89 2kb3 s GLN 11 Cb -0.10 -2.68 -0.03 0.00 1.10 0.00 0.00 33.01 31.30 2kb3 s GLN 11 CO 0.37 0.27 0.05 0.08 -0.55 0.00 0.00 175.29 175.50 2kb3 s VAL 12 N -1.98 4.18 0.30 1.34 1.01 -1.26 -5.05 120.40 118.93 2kb3 s VAL 12 Ca 0.44 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.26 2kb3 s VAL 12 Cb -0.11 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 2kb3 s VAL 12 CO 0.28 0.37 -0.03 -0.70 0.00 0.00 0.00 175.10 175.02 2kb3 s GLU 13 N 1.45 1.60 0.00 2.72 2.56 -1.26 -5.19 118.70 120.57 2kb3 s GLU 13 Ca 0.05 -1.83 0.00 0.00 0.00 0.00 0.00 54.97 53.19 2kb3 s GLU 13 Cb -0.15 -1.12 0.00 0.00 2.00 0.00 0.00 34.13 34.86 2kb3 s GLU 13 CO 0.02 -0.02 0.00 2.41 -0.56 0.00 0.00 175.26 177.12 2kb3 n THR 14 N -0.63 0.00 -3.15 -1.70 -1.04 -1.26 -4.85 114.28 101.65 2kb3 n THR 14 Ca -0.05 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.02 2kb3 n THR 14 Cb 0.64 -0.96 -0.02 0.00 -1.82 0.00 0.00 70.33 68.17 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 -1.52 -0.21 -0.35 8.00 0.01 -1.22 -4.11 113.70 114.30 2kb3 s SER 16 Ca 0.00 0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.22 2kb3 s SER 16 Cb 0.00 1.17 -0.01 0.00 0.21 0.00 0.00 66.02 67.39 2kb3 s SER 16 CO 0.00 -0.04 0.35 -0.69 0.41 0.00 0.00 173.24 173.27 2kb3 s VAL 17 N 2.98 5.18 -0.09 3.43 1.01 -1.26 -4.05 120.40 127.60 2kb3 s VAL 17 Ca -0.02 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 2kb3 s VAL 17 Cb -0.08 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2kb3 s VAL 17 CO -0.10 -0.13 0.24 -0.36 0.00 0.00 0.00 175.10 174.75 2kb3 s PHE 18 N 1.98 3.62 -0.87 5.22 0.08 -0.87 -5.00 117.98 122.14 2kb3 s PHE 18 Ca 0.11 0.68 -0.18 0.00 0.12 0.00 0.00 56.93 57.66 2kb3 s PHE 18 Cb -0.17 -2.10 0.15 0.00 -0.57 0.00 0.00 43.02 40.33 2kb3 s PHE 18 CO 0.12 0.64 1.01 1.03 -0.10 0.00 0.00 175.22 177.91 2kb3 s ARG 19 N -0.84 3.54 0.39 0.44 1.81 -1.26 -4.96 118.95 118.06 2kb3 s ARG 19 Ca 0.18 -1.86 0.07 0.00 -1.72 0.00 0.00 55.73 52.40 2kb3 s ARG 19 Cb -0.14 -4.73 -0.00 0.00 -0.45 0.00 0.00 34.95 29.63 2kb3 s ARG 19 CO 0.07 -1.64 0.49 0.00 -0.68 0.00 0.00 175.30 173.53 2kb3 s ALA 20 N 2.13 4.32 -2.07 2.13 0.00 -1.26 -4.98 121.76 122.02 2kb3 s ALA 20 Ca 0.27 -1.63 0.30 0.00 0.00 0.00 0.00 51.96 50.89 2kb3 s ALA 20 Cb -0.08 -1.52 1.40 0.00 0.00 0.00 0.00 23.12 22.92 2kb3 s ALA 20 CO -0.08 -0.17 1.95 -3.47 0.00 0.00 0.00 175.76 173.99 2kb3 n ASP 21 N -1.70 0.67 0.15 0.00 2.03 -1.26 -3.89 116.55 112.55 2kb3 n ASP 21 Ca 0.04 -1.05 0.11 0.00 0.52 0.00 0.00 54.79 54.41 2kb3 n ASP 21 Cb 0.59 -0.02 0.55 0.00 -0.72 0.00 0.00 41.12 41.52 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb3 n LEU 22 N -0.58 0.60 0.28 -2.67 -0.00 -1.26 -0.69 117.00 112.67 2kb3 n LEU 22 Ca 0.19 0.73 0.18 0.00 -0.00 0.00 0.00 56.01 57.11 2kb3 n LEU 22 Cb 0.25 -0.74 0.75 0.00 -0.00 0.00 0.00 43.42 43.68 2kb3 n LEU 22 CO 0.19 -0.81 1.01 0.17 -0.00 0.00 0.00 177.39 177.96 2kb3 h LEU 23 N 0.00 0.00 0.18 1.47 8.10 -2.00 0.11 115.31 123.17 2kb3 h LEU 23 Ca 0.00 0.00 -0.34 0.00 0.11 0.00 0.00 57.88 57.65 2kb3 h LEU 23 Cb 0.13 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.37 2kb3 h LEU 23 CO 0.00 0.00 -1.64 0.11 -4.11 0.00 0.00 178.44 172.80 2kb3 h LYS 24 N 0.00 0.39 -0.60 0.17 1.79 -1.23 -3.29 116.57 113.80 2kb3 h LYS 24 Ca 0.00 -0.66 0.07 0.00 -2.18 0.00 0.00 60.65 57.88 2kb3 h LYS 24 Cb 0.43 0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 31.29 2kb3 h LYS 24 CO 0.00 1.29 0.40 0.93 -1.08 0.00 0.00 179.45 180.99 2kb3 h GLU 25 N 0.11 0.53 -0.33 3.15 4.39 -1.31 -1.63 114.58 119.48 2kb3 h GLU 25 Ca -0.30 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.43 2kb3 h GLU 25 Cb 2.09 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 30.57 2kb3 h GLU 25 CO 0.19 0.35 -0.01 1.98 -1.16 0.00 0.00 179.01 180.36 2kb3 h MET 26 N 0.54 0.08 -0.25 2.33 4.05 -0.87 -0.77 114.93 120.04 2kb3 h MET 26 Ca 0.26 -0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.55 2kb3 h MET 26 Cb 0.33 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 2kb3 h MET 26 CO -0.08 0.05 -0.38 1.49 0.23 0.00 0.00 176.91 178.22 2kb3 h GLU 27 N 0.08 0.59 -0.65 0.39 4.81 -1.41 0.09 114.58 118.48 2kb3 h GLU 27 Ca 0.16 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2kb3 h GLU 27 Cb 0.22 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 2kb3 h GLU 27 CO -0.28 0.88 0.30 0.77 -0.73 0.00 0.00 179.01 179.94 2kb3 h SER 28 N 0.49 0.84 1.17 1.04 0.02 -1.03 -2.13 113.55 113.95 2kb3 h SER 28 Ca 0.05 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2kb3 h SER 28 Cb 0.89 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2kb3 h SER 28 CO 0.08 0.73 -0.53 0.77 -1.14 0.00 0.00 176.83 176.73 2kb3 h SER 29 N 0.92 0.00 -2.66 3.07 4.64 -0.82 -3.46 113.55 115.25 2kb3 h SER 29 Ca 0.23 -0.09 -0.53 0.00 -0.47 0.00 0.00 61.79 60.92 2kb3 h SER 29 Cb 0.12 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.23 2kb3 h SER 29 CO -0.03 0.05 1.02 -0.89 -0.87 0.00 0.00 176.83 176.11 2kb3 s THR 30 N -3.22 2.90 0.00 2.95 2.01 -0.01 -2.79 115.64 117.48 2kb3 s THR 30 Ca 0.05 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.43 2kb3 s THR 30 Cb 0.11 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.37 2kb3 s THR 30 CO 0.71 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.25 2kb3 n GLY 31 N 4.04 1.96 3.83 4.40 0.00 -1.26 -4.97 105.19 113.19 2kb3 n GLY 31 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 5.21 0.43 2.61 -1.32 -1.12 -5.09 115.64 114.36 2kb3 s THR 32 Ca 0.00 0.09 -0.22 0.00 -1.21 0.00 0.00 61.69 60.35 2kb3 s THR 32 Cb 0.00 -3.25 -0.09 0.00 -1.51 0.00 0.00 72.50 67.65 2kb3 s THR 32 CO 0.00 0.61 1.02 0.00 -2.21 0.00 0.00 174.62 174.04 2kb3 s ALA 33 N -1.00 3.00 0.42 11.08 0.00 -1.26 -5.00 121.76 129.00 2kb3 s ALA 33 Ca 0.15 0.59 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 2kb3 s ALA 33 Cb -0.12 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 2kb3 s ALA 33 CO 0.04 -0.15 1.40 -2.14 0.00 0.00 0.00 175.76 174.90 2kb3 s PRO 34 N -2.89 3.89 -0.24 0.00 0.02 -1.26 -4.97 135.00 129.54 2kb3 s PRO 34 Ca 0.62 2.37 -0.11 0.00 0.02 0.00 0.00 61.00 63.90 2kb3 s PRO 34 Cb -0.17 -2.77 -0.05 0.00 0.02 0.00 0.00 34.50 31.53 2kb3 s PRO 34 CO 0.21 -0.64 0.19 0.00 -0.33 0.00 0.00 177.00 176.44 2kb3 s ALA 35 N -1.20 3.60 -0.22 -1.55 0.00 -1.26 -5.03 121.76 116.11 2kb3 s ALA 35 Ca 0.57 -0.86 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 2kb3 s ALA 35 Cb -0.43 -2.38 0.10 0.00 0.00 0.00 0.00 23.12 20.42 2kb3 s ALA 35 CO 0.56 -0.24 0.90 -1.12 0.00 0.00 0.00 175.76 175.86 2kb3 s SER 36 N 1.12 -0.53 0.00 0.00 0.01 -1.24 -3.16 113.70 109.89 2kb3 s SER 36 Ca 0.09 0.87 0.02 0.00 1.31 0.00 0.00 55.95 58.23 2kb3 s SER 36 Cb -0.14 0.83 0.04 0.00 0.21 0.00 0.00 66.02 66.96 2kb3 s SER 36 CO 0.05 -0.29 0.99 1.07 0.41 0.00 0.00 173.24 175.48 2kb3 n THR 37 N 1.78 0.89 0.00 1.44 5.66 0.33 -4.80 114.28 119.58 2kb3 n THR 37 Ca -0.13 -0.95 0.00 0.00 -3.05 0.00 0.00 64.05 59.92 2kb3 n THR 37 Cb 0.56 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.90 2kb3 n THR 37 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kb3 n GLY 38 N -0.30 -1.80 0.16 1.09 0.00 -1.25 -5.03 105.19 98.06 2kb3 n GLY 38 Ca 0.02 0.71 -0.06 0.00 0.00 0.00 0.00 46.02 46.68 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 -0.22 4.61 0.00 -1.87 -1.81 119.26 120.39 2kb3 h ALA 39 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kb3 h ALA 39 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kb3 h ALA 39 CO 0.00 -0.26 0.00 -0.85 0.00 0.00 0.00 179.25 178.14 2kb3 n GLU 40 N -5.01 2.02 -0.05 0.00 0.28 -1.26 -4.54 120.64 112.08 2kb3 n GLU 40 Ca 0.01 -1.90 -0.22 0.00 -0.16 0.00 0.00 57.16 54.89 2kb3 n GLU 40 Cb 0.12 -1.39 -0.13 0.00 1.43 0.00 0.00 31.44 31.48 2kb3 n GLU 40 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kb3 n ASN 41 N 1.10 2.01 -3.62 -1.84 4.13 -0.70 -5.00 115.26 111.34 2kb3 n ASN 41 Ca 0.14 0.29 -0.22 0.00 1.68 0.00 0.00 54.58 56.46 2kb3 n ASN 41 Cb 0.49 -0.89 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 2kb3 n ASN 41 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kb3 n LEU 42 N -3.89 -1.36 0.00 3.41 7.99 -1.11 -4.85 117.00 117.19 2kb3 n LEU 42 Ca -0.34 -0.84 0.00 0.00 -0.01 0.00 0.00 56.01 54.82 2kb3 n LEU 42 Cb 0.89 -1.31 0.00 0.00 -0.11 0.00 0.00 43.42 42.89 2kb3 n LEU 42 CO 0.31 0.37 0.43 -0.81 -1.51 0.00 0.00 177.39 176.18 2kb3 n PRO 43 N -2.44 0.00 0.00 3.23 -0.04 -1.26 -1.46 135.00 133.03 2kb3 n PRO 43 Ca -0.26 0.86 0.13 0.00 -0.04 0.00 0.00 63.50 64.19 2kb3 n PRO 43 Cb 0.57 -1.31 0.44 0.00 -0.04 0.00 0.00 33.50 33.16 2kb3 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 n ALA 44 N -2.74 3.02 -0.52 0.55 0.00 -0.25 -4.74 120.51 115.83 2kb3 n ALA 44 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2kb3 n ALA 44 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.35 1.94 3.55 0.00 0.00 -0.54 -4.98 105.19 106.51 2kb3 n GLY 45 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.47 4.18 0.07 1.61 0.01 -1.26 -5.03 113.70 109.81 2kb3 s SER 46 Ca 0.00 -0.57 -0.16 0.00 1.31 0.00 0.00 55.95 56.52 2kb3 s SER 46 Cb 0.00 -0.68 0.03 0.00 0.21 0.00 0.00 66.02 65.58 2kb3 s SER 46 CO 0.00 0.12 0.38 0.00 0.41 0.00 0.00 173.24 174.16 2kb3 s ALA 47 N -1.58 -0.90 0.14 1.44 0.00 -1.26 -0.10 121.76 119.50 2kb3 s ALA 47 Ca 0.23 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.33 2kb3 s ALA 47 Cb -0.09 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 2kb3 s ALA 47 CO 0.14 -0.52 -0.07 -0.48 0.00 0.00 0.00 175.76 174.84 2kb3 s LEU 48 N -2.33 2.43 -0.03 0.00 -0.00 0.49 -1.21 118.68 118.04 2kb3 s LEU 48 Ca -0.02 -1.05 0.03 0.00 -0.00 0.00 0.00 54.13 53.09 2kb3 s LEU 48 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 46.19 46.00 2kb3 s LEU 48 CO -0.06 -0.43 -0.11 -1.48 -0.00 0.00 0.00 176.35 174.27 2kb3 s LEU 49 N -3.14 1.79 -0.09 1.48 2.34 0.40 -0.33 118.68 121.13 2kb3 s LEU 49 Ca 0.17 -0.22 0.03 0.00 0.06 0.00 0.00 54.13 54.16 2kb3 s LEU 49 Cb 0.04 -0.64 -0.01 0.00 -0.56 0.00 0.00 46.19 45.01 2kb3 s LEU 49 CO -0.00 0.08 -0.17 0.54 -1.06 0.00 0.00 176.35 175.73 2kb3 s VAL 50 N 0.22 2.70 -0.25 1.48 0.11 -0.06 -0.52 120.40 124.07 2kb3 s VAL 50 Ca -0.04 -0.81 -0.29 0.00 -2.93 0.00 0.00 61.98 57.90 2kb3 s VAL 50 Cb -0.10 -2.07 0.01 0.00 -1.53 0.00 0.00 36.38 32.69 2kb3 s VAL 50 CO 0.01 0.56 1.11 -0.69 -3.33 0.00 0.00 175.10 172.76 2kb3 s VAL 51 N -0.02 4.52 -0.06 2.04 1.01 0.34 -0.47 120.40 127.76 2kb3 s VAL 51 Ca -0.05 1.81 0.11 0.00 0.00 0.00 0.00 61.98 63.84 2kb3 s VAL 51 Cb -0.14 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 31.73 2kb3 s VAL 51 CO 0.04 -0.28 0.59 0.29 0.00 0.00 0.00 175.10 175.75 2kb3 n LYS 52 N 6.60 0.65 -3.87 2.72 4.76 -0.28 -0.42 118.16 128.32 2kb3 n LYS 52 Ca 0.13 0.28 -0.11 0.00 -2.87 0.00 0.00 58.31 55.73 2kb3 n LYS 52 Cb 0.46 -1.77 -0.11 0.00 -1.84 0.00 0.00 35.03 31.77 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2kb3 s ARG 53 N -2.59 0.31 0.00 1.97 6.06 -1.05 -4.74 118.95 118.91 2kb3 s ARG 53 Ca -0.07 -0.19 0.00 0.00 -2.50 0.00 0.00 55.73 52.97 2kb3 s ARG 53 Cb 0.08 0.13 0.00 0.00 0.06 0.00 0.00 34.95 35.22 2kb3 s ARG 53 CO 0.82 -0.06 0.00 0.41 -2.50 0.00 0.00 175.30 173.97 2kb3 n GLY 54 N 2.14 1.26 0.26 8.12 0.00 -1.26 -3.61 105.19 112.10 2kb3 n GLY 54 Ca -0.19 -2.19 0.06 0.00 0.00 0.00 0.00 46.02 43.70 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 0.16 -0.68 1.61 0.11 -2.01 -1.01 132.00 130.18 2kb3 h PRO 55 Ca 0.00 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 2kb3 h PRO 55 Cb 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 2kb3 h PRO 55 CO 0.00 0.18 0.07 0.09 -0.21 0.00 0.00 178.00 178.13 2kb3 n ASN 56 N -4.44 4.92 -4.72 -2.05 3.02 -1.26 -4.97 115.26 105.75 2kb3 n ASN 56 Ca -0.01 -2.87 -0.42 0.00 -0.03 0.00 0.00 54.58 51.25 2kb3 n ASN 56 Cb 0.14 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 38.61 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb3 s ALA 57 N -2.56 3.91 0.00 5.41 0.00 -0.39 -1.57 121.76 126.56 2kb3 s ALA 57 Ca 0.47 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.98 2kb3 s ALA 57 Cb 0.37 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2kb3 s ALA 57 CO 0.13 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.40 2kb3 n GLY 58 N 3.86 1.21 3.84 0.00 0.00 0.44 -4.98 105.19 109.57 2kb3 n GLY 58 Ca 0.15 0.00 -0.35 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 -2.25 3.57 0.07 4.61 0.00 -0.61 -4.89 121.76 122.27 2kb3 s ALA 59 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 51.91 2kb3 s ALA 59 Cb 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 2kb3 s ALA 59 CO 0.00 0.45 -0.20 -0.98 0.00 0.00 0.00 175.76 175.03 2kb3 s ARG 60 N -2.01 1.20 0.03 0.00 1.70 -1.26 -0.50 118.95 118.10 2kb3 s ARG 60 Ca 0.39 -1.03 0.04 0.00 -0.47 0.00 0.00 55.73 54.66 2kb3 s ARG 60 Cb -0.15 -1.37 -0.02 0.00 -0.57 0.00 0.00 34.95 32.85 2kb3 s ARG 60 CO 0.19 0.33 -0.13 -0.06 -1.08 0.00 0.00 175.30 174.56 2kb3 s PHE 61 N -0.99 1.13 -0.11 5.89 0.08 0.32 -4.96 117.98 119.34 2kb3 s PHE 61 Ca 0.06 -0.33 -0.00 0.00 0.12 0.00 0.00 56.93 56.78 2kb3 s PHE 61 Cb -0.09 -0.68 -0.02 0.00 -0.57 0.00 0.00 43.02 41.65 2kb3 s PHE 61 CO 0.03 0.02 -0.09 -0.48 -0.10 0.00 0.00 175.22 174.59 2kb3 s LEU 62 N -0.99 2.99 -0.52 -0.37 2.34 -1.26 -0.45 118.68 120.41 2kb3 s LEU 62 Ca 0.01 -0.17 -0.20 0.00 0.06 0.00 0.00 54.13 53.83 2kb3 s LEU 62 Cb -0.07 -1.67 0.06 0.00 -0.56 0.00 0.00 46.19 43.95 2kb3 s LEU 62 CO 0.01 0.24 0.67 -0.76 -1.06 0.00 0.00 176.35 175.45 2kb3 s LEU 63 N -0.11 4.91 0.00 1.48 1.43 -0.35 -4.78 118.68 121.27 2kb3 s LEU 63 Ca 0.00 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 2kb3 s LEU 63 Cb -0.13 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2kb3 s LEU 63 CO 0.03 -0.95 0.00 -0.67 0.23 0.00 0.00 176.35 174.99 2kb3 n ASP 64 N 6.33 1.13 -4.71 2.29 2.03 -1.26 -4.32 116.55 118.04 2kb3 n ASP 64 Ca -0.06 -0.35 -0.33 0.00 0.52 0.00 0.00 54.79 54.57 2kb3 n ASP 64 Cb 0.45 0.94 -0.08 0.00 -0.72 0.00 0.00 41.12 41.70 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 -1.16 2.86 0.54 -0.67 0.00 -1.26 -4.99 119.66 114.97 2kb3 s GLN 65 Ca 0.00 -0.58 0.28 0.00 -0.00 0.00 0.00 55.36 55.06 2kb3 s GLN 65 Cb 0.00 -2.72 1.44 0.00 0.00 0.00 0.00 33.01 31.74 2kb3 s GLN 65 CO 0.00 0.63 1.95 -1.35 0.00 0.00 0.00 175.29 176.52 2kb3 h PRO 66 N 4.28 0.00 -3.31 9.60 0.11 -1.94 -3.39 132.00 137.36 2kb3 h PRO 66 Ca -0.49 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.28 2kb3 h PRO 66 Cb 1.18 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.91 2kb3 h PRO 66 CO 0.59 0.00 -0.72 0.99 -0.21 0.00 0.00 178.00 178.65 2kb3 s THR 67 N -4.95 -0.12 -0.03 -1.15 2.01 -1.26 -0.48 115.64 109.65 2kb3 s THR 67 Ca -0.05 0.38 0.06 0.00 0.31 0.00 0.00 61.69 62.39 2kb3 s THR 67 Cb 0.20 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.52 2kb3 s THR 67 CO 0.73 0.16 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.70 2kb3 s THR 68 N 1.98 2.40 -0.01 -0.82 2.01 0.88 -4.99 115.64 117.08 2kb3 s THR 68 Ca 0.02 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.10 2kb3 s THR 68 Cb -0.12 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 2kb3 s THR 68 CO -0.03 0.58 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.42 2kb3 s THR 69 N -0.61 2.87 -0.06 -0.82 2.01 -1.26 0.17 115.64 117.95 2kb3 s THR 69 Ca 0.09 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.22 2kb3 s THR 69 Cb -0.11 -2.15 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 2kb3 s THR 69 CO -0.00 0.50 -0.24 0.00 -0.69 0.00 0.00 174.62 174.18 2kb3 s ALA 70 N -0.79 2.21 0.00 7.40 0.00 0.61 -2.51 121.76 128.67 2kb3 s ALA 70 Ca 0.13 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2kb3 s ALA 70 Cb -0.11 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2kb3 s ALA 70 CO 0.02 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2kb3 n GLY 71 N 2.93 0.11 3.11 0.00 0.00 -0.95 -2.55 105.19 107.85 2kb3 n GLY 71 Ca -0.17 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 2.86 0.00 1.61 3.52 -0.24 -2.44 118.95 122.27 2kb3 s ARG 72 Ca 0.00 -0.92 0.00 0.00 -0.13 0.00 0.00 55.73 54.68 2kb3 s ARG 72 Cb 0.00 -2.63 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 2kb3 s ARG 72 CO 0.00 -0.27 0.00 -2.39 -0.81 0.00 0.00 175.30 171.83 2kb3 n HIS 73 N 4.59 0.00 0.28 5.12 1.44 -1.26 -4.51 115.22 120.87 2kb3 n HIS 73 Ca -0.20 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.64 2kb3 n HIS 73 Cb 0.49 0.00 0.80 0.00 0.12 0.00 0.00 29.99 31.39 2kb3 n HIS 73 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 2kb3 h PRO 74 N 0.00 0.00 -0.01 -1.40 0.11 -1.99 -1.80 132.00 126.91 2kb3 h PRO 74 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kb3 h PRO 74 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kb3 h PRO 74 CO 0.00 0.07 -0.16 0.39 -0.21 0.00 0.00 178.00 178.09 2kb3 n GLU 75 N -3.79 0.74 -2.15 1.05 4.71 -1.26 -4.76 120.64 115.17 2kb3 n GLU 75 Ca -0.02 -0.33 -0.42 0.00 -0.01 0.00 0.00 57.16 56.38 2kb3 n GLU 75 Cb 0.17 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.08 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2kb3 s SER 76 N -2.49 5.93 0.16 1.62 0.01 -0.68 -4.52 113.70 113.73 2kb3 s SER 76 Ca 0.27 0.87 0.04 0.00 1.31 0.00 0.00 55.95 58.44 2kb3 s SER 76 Cb 0.20 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2kb3 s SER 76 CO 0.49 -1.75 1.36 -0.78 0.41 0.00 0.00 173.24 172.97 2kb3 h ASP 77 N 12.41 0.18 -3.14 2.44 3.58 -1.79 -3.37 116.42 126.73 2kb3 h ASP 77 Ca -0.30 -0.16 -0.75 0.00 0.42 0.00 0.00 57.03 56.24 2kb3 h ASP 77 Cb 1.14 -0.06 -0.24 0.00 1.72 0.00 0.00 39.33 41.89 2kb3 h ASP 77 CO 1.10 1.00 -0.25 -0.63 -2.88 0.00 0.00 179.24 177.57 2kb3 s ILE 78 N -3.08 5.11 -0.30 2.25 -1.09 -1.11 -5.01 121.20 117.98 2kb3 s ILE 78 Ca -0.02 -1.46 -0.11 0.00 -2.23 0.00 0.00 60.65 56.83 2kb3 s ILE 78 Cb 0.10 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 2kb3 s ILE 78 CO 0.82 -0.81 0.19 0.12 -1.23 0.00 0.00 174.94 174.04 2kb3 s PHE 79 N 1.58 3.21 -0.14 3.97 5.36 -1.26 -2.23 117.98 128.47 2kb3 s PHE 79 Ca 0.03 -0.06 0.01 0.00 -0.96 0.00 0.00 56.93 55.95 2kb3 s PHE 79 Cb -0.29 -2.40 0.02 0.00 -0.34 0.00 0.00 43.02 40.01 2kb3 s PHE 79 CO 0.03 -0.25 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.86 2kb3 s LEU 80 N 1.73 1.85 -0.05 6.12 2.01 -1.02 -4.90 118.68 124.42 2kb3 s LEU 80 Ca 0.07 -0.52 0.02 0.00 0.01 0.00 0.00 54.13 53.71 2kb3 s LEU 80 Cb -0.16 -1.26 0.01 0.00 0.01 0.00 0.00 46.19 44.79 2kb3 s LEU 80 CO 0.10 -0.00 -0.10 -0.62 1.01 0.00 0.00 176.35 176.74 2kb3 s ASP 81 N 1.20 1.46 0.28 2.29 2.15 -1.26 -4.28 116.67 118.50 2kb3 s ASP 81 Ca -0.00 -0.23 0.02 0.00 0.43 0.00 0.00 52.55 52.76 2kb3 s ASP 81 Cb -0.14 -0.57 -0.03 0.00 -0.30 0.00 0.00 42.92 41.88 2kb3 s ASP 81 CO -0.07 0.04 0.26 -0.62 -0.17 0.00 0.00 175.17 174.60 2kb3 s ASP 82 N 0.51 0.92 0.46 -0.34 2.15 -1.26 -4.60 116.67 114.50 2kb3 s ASP 82 Ca -0.10 -1.54 0.11 0.00 0.43 0.00 0.00 52.55 51.45 2kb3 s ASP 82 Cb -0.13 0.50 1.04 0.00 -0.30 0.00 0.00 42.92 44.04 2kb3 s ASP 82 CO 0.02 -1.01 2.10 0.58 -0.17 0.00 0.00 175.17 176.68 2kb3 h VAL 83 N 2.32 1.06 -3.10 1.11 2.07 -2.05 -3.37 116.25 114.30 2kb3 h VAL 83 Ca -0.30 -0.12 -0.57 0.00 0.82 0.00 0.00 66.70 66.53 2kb3 h VAL 83 Cb 1.24 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 2kb3 h VAL 83 CO 0.43 0.06 1.00 -0.89 0.02 0.00 0.00 177.57 178.19 2kb3 s THR 84 N -5.28 4.06 -0.09 2.57 2.01 -1.26 -4.98 115.64 112.67 2kb3 s THR 84 Ca -0.07 1.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.82 2kb3 s THR 84 Cb 0.17 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 2kb3 s THR 84 CO 0.70 -0.47 1.02 -0.69 -0.69 0.00 0.00 174.62 174.49 2kb3 s VAL 85 N 4.58 4.74 -0.26 3.82 1.01 -1.26 -4.96 120.40 128.07 2kb3 s VAL 85 Ca 0.59 2.00 -0.02 0.00 0.00 0.00 0.00 61.98 64.55 2kb3 s VAL 85 Cb -0.18 -4.29 0.12 0.00 0.00 0.00 0.00 36.38 32.03 2kb3 s VAL 85 CO 0.25 0.02 0.24 -0.44 0.00 0.00 0.00 175.10 175.17 2kb3 s SER 86 N 1.12 1.95 -0.07 3.32 0.01 -1.26 -3.42 113.70 115.35 2kb3 s SER 86 Ca 0.49 -0.70 -0.23 0.00 1.31 0.00 0.00 55.95 56.83 2kb3 s SER 86 Cb -0.19 0.30 -0.30 0.00 0.21 0.00 0.00 66.02 66.04 2kb3 s SER 86 CO 0.19 -0.38 0.83 0.08 0.41 0.00 0.00 173.24 174.37 2kb3 h ARG 87 N 8.31 0.23 -4.62 12.44 0.11 -1.79 -2.70 114.38 126.36 2kb3 h ARG 87 Ca -0.16 -0.39 -0.67 0.00 0.10 0.00 0.00 59.98 58.87 2kb3 h ARG 87 Cb 1.09 0.15 -0.39 0.00 1.11 0.00 0.00 29.97 31.92 2kb3 h ARG 87 CO 0.34 1.19 -0.69 1.03 0.10 0.00 0.00 179.97 181.94 2kb3 s ARG 88 N -2.39 1.58 -0.25 0.08 3.00 -1.26 -1.08 118.95 118.63 2kb3 s ARG 88 Ca -0.15 -1.90 -0.15 0.00 0.00 0.00 0.00 55.73 53.53 2kb3 s ARG 88 Cb 0.00 -3.27 -0.10 0.00 0.00 0.00 0.00 34.95 31.58 2kb3 s ARG 88 CO 0.79 -0.97 -0.35 1.58 0.00 0.00 0.00 175.30 176.35 2kb3 n HIS 89 N 4.27 0.00 -3.67 -0.53 -0.00 -1.06 -3.83 115.22 110.40 2kb3 n HIS 89 Ca 0.03 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.11 2kb3 n HIS 89 Cb 0.42 -0.85 -0.03 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 -1.09 -0.03 1.57 0.00 -1.07 -0.32 121.76 118.22 2kb3 s ALA 90 Ca -0.36 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 51.59 2kb3 s ALA 90 Cb 0.12 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 2kb3 s ALA 90 CO 0.47 -0.80 -0.19 -1.21 0.00 0.00 0.00 175.76 174.03 2kb3 s GLU 91 N -3.84 1.79 -0.32 0.00 2.02 0.88 -0.28 118.70 118.94 2kb3 s GLU 91 Ca 0.07 -0.69 -0.09 0.00 0.02 0.00 0.00 54.97 54.28 2kb3 s GLU 91 Cb -0.01 -1.62 0.01 0.00 0.10 0.00 0.00 34.13 32.61 2kb3 s GLU 91 CO -0.05 0.34 0.14 -0.06 0.02 0.00 0.00 175.26 175.65 2kb3 s PHE 92 N -0.21 3.19 -0.09 1.61 0.40 0.13 -0.45 117.98 122.56 2kb3 s PHE 92 Ca 0.01 -0.85 0.00 0.00 -0.60 0.00 0.00 56.93 55.50 2kb3 s PHE 92 Cb -0.10 -2.34 -0.03 0.00 0.51 0.00 0.00 43.02 41.06 2kb3 s PHE 92 CO 0.01 -0.56 -0.08 0.50 0.70 0.00 0.00 175.22 175.79 2kb3 s ARG 93 N 1.55 3.00 -0.31 0.44 3.52 0.56 -0.08 118.95 127.63 2kb3 s ARG 93 Ca 0.03 -0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 54.98 2kb3 s ARG 93 Cb -0.18 -2.64 0.02 0.00 -1.56 0.00 0.00 34.95 30.59 2kb3 s ARG 93 CO 0.05 0.51 0.10 0.42 -0.81 0.00 0.00 175.30 175.57 2kb3 s ILE 94 N -0.40 4.02 -0.06 4.11 -1.09 0.36 -0.28 121.20 127.87 2kb3 s ILE 94 Ca 0.06 -0.78 -0.01 0.00 -2.23 0.00 0.00 60.65 57.69 2kb3 s ILE 94 Cb -0.12 -3.13 0.03 0.00 -1.58 0.00 0.00 42.46 37.66 2kb3 s ILE 94 CO 0.02 0.00 -0.00 0.21 -1.23 0.00 0.00 174.94 173.94 2kb3 s ASN 95 N 1.49 1.30 -1.46 3.58 2.47 0.55 -4.69 114.94 118.17 2kb3 s ASN 95 Ca 0.02 -0.07 -0.08 0.00 0.42 0.00 0.00 52.86 53.14 2kb3 s ASN 95 Cb -0.18 -0.39 0.04 0.00 -1.45 0.00 0.00 41.25 39.27 2kb3 s ASN 95 CO 0.03 -0.16 0.78 1.21 -3.72 0.00 0.00 177.10 175.23 2kb3 n GLU 96 N 4.85 -5.33 -0.86 0.43 2.13 -1.26 -1.02 120.64 119.57 2kb3 n GLU 96 Ca -0.12 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.44 2kb3 n GLU 96 Cb 0.50 -5.62 0.00 0.00 0.27 0.00 0.00 31.44 26.59 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kb3 n GLY 97 N -1.58 1.09 3.82 8.31 0.00 -1.26 -5.01 105.19 110.56 2kb3 n GLY 97 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.07 3.19 -0.20 1.61 2.02 -0.19 -5.06 118.70 120.00 2kb3 s GLU 98 Ca 0.00 -0.43 -0.07 0.00 0.02 0.00 0.00 54.97 54.49 2kb3 s GLU 98 Cb 0.00 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.25 2kb3 s GLU 98 CO 0.00 0.66 0.05 -0.06 0.02 0.00 0.00 175.26 175.93 2kb3 s PHE 99 N -1.24 3.17 0.05 1.61 0.40 -1.26 -0.33 117.98 120.38 2kb3 s PHE 99 Ca 0.24 -0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.51 2kb3 s PHE 99 Cb -0.12 -2.11 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 2kb3 s PHE 99 CO 0.16 -0.02 -0.14 -1.83 0.70 0.00 0.00 175.22 174.09 2kb3 s GLU 100 N 0.72 0.89 -0.18 0.44 -1.05 0.62 0.18 118.70 120.32 2kb3 s GLU 100 Ca 0.03 -0.83 -0.02 0.00 -0.15 0.00 0.00 54.97 53.99 2kb3 s GLU 100 Cb -0.13 -0.90 -0.01 0.00 -0.44 0.00 0.00 34.13 32.65 2kb3 s GLU 100 CO 0.02 0.21 -0.09 0.08 0.95 0.00 0.00 175.26 176.43 2kb3 s VAL 101 N -1.01 3.12 -0.17 1.83 1.01 0.59 -0.32 120.40 125.45 2kb3 s VAL 101 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2kb3 s VAL 101 Cb -0.09 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.93 2kb3 s VAL 101 CO 0.02 0.47 -0.19 0.68 0.00 0.00 0.00 175.10 176.08 2kb3 s VAL 102 N 1.04 2.18 0.17 2.92 -7.23 0.40 -1.01 120.40 118.86 2kb3 s VAL 102 Ca -0.00 -0.92 -0.28 0.00 -1.81 0.00 0.00 61.98 58.97 2kb3 s VAL 102 Cb -0.15 -1.90 -0.08 0.00 0.56 0.00 0.00 36.38 34.81 2kb3 s VAL 102 CO -0.01 0.53 0.87 -0.62 -0.31 0.00 0.00 175.10 175.56 2kb3 s ASP 103 N 1.13 7.49 -0.02 4.85 2.15 0.11 -0.08 116.67 132.28 2kb3 s ASP 103 Ca 0.01 1.76 0.03 0.00 0.43 0.00 0.00 52.55 54.78 2kb3 s ASP 103 Cb -0.14 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 39.98 2kb3 s ASP 103 CO -0.08 0.11 0.93 1.33 -0.17 0.00 0.00 175.17 177.29 2kb3 n VAL 104 N 1.95 0.90 0.06 1.11 0.24 0.57 -4.86 118.33 118.30 2kb3 n VAL 104 Ca -0.02 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 2kb3 n VAL 104 Cb 0.48 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 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 -0.54 -0.12 2.93 7.63 0.00 -0.72 -4.81 105.19 109.56 2kb3 n GLY 105 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.16 -5.41 -0.01 1.61 2.88 -1.26 -4.84 113.62 103.42 2kb3 n SER 106 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 2kb3 n SER 106 Cb 0.00 -3.12 -0.11 0.00 -0.75 0.00 0.00 64.21 60.22 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 0.37 0.00 2.46 -0.00 -1.93 -3.33 115.31 112.88 2kb3 h LEU 107 Ca 0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 57.88 57.10 2kb3 h LEU 107 Cb 0.85 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 2kb3 h LEU 107 CO 0.00 1.10 -0.90 -1.13 -0.00 0.00 0.00 178.44 177.51 2kb3 h ASN 108 N -0.32 0.00 0.00 0.17 -0.73 -1.89 -2.32 115.58 110.49 2kb3 h ASN 108 Ca -0.05 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.04 2kb3 h ASN 108 Cb 1.16 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.75 2kb3 h ASN 108 CO 0.08 0.04 0.00 0.61 -0.37 0.00 0.00 177.43 177.79 2kb3 n GLY 109 N 1.23 0.68 3.71 1.57 0.00 -1.25 -3.67 105.19 107.46 2kb3 n GLY 109 Ca 0.01 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 4.88 -0.03 2.61 2.01 -1.26 -0.30 115.64 123.55 2kb3 s THR 110 Ca 0.00 2.00 0.03 0.00 0.31 0.00 0.00 61.69 64.03 2kb3 s THR 110 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.22 2kb3 s THR 110 CO 0.00 0.16 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.68 2kb3 s TYR 111 N 1.03 1.09 -0.08 4.92 2.02 0.10 -2.92 117.35 123.51 2kb3 s TYR 111 Ca 0.50 -0.28 -0.00 0.00 -0.37 0.00 0.00 57.07 56.93 2kb3 s TYR 111 Cb -0.21 -0.76 0.02 0.00 -0.40 0.00 0.00 41.96 40.62 2kb3 s TYR 111 CO 0.27 -0.10 -0.05 0.08 -1.57 0.00 0.00 175.55 174.18 2kb3 s VAL 112 N 0.13 0.70 -1.46 0.71 1.01 0.85 -0.20 120.40 122.14 2kb3 s VAL 112 Ca -0.03 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2kb3 s VAL 112 Cb -0.09 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.57 2kb3 s VAL 112 CO 0.01 0.30 0.86 -3.20 0.00 0.00 0.00 175.10 173.07 2kb3 n ASN 113 N 4.68 -5.69 -0.25 3.32 4.05 0.76 -1.59 115.26 120.55 2kb3 n ASN 113 Ca -0.15 -0.48 -0.03 0.00 0.45 0.00 0.00 54.58 54.37 2kb3 n ASN 113 Cb 0.50 -4.55 -0.01 0.00 1.23 0.00 0.00 39.78 36.95 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2kb3 n ARG 114 N -4.46 -1.25 -4.73 1.20 1.74 -1.25 -4.94 116.66 102.97 2kb3 n ARG 114 Ca -0.03 0.48 -0.32 0.00 -0.77 0.00 0.00 57.85 57.22 2kb3 n ARG 114 Cb 0.57 -4.50 -0.12 0.00 -1.02 0.00 0.00 32.46 27.38 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 -1.76 2.32 0.05 5.56 2.02 -0.62 -4.78 118.70 121.49 2kb3 s GLU 115 Ca 0.00 -0.83 -0.30 0.00 0.02 0.00 0.00 54.97 53.86 2kb3 s GLU 115 Cb 0.00 -2.31 -0.08 0.00 0.10 0.00 0.00 34.13 31.84 2kb3 s GLU 115 CO 0.00 0.58 1.75 -2.14 0.02 0.00 0.00 175.26 175.47 2kb3 s PRO 116 N -1.15 4.17 -0.24 0.39 0.02 -1.26 -0.10 135.00 136.83 2kb3 s PRO 116 Ca 0.14 2.41 -0.19 0.00 0.02 0.00 0.00 61.00 63.37 2kb3 s PRO 116 Cb -0.11 -3.78 0.06 0.00 0.02 0.00 0.00 34.50 30.70 2kb3 s PRO 116 CO 0.04 -0.82 0.62 0.50 -0.33 0.00 0.00 177.00 177.01 2kb3 s ARG 117 N 3.27 0.69 -0.23 5.54 6.06 -1.15 -4.89 118.95 128.25 2kb3 s ARG 117 Ca 0.78 0.93 -0.18 0.00 -2.50 0.00 0.00 55.73 54.77 2kb3 s ARG 117 Cb -0.40 0.27 -0.17 0.00 0.06 0.00 0.00 34.95 34.71 2kb3 s ARG 117 CO 0.34 -0.11 0.01 0.09 -2.50 0.00 0.00 175.30 173.14 2kb3 n ASN 118 N 3.23 1.91 -4.23 -2.12 4.13 -1.26 -4.42 115.26 112.49 2kb3 n ASN 118 Ca -0.16 0.37 -0.31 0.00 1.68 0.00 0.00 54.58 56.16 2kb3 n ASN 118 Cb 0.56 -0.90 -0.16 0.00 -1.54 0.00 0.00 39.78 37.74 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 -2.43 2.04 -0.11 5.41 0.00 -1.26 0.04 121.76 125.45 2kb3 s ALA 119 Ca -0.32 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 50.48 2kb3 s ALA 119 Cb 0.09 -0.67 0.05 0.00 0.00 0.00 0.00 23.12 22.59 2kb3 s ALA 119 CO 0.56 0.36 0.50 -1.14 0.00 0.00 0.00 175.76 176.05 2kb3 s GLN 120 N -0.02 0.73 -0.11 0.00 2.00 -0.18 -5.01 119.66 117.06 2kb3 s GLN 120 Ca -0.07 0.37 -0.28 0.00 -2.00 0.00 0.00 55.36 53.39 2kb3 s GLN 120 Cb -0.14 0.34 -0.02 0.00 0.80 0.00 0.00 33.01 33.99 2kb3 s GLN 120 CO 0.04 -0.16 0.93 0.08 -0.50 0.00 0.00 175.29 175.68 2kb3 s VAL 121 N -0.48 4.84 -0.18 1.34 1.01 -1.26 -0.30 120.40 125.36 2kb3 s VAL 121 Ca -0.06 1.88 -0.12 0.00 0.00 0.00 0.00 61.98 63.68 2kb3 s VAL 121 Cb -0.03 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2kb3 s VAL 121 CO 0.04 0.04 0.20 -0.32 0.00 0.00 0.00 175.10 175.06 2kb3 s MET 122 N 1.90 4.22 0.22 2.72 1.75 0.13 -4.92 119.30 125.30 2kb3 s MET 122 Ca 0.45 -0.09 0.11 0.00 -1.25 0.00 0.00 55.69 54.91 2kb3 s MET 122 Cb -0.18 -3.43 -0.04 0.00 2.84 0.00 0.00 34.83 34.02 2kb3 s MET 122 CO 0.17 0.27 -0.17 -0.65 -0.65 0.00 0.00 175.02 173.99 2kb3 s GLN 123 N 0.43 1.79 0.25 4.11 -0.21 -1.26 -4.08 119.66 120.68 2kb3 s GLN 123 Ca 0.12 -1.50 -0.30 0.00 0.02 0.00 0.00 55.36 53.69 2kb3 s GLN 123 Cb -0.12 -1.95 -0.11 0.00 1.00 0.00 0.00 33.01 31.83 2kb3 s GLN 123 CO 0.01 0.39 1.56 -0.08 -2.12 0.00 0.00 175.29 175.04 2kb3 s THR 124 N -1.94 2.34 0.00 -0.19 -1.32 -1.26 -2.53 115.64 110.73 2kb3 s THR 124 Ca 0.25 0.27 0.00 0.00 -1.21 0.00 0.00 61.69 61.00 2kb3 s THR 124 Cb -0.07 -3.17 0.00 0.00 -1.51 0.00 0.00 72.50 67.74 2kb3 s THR 124 CO 0.14 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.19 2kb3 n GLY 125 N 2.62 0.48 3.88 6.08 0.00 0.14 -0.51 105.19 117.87 2kb3 n GLY 125 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.95 6.56 -0.12 1.61 -1.08 -1.05 -3.69 116.67 115.95 2kb3 s ASP 126 Ca 0.00 1.00 0.03 0.00 -0.52 0.00 0.00 52.55 53.06 2kb3 s ASP 126 Cb 0.00 -2.26 0.01 0.00 -1.46 0.00 0.00 42.92 39.20 2kb3 s ASP 126 CO 0.00 -0.25 -0.22 -1.83 0.52 0.00 0.00 175.17 173.39 2kb3 s GLU 127 N -3.42 2.94 -0.15 4.34 -1.05 -1.26 -0.96 118.70 119.13 2kb3 s GLU 127 Ca 0.49 -0.83 -0.03 0.00 -0.15 0.00 0.00 54.97 54.45 2kb3 s GLU 127 Cb -0.11 -2.31 -0.02 0.00 -0.44 0.00 0.00 34.13 31.25 2kb3 s GLU 127 CO 0.27 0.06 -0.06 0.42 0.95 0.00 0.00 175.26 176.90 2kb3 s ILE 128 N 0.63 3.69 -0.09 1.83 1.09 0.26 -0.17 121.20 128.43 2kb3 s ILE 128 Ca -0.12 -0.43 0.04 0.00 -1.10 0.00 0.00 60.65 59.04 2kb3 s ILE 128 Cb -0.16 -2.61 -0.01 0.00 -1.06 0.00 0.00 42.46 38.62 2kb3 s ILE 128 CO 0.03 0.49 -0.22 -1.58 -0.10 0.00 0.00 174.94 173.56 2kb3 s GLN 129 N 0.44 2.91 -0.42 2.79 0.74 0.72 -0.16 119.66 126.69 2kb3 s GLN 129 Ca -0.05 -0.85 -0.07 0.00 0.05 0.00 0.00 55.36 54.44 2kb3 s GLN 129 Cb -0.15 -2.31 0.09 0.00 1.10 0.00 0.00 33.01 31.74 2kb3 s GLN 129 CO 0.03 0.27 0.24 0.42 -0.55 0.00 0.00 175.29 175.71 2kb3 s ILE 130 N 0.12 3.93 0.00 -2.34 1.09 0.45 -0.72 121.20 123.72 2kb3 s ILE 130 Ca -0.11 -1.60 0.00 0.00 -1.10 0.00 0.00 60.65 57.84 2kb3 s ILE 130 Cb -0.16 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.76 2kb3 s ILE 130 CO 0.06 -0.56 0.00 0.61 -0.10 0.00 0.00 174.94 174.96 2kb3 n GLY 131 N 4.82 1.12 0.00 6.18 0.00 0.58 -1.97 105.19 115.93 2kb3 n GLY 131 Ca -0.08 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.46 -4.41 1.61 2.85 -1.26 -4.88 118.16 112.52 2kb3 n LYS 132 Ca 0.00 -0.78 -0.19 0.00 -1.05 0.00 0.00 58.31 56.28 2kb3 n LYS 132 Cb 0.00 -0.92 -0.14 0.00 -0.65 0.00 0.00 35.03 33.31 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 -0.33 1.00 0.11 5.58 -0.71 -0.83 -4.94 117.98 117.87 2kb3 s PHE 133 Ca 0.00 -0.24 0.09 0.00 -1.04 0.00 0.00 56.93 55.75 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 -0.01 -0.24 -0.98 -1.34 0.00 0.00 175.22 172.65 2kb3 s ARG 134 N -0.53 1.28 -0.02 1.99 1.70 -1.24 -0.41 118.95 121.72 2kb3 s ARG 134 Ca 0.03 -1.23 0.06 0.00 -0.47 0.00 0.00 55.73 54.12 2kb3 s ARG 134 Cb -0.05 -1.64 -0.02 0.00 -0.57 0.00 0.00 34.95 32.66 2kb3 s ARG 134 CO 0.00 0.39 -0.21 -0.51 -1.08 0.00 0.00 175.30 173.89 2kb3 s LEU 135 N -1.92 2.38 -0.13 -1.89 1.02 0.78 -1.13 118.68 117.79 2kb3 s LEU 135 Ca 0.10 -0.37 -0.02 0.00 0.02 0.00 0.00 54.13 53.86 2kb3 s LEU 135 Cb -0.10 -1.44 -0.02 0.00 0.02 0.00 0.00 46.19 44.65 2kb3 s LEU 135 CO 0.05 0.32 -0.08 -0.69 0.02 0.00 0.00 176.35 175.97 2kb3 s VAL 136 N -0.71 3.55 -0.25 -1.59 1.01 0.38 -0.58 120.40 122.22 2kb3 s VAL 136 Ca 0.11 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 2kb3 s VAL 136 Cb -0.10 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2kb3 s VAL 136 CO 0.01 0.52 0.37 0.12 0.00 0.00 0.00 175.10 176.12 2kb3 s PHE 137 N 0.19 3.29 -0.05 5.22 5.36 -0.14 -0.89 117.98 130.96 2kb3 s PHE 137 Ca -0.04 0.47 0.04 0.00 -0.96 0.00 0.00 56.93 56.43 2kb3 s PHE 137 Cb -0.14 -2.55 0.00 0.00 -0.34 0.00 0.00 43.02 39.99 2kb3 s PHE 137 CO 0.04 -0.15 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.98 2kb3 s LEU 138 N 1.79 1.86 0.34 6.12 2.01 0.55 0.23 118.68 131.59 2kb3 s LEU 138 Ca 0.16 -0.36 -0.19 0.00 0.01 0.00 0.00 54.13 53.75 2kb3 s LEU 138 Cb -0.15 -0.97 -0.10 0.00 0.01 0.00 0.00 46.19 44.98 2kb3 s LEU 138 CO 0.09 0.12 0.83 0.00 1.01 0.00 0.00 176.35 178.40 2kb3 s ALA 139 N 0.23 3.23 0.11 4.21 0.00 -1.26 -0.38 121.76 127.90 2kb3 s ALA 139 Ca -0.08 0.23 -0.31 0.00 0.00 0.00 0.00 51.96 51.80 2kb3 s ALA 139 Cb -0.13 -2.95 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 2kb3 s ALA 139 CO 0.03 0.25 1.39 0.20 0.00 0.00 0.00 175.76 177.63 2kb3 s GLY 140 N -2.08 1.96 0.87 0.00 0.00 0.86 -4.87 107.32 104.06 2kb3 s GLY 140 Ca 0.55 1.12 -0.11 0.00 0.00 0.00 0.00 44.72 46.27 2kb3 s GLY 140 CO 0.17 2.35 1.10 2.56 0.00 0.00 0.00 173.10 179.28 2kb3 s PRO 141 N 1.14 1.45 -0.28 2.90 0.04 -1.26 -1.09 135.00 137.89 2kb3 s PRO 141 Ca 0.65 1.07 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 2kb3 s PRO 141 Cb -0.37 -1.81 -0.20 0.00 0.04 0.00 0.00 34.50 32.16 2kb3 s PRO 141 CO 0.30 -2.18 3.12 0.00 0.04 0.00 0.00 177.00 178.28 2kb3 n ALA 142 N -3.88 5.87 0.16 8.56 0.00 -1.26 -4.40 120.51 125.56 2kb3 n ALA 142 Ca 0.08 -1.88 0.02 0.00 0.00 0.00 0.00 53.44 51.67 2kb3 n ALA 142 Cb 0.54 -2.50 0.02 0.00 0.00 0.00 0.00 19.45 17.51 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59