#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 -0.43 -4.94 7.83 2.88 -1.26 -3.65 113.62 114.05 2kb3 n SER 2 Ca 0.00 -1.06 -0.24 0.00 -1.33 0.00 0.00 58.87 56.24 2kb3 n SER 2 Cb 0.00 0.66 0.04 0.00 -0.75 0.00 0.00 64.21 64.16 2kb3 n SER 2 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2kb3 s ASP 3 N -2.10 5.24 0.01 -3.46 1.01 -1.26 -4.77 116.67 111.34 2kb3 s ASP 3 Ca 0.12 0.39 -0.30 0.00 0.71 0.00 0.00 52.55 53.46 2kb3 s ASP 3 Cb -0.00 -1.25 -0.05 0.00 1.01 0.00 0.00 42.92 42.63 2kb3 s ASP 3 CO -0.01 -1.25 1.22 0.54 0.21 0.00 0.00 175.17 175.88 2kb3 s ASN 4 N -4.41 7.05 0.17 0.27 4.22 -1.26 -4.63 114.94 116.36 2kb3 s ASN 4 Ca 0.56 1.95 0.10 0.00 -2.14 0.00 0.00 52.86 53.33 2kb3 s ASN 4 Cb -0.10 -2.57 -0.04 0.00 1.28 0.00 0.00 41.25 39.81 2kb3 s ASN 4 CO 0.42 -0.53 -0.22 0.20 -2.04 0.00 0.00 177.10 174.93 2kb3 s ASN 5 N 1.30 3.05 0.00 3.54 0.01 -1.26 -5.13 114.94 116.45 2kb3 s ASN 5 Ca 0.58 -0.85 0.00 0.00 -0.71 0.00 0.00 52.86 51.88 2kb3 s ASN 5 Cb -0.28 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.18 2kb3 s ASN 5 CO 0.26 0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.52 2kb3 n GLY 6 N 0.36 4.76 3.29 0.66 0.00 -1.26 -5.10 105.19 107.90 2kb3 n GLY 6 Ca -0.14 -1.76 -0.23 0.00 0.00 0.00 0.00 46.02 43.90 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 2.70 1.68 0.65 2.61 -1.32 -1.26 -4.97 115.64 115.73 2kb3 s THR 7 Ca 0.00 -1.63 -0.17 0.00 -1.21 0.00 0.00 61.69 58.68 2kb3 s THR 7 Cb 0.00 -1.60 -0.03 0.00 -1.51 0.00 0.00 72.50 69.37 2kb3 s THR 7 CO 0.00 -0.15 0.95 -2.65 -2.21 0.00 0.00 174.62 170.55 2kb3 n PRO 8 N 0.87 0.72 -2.67 7.08 -0.02 -1.26 -4.93 135.00 134.79 2kb3 n PRO 8 Ca -0.18 0.29 -0.40 0.00 -2.02 0.00 0.00 63.50 61.19 2kb3 n PRO 8 Cb 0.55 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 2kb3 n PRO 8 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kb3 s GLU 9 N -2.99 4.78 0.26 -0.52 2.02 -1.26 -4.93 118.70 116.07 2kb3 s GLU 9 Ca 0.75 1.58 -0.31 0.00 0.02 0.00 0.00 54.97 57.01 2kb3 s GLU 9 Cb -0.38 -3.27 -0.13 0.00 0.10 0.00 0.00 34.13 30.45 2kb3 s GLU 9 CO 0.48 0.40 1.44 -0.35 0.02 0.00 0.00 175.26 177.24 2kb3 n PRO 10 N 1.57 2.18 -4.89 0.39 -0.04 -1.26 -5.03 135.00 127.92 2kb3 n PRO 10 Ca -0.01 0.77 -0.27 0.00 -0.04 0.00 0.00 63.50 63.95 2kb3 n PRO 10 Cb 0.47 -2.45 -0.16 0.00 -0.04 0.00 0.00 33.50 31.31 2kb3 n PRO 10 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2kb3 s GLN 11 N -0.56 2.10 -0.14 0.54 -0.21 -1.26 -5.13 119.66 115.00 2kb3 s GLN 11 Ca 0.66 -0.64 -0.04 0.00 0.02 0.00 0.00 55.36 55.37 2kb3 s GLN 11 Cb -0.61 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 31.64 2kb3 s GLN 11 CO 0.51 0.18 -0.02 0.08 -2.12 0.00 0.00 175.29 173.92 2kb3 s VAL 12 N 0.25 4.10 0.09 1.09 1.01 -1.26 -5.00 120.40 120.68 2kb3 s VAL 12 Ca -0.10 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 2kb3 s VAL 12 Cb -0.14 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.46 2kb3 s VAL 12 CO 0.04 0.52 0.22 -0.70 0.00 0.00 0.00 175.10 175.18 2kb3 s GLU 13 N 0.01 0.88 0.04 2.72 2.56 -1.26 -5.21 118.70 118.44 2kb3 s GLU 13 Ca 0.02 -0.92 -0.00 0.00 0.00 0.00 0.00 54.97 54.06 2kb3 s GLU 13 Cb -0.13 0.36 0.01 0.00 2.00 0.00 0.00 34.13 36.37 2kb3 s GLU 13 CO 0.02 -0.29 0.05 2.41 -0.56 0.00 0.00 175.26 176.90 2kb3 n THR 14 N -0.09 0.00 -3.64 -1.70 -1.04 -1.26 -5.06 114.28 101.50 2kb3 n THR 14 Ca -0.15 -0.06 -0.02 0.00 -2.04 0.00 0.00 64.05 61.78 2kb3 n THR 14 Cb 0.63 -1.68 -0.03 0.00 -1.82 0.00 0.00 70.33 67.43 2kb3 n THR 14 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2kb3 s SER 16 N -1.20 -0.03 -0.37 8.00 1.04 -1.26 -4.99 113.70 114.89 2kb3 s SER 16 Ca 0.03 0.02 -0.28 0.00 0.48 0.00 0.00 55.95 56.20 2kb3 s SER 16 Cb -0.00 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.17 2kb3 s SER 16 CO 0.02 -0.04 1.03 -0.69 0.98 0.00 0.00 173.24 174.55 2kb3 s VAL 17 N -1.58 4.47 -0.33 5.02 1.01 -1.26 -4.54 120.40 123.18 2kb3 s VAL 17 Ca 0.10 1.42 -0.13 0.00 0.00 0.00 0.00 61.98 63.37 2kb3 s VAL 17 Cb -0.01 -4.43 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2kb3 s VAL 17 CO -0.05 -0.62 0.24 0.12 0.00 0.00 0.00 175.10 174.79 2kb3 s PHE 18 N 3.77 3.23 -0.95 5.22 5.36 -1.23 -5.00 117.98 128.37 2kb3 s PHE 18 Ca 0.43 -0.13 -0.23 0.00 -0.96 0.00 0.00 56.93 56.04 2kb3 s PHE 18 Cb -0.11 -2.48 0.05 0.00 -0.34 0.00 0.00 43.02 40.15 2kb3 s PHE 18 CO 0.20 -0.33 1.37 1.03 -1.46 0.00 0.00 175.22 176.04 2kb3 s ARG 19 N 1.76 3.51 0.00 10.12 3.00 -1.26 -4.74 118.95 131.33 2kb3 s ARG 19 Ca 0.07 -1.02 0.00 0.00 0.00 0.00 0.00 55.73 54.78 2kb3 s ARG 19 Cb -0.17 -5.07 0.00 0.00 0.00 0.00 0.00 34.95 29.70 2kb3 s ARG 19 CO 0.11 -2.15 0.00 0.00 0.00 0.00 0.00 175.30 173.26 2kb3 n ALA 20 N 8.72 0.00 0.18 2.13 0.00 -1.26 -4.92 120.51 125.35 2kb3 n ALA 20 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.72 2kb3 n ALA 20 Cb 0.50 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.06 2kb3 n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kb3 n ASP 21 N -2.52 0.00 0.28 0.00 9.92 -1.26 -1.40 116.55 121.57 2kb3 n ASP 21 Ca 0.00 0.48 0.18 0.00 -0.53 0.00 0.00 54.79 54.92 2kb3 n ASP 21 Cb 0.00 -0.49 0.86 0.00 -0.64 0.00 0.00 41.12 40.85 2kb3 n ASP 21 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2kb3 h LEU 22 N 0.00 0.00 -0.65 0.64 3.38 -1.92 -2.36 115.31 114.40 2kb3 h LEU 22 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2kb3 h LEU 22 Cb 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2kb3 h LEU 22 CO 0.00 0.00 0.41 0.25 0.09 0.00 0.00 178.44 179.19 2kb3 h LEU 23 N 0.00 0.70 0.00 1.67 7.12 -1.59 0.19 115.31 123.40 2kb3 h LEU 23 Ca 0.00 -0.01 -0.20 0.00 0.13 0.00 0.00 57.88 57.80 2kb3 h LEU 23 Cb 0.28 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.22 2kb3 h LEU 23 CO 0.00 0.49 -0.96 0.50 -0.13 0.00 0.00 178.44 178.34 2kb3 h LYS 24 N 0.83 0.00 -0.19 1.25 3.11 -1.67 -3.26 116.57 116.64 2kb3 h LYS 24 Ca 0.25 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.99 2kb3 h LYS 24 Cb -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.19 2kb3 h LYS 24 CO -0.08 0.91 -0.34 1.49 -2.81 0.00 0.00 179.45 178.62 2kb3 h GLU 25 N 0.00 0.39 0.00 1.90 4.57 -0.95 -1.58 114.58 118.92 2kb3 h GLU 25 Ca -0.02 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 2kb3 h GLU 25 Cb 1.73 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 30.30 2kb3 h GLU 25 CO 0.12 0.69 -0.04 0.00 -1.18 0.00 0.00 179.01 178.59 2kb3 h MET 26 N 0.34 0.00 -0.04 1.92 -0.00 -0.70 -0.43 114.93 116.01 2kb3 h MET 26 Ca 0.04 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.56 2kb3 h MET 26 Cb 0.76 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.35 2kb3 h MET 26 CO 0.06 0.04 -0.75 0.93 -0.00 0.00 0.00 176.91 177.19 2kb3 h GLU 27 N 0.00 0.28 0.00 -0.10 5.08 -1.39 -2.93 114.58 115.51 2kb3 h GLU 27 Ca -0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2kb3 h GLU 27 Cb 0.46 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2kb3 h GLU 27 CO 0.01 0.91 0.00 0.43 -1.00 0.00 0.00 179.01 179.35 2kb3 n SER 28 N -3.78 0.80 0.23 1.42 7.64 -0.32 -2.90 113.62 116.71 2kb3 n SER 28 Ca -0.04 0.58 0.10 0.00 1.01 0.00 0.00 58.87 60.52 2kb3 n SER 28 Cb 0.72 -0.79 0.56 0.00 -1.01 0.00 0.00 64.21 63.70 2kb3 n SER 28 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2kb3 h SER 29 N 0.00 0.00 -1.91 6.43 0.87 -0.96 -3.18 113.55 114.80 2kb3 h SER 29 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2kb3 h SER 29 Cb 0.73 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.61 2kb3 h SER 29 CO 0.00 0.21 1.19 -0.89 -0.53 0.00 0.00 176.83 176.81 2kb3 s THR 30 N -4.02 3.70 0.00 2.23 2.01 -1.14 -3.35 115.64 115.06 2kb3 s THR 30 Ca -0.02 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2kb3 s THR 30 Cb 0.12 -4.76 0.00 0.00 0.01 0.00 0.00 72.50 67.88 2kb3 s THR 30 CO 0.63 -1.69 0.00 0.61 -0.69 0.00 0.00 174.62 173.48 2kb3 n GLY 31 N 5.87 0.87 3.88 4.40 0.00 -1.26 -5.05 105.19 113.90 2kb3 n GLY 31 Ca 0.15 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.93 5.03 -0.44 2.61 -1.32 -1.20 -5.00 115.64 112.38 2kb3 s THR 32 Ca 0.00 0.29 -0.08 0.00 -1.21 0.00 0.00 61.69 60.69 2kb3 s THR 32 Cb 0.00 -3.62 0.11 0.00 -1.51 0.00 0.00 72.50 67.48 2kb3 s THR 32 CO 0.00 -0.02 0.29 0.00 -2.21 0.00 0.00 174.62 172.68 2kb3 s ALA 33 N -1.75 3.31 0.34 11.08 0.00 -1.26 -5.08 121.76 128.41 2kb3 s ALA 33 Ca 0.45 -2.44 -0.26 0.00 0.00 0.00 0.00 51.96 49.70 2kb3 s ALA 33 Cb -0.12 -2.69 -0.09 0.00 0.00 0.00 0.00 23.12 20.22 2kb3 s ALA 33 CO 0.23 -1.82 1.05 -1.25 0.00 0.00 0.00 175.76 173.96 2kb3 s PRO 34 N 1.33 4.41 0.88 0.00 0.04 -1.26 -4.98 135.00 135.41 2kb3 s PRO 34 Ca 0.05 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 2kb3 s PRO 34 Cb -0.25 -2.82 0.12 0.00 0.04 0.00 0.00 34.50 31.59 2kb3 s PRO 34 CO -0.01 0.06 1.11 0.00 0.04 0.00 0.00 177.00 178.20 2kb3 s ALA 35 N -1.46 1.79 -0.09 8.56 0.00 -1.26 -4.95 121.76 124.35 2kb3 s ALA 35 Ca 0.52 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 2kb3 s ALA 35 Cb -0.25 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 2kb3 s ALA 35 CO 0.32 -2.16 1.64 -1.12 0.00 0.00 0.00 175.76 174.44 2kb3 s SER 36 N -3.77 6.60 0.00 0.00 0.01 -1.26 -4.89 113.70 110.40 2kb3 s SER 36 Ca 0.63 2.09 0.00 0.00 1.31 0.00 0.00 55.95 59.97 2kb3 s SER 36 Cb -0.16 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2kb3 s SER 36 CO 0.55 -1.00 0.00 0.35 0.41 0.00 0.00 173.24 173.55 2kb3 n THR 37 N 5.70 0.00 0.00 1.44 -2.24 -1.26 -4.28 114.28 113.64 2kb3 n THR 37 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2kb3 n THR 37 Cb 0.43 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 5.00 -0.28 0.09 3.38 0.00 -1.24 -4.93 105.19 107.21 2kb3 n GLY 38 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 46.02 46.24 2kb3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 n ALA 39 N 0.00 2.08 0.90 4.61 0.00 -1.26 -4.35 120.51 122.49 2kb3 n ALA 39 Ca 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 53.44 52.97 2kb3 n ALA 39 Cb 0.00 -0.92 0.40 0.00 0.00 0.00 0.00 19.45 18.94 2kb3 n ALA 39 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kb3 n GLU 40 N -2.79 0.45 0.04 0.00 0.28 -1.26 -1.22 120.64 116.15 2kb3 n GLU 40 Ca -0.09 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.70 2kb3 n GLU 40 Cb 0.79 -1.47 -0.14 0.00 1.43 0.00 0.00 31.44 32.04 2kb3 n GLU 40 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2kb3 h ASN 41 N 0.00 0.49 -5.72 -1.84 -1.24 -2.03 -3.50 115.58 101.75 2kb3 h ASN 41 Ca 0.00 -0.86 -0.13 0.00 0.71 0.00 0.00 56.30 56.02 2kb3 h ASN 41 Cb 0.00 -0.16 0.01 0.00 0.73 0.00 0.00 38.32 38.90 2kb3 h ASN 41 CO 0.00 1.74 -0.76 0.18 -1.29 0.00 0.00 177.43 177.30 2kb3 n LEU 42 N -3.51 -6.10 0.05 0.34 4.77 -0.36 -4.97 117.00 107.22 2kb3 n LEU 42 Ca -0.26 0.32 -0.05 0.00 -0.03 0.00 0.00 56.01 56.00 2kb3 n LEU 42 Cb 1.06 -2.79 -0.03 0.00 -2.33 0.00 0.00 43.42 39.34 2kb3 n LEU 42 CO 0.48 -1.59 0.50 1.55 -1.33 0.00 0.00 177.39 177.00 2kb3 h PRO 43 N 2.07 -0.22 0.00 3.23 0.13 -1.86 -3.39 132.00 131.96 2kb3 h PRO 43 Ca -0.19 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2kb3 h PRO 43 Cb 1.12 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kb3 h PRO 43 CO 0.21 -0.15 0.00 0.00 -0.23 0.00 0.00 178.00 177.83 2kb3 n ALA 44 N -2.50 1.06 -0.72 -0.56 0.00 -1.15 -5.00 120.51 111.65 2kb3 n ALA 44 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2kb3 n ALA 44 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 0.04 0.71 3.27 0.00 0.00 -1.26 -4.88 105.19 103.07 2kb3 n GLY 45 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2kb3 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 s SER 46 N -2.30 2.08 0.08 1.61 0.01 -1.26 -4.83 113.70 109.08 2kb3 s SER 46 Ca 0.00 -0.95 -0.15 0.00 1.31 0.00 0.00 55.95 56.16 2kb3 s SER 46 Cb 0.00 -0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.19 2kb3 s SER 46 CO 0.00 -0.22 0.37 0.00 0.41 0.00 0.00 173.24 173.79 2kb3 s ALA 47 N -2.83 -0.84 -0.02 1.44 0.00 -1.25 -2.85 121.76 115.41 2kb3 s ALA 47 Ca 0.16 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.20 2kb3 s ALA 47 Cb -0.01 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 2kb3 s ALA 47 CO 0.03 -0.53 -0.22 -0.48 0.00 0.00 0.00 175.76 174.55 2kb3 s LEU 48 N -2.44 2.04 -0.08 0.00 -0.00 0.10 0.04 118.68 118.34 2kb3 s LEU 48 Ca -0.01 -0.41 0.01 0.00 -0.00 0.00 0.00 54.13 53.73 2kb3 s LEU 48 Cb 0.01 -1.16 -0.03 0.00 -0.00 0.00 0.00 46.19 45.01 2kb3 s LEU 48 CO -0.07 0.28 -0.11 -1.48 -0.00 0.00 0.00 176.35 174.97 2kb3 s LEU 49 N -0.52 2.93 -0.04 1.48 0.05 0.21 -0.71 118.68 122.07 2kb3 s LEU 49 Ca 0.09 -0.15 0.02 0.00 0.05 0.00 0.00 54.13 54.13 2kb3 s LEU 49 Cb -0.09 -1.63 0.01 0.00 -2.05 0.00 0.00 46.19 42.43 2kb3 s LEU 49 CO -0.01 0.30 -0.09 0.54 -0.55 0.00 0.00 176.35 176.55 2kb3 s VAL 50 N -0.47 0.83 -0.27 1.48 0.11 -0.46 -0.31 120.40 121.31 2kb3 s VAL 50 Ca 0.06 -0.35 -0.29 0.00 -2.93 0.00 0.00 61.98 58.48 2kb3 s VAL 50 Cb -0.12 -0.76 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 2kb3 s VAL 50 CO 0.02 0.27 1.14 -0.69 -3.33 0.00 0.00 175.10 172.51 2kb3 s VAL 51 N 0.43 4.45 -0.01 2.04 1.01 -0.35 -0.45 120.40 127.51 2kb3 s VAL 51 Ca -0.07 1.70 0.02 0.00 0.00 0.00 0.00 61.98 63.63 2kb3 s VAL 51 Cb -0.11 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 31.73 2kb3 s VAL 51 CO 0.01 -0.36 0.78 0.50 0.00 0.00 0.00 175.10 176.03 2kb3 h LYS 52 N 8.17 0.15 -2.46 2.72 1.63 -1.10 -2.99 116.57 122.69 2kb3 h LYS 52 Ca -0.22 -0.25 -0.09 0.00 -0.85 0.00 0.00 60.65 59.23 2kb3 h LYS 52 Cb 1.07 0.09 -0.23 0.00 -0.60 0.00 0.00 32.23 32.57 2kb3 h LYS 52 CO 1.01 0.93 -0.10 0.50 -3.45 0.00 0.00 179.45 178.34 2kb3 s ARG 53 N -2.61 0.61 0.00 1.90 6.06 -1.11 -4.85 118.95 118.95 2kb3 s ARG 53 Ca -0.08 0.74 0.00 0.00 -2.50 0.00 0.00 55.73 53.89 2kb3 s ARG 53 Cb 0.07 0.29 0.00 0.00 0.06 0.00 0.00 34.95 35.38 2kb3 s ARG 53 CO 0.83 -0.08 0.00 0.41 -2.50 0.00 0.00 175.30 173.96 2kb3 n GLY 54 N 2.84 0.63 0.23 8.12 0.00 -1.26 -1.63 105.19 114.12 2kb3 n GLY 54 Ca -0.14 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 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 5.57 0.67 -0.72 1.61 0.11 -1.98 -2.83 132.00 134.43 2kb3 h PRO 55 Ca 0.00 -0.36 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2kb3 h PRO 55 Cb 0.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2kb3 h PRO 55 CO 0.00 0.97 0.00 0.27 -0.21 0.00 0.00 178.00 179.03 2kb3 n ASN 56 N -4.02 3.36 -4.77 -2.05 0.23 -1.26 -4.93 115.26 101.82 2kb3 n ASN 56 Ca -0.02 -2.43 -0.38 0.00 -0.53 0.00 0.00 54.58 51.22 2kb3 n ASN 56 Cb 0.55 -0.55 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kb3 s ALA 57 N -1.88 3.05 0.00 -2.53 0.00 -1.07 -3.20 121.76 116.13 2kb3 s ALA 57 Ca 0.29 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2kb3 s ALA 57 Cb 0.21 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2kb3 s ALA 57 CO 0.10 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2kb3 n GLY 58 N 0.55 1.75 3.76 0.00 0.00 -1.13 -4.97 105.19 105.16 2kb3 n GLY 58 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.29 3.45 -0.01 4.61 0.00 -1.19 -4.95 121.76 121.38 2kb3 s ALA 59 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.09 2kb3 s ALA 59 Cb 0.00 -2.82 -0.00 0.00 0.00 0.00 0.00 23.12 20.30 2kb3 s ALA 59 CO 0.00 0.14 -0.06 -0.98 0.00 0.00 0.00 175.76 174.85 2kb3 s ARG 60 N -0.15 0.55 -0.08 0.00 1.70 -1.26 -1.22 118.95 118.49 2kb3 s ARG 60 Ca 0.33 -0.22 -0.00 0.00 -0.47 0.00 0.00 55.73 55.37 2kb3 s ARG 60 Cb -0.19 -0.53 0.02 0.00 -0.57 0.00 0.00 34.95 33.68 2kb3 s ARG 60 CO 0.19 0.12 -0.05 -0.06 -1.08 0.00 0.00 175.30 174.42 2kb3 s PHE 61 N -0.07 1.08 -0.34 5.89 0.08 0.58 -4.97 117.98 120.22 2kb3 s PHE 61 Ca 0.01 -0.43 -0.21 0.00 0.12 0.00 0.00 56.93 56.42 2kb3 s PHE 61 Cb -0.03 -0.97 0.00 0.00 -0.57 0.00 0.00 43.02 41.45 2kb3 s PHE 61 CO -0.00 -0.36 0.68 -1.17 -0.10 0.00 0.00 175.22 174.26 2kb3 s LEU 62 N 1.50 4.19 -0.53 -0.37 2.96 -1.26 -0.62 118.68 124.54 2kb3 s LEU 62 Ca -0.01 0.29 -0.25 0.00 -0.22 0.00 0.00 54.13 53.95 2kb3 s LEU 62 Cb -0.13 -2.87 0.04 0.00 0.50 0.00 0.00 46.19 43.73 2kb3 s LEU 62 CO -0.04 -0.60 0.99 -0.76 -1.32 0.00 0.00 176.35 174.61 2kb3 s LEU 63 N 2.79 3.96 -0.12 -0.68 2.01 0.11 -4.78 118.68 121.96 2kb3 s LEU 63 Ca 0.27 -0.15 0.17 0.00 0.01 0.00 0.00 54.13 54.43 2kb3 s LEU 63 Cb -0.14 -2.98 0.66 0.00 0.01 0.00 0.00 46.19 43.74 2kb3 s LEU 63 CO 0.14 -1.23 1.58 -0.90 1.01 0.00 0.00 176.35 176.95 2kb3 n ASP 64 N 7.58 4.54 -4.68 2.29 5.68 -1.26 -3.84 116.55 126.85 2kb3 n ASP 64 Ca 0.04 -2.51 -0.34 0.00 -0.50 0.00 0.00 54.79 51.48 2kb3 n ASP 64 Cb 0.48 -0.55 -0.09 0.00 -1.14 0.00 0.00 41.12 39.82 2kb3 n ASP 64 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2kb3 s GLN 65 N -1.94 2.91 0.17 0.11 -0.21 -1.26 -4.96 119.66 114.47 2kb3 s GLN 65 Ca 0.47 -0.49 0.22 0.00 0.02 0.00 0.00 55.36 55.59 2kb3 s GLN 65 Cb 0.32 -2.74 0.88 0.00 1.00 0.00 0.00 33.01 32.47 2kb3 s GLN 65 CO 0.21 0.67 1.67 -2.30 -2.12 0.00 0.00 175.29 173.43 2kb3 n PRO 66 N 1.85 0.14 -3.69 2.91 -0.02 -1.26 -4.65 135.00 130.28 2kb3 n PRO 66 Ca -0.17 0.32 -0.11 0.00 -2.02 0.00 0.00 63.50 61.52 2kb3 n PRO 66 Cb 0.53 -1.74 -0.12 0.00 -0.02 0.00 0.00 33.50 32.15 2kb3 n PRO 66 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2kb3 s THR 67 N -3.18 -0.26 -0.01 3.45 2.01 -1.26 -0.39 115.64 116.00 2kb3 s THR 67 Ca 0.06 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.27 2kb3 s THR 67 Cb 0.10 -0.52 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 2kb3 s THR 67 CO 0.40 0.07 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.40 2kb3 s THR 68 N 1.88 0.87 -0.01 -0.82 2.01 0.75 -5.01 115.64 115.30 2kb3 s THR 68 Ca -0.05 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.51 2kb3 s THR 68 Cb -0.11 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.67 2kb3 s THR 68 CO -0.11 0.25 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.09 2kb3 s THR 69 N -0.21 0.76 0.02 -0.82 2.01 -1.26 0.17 115.64 116.31 2kb3 s THR 69 Ca 0.03 -0.40 0.07 0.00 0.31 0.00 0.00 61.69 61.71 2kb3 s THR 69 Cb -0.05 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 2kb3 s THR 69 CO -0.00 0.22 -0.21 0.00 -0.69 0.00 0.00 174.62 173.94 2kb3 s ALA 70 N -0.13 2.44 0.00 7.40 0.00 0.10 -0.38 121.76 131.20 2kb3 s ALA 70 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2kb3 s ALA 70 Cb -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2kb3 s ALA 70 CO -0.00 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.72 2kb3 n GLY 71 N 1.86 1.33 3.86 0.00 0.00 -0.98 -0.04 105.19 111.22 2kb3 n GLY 71 Ca -0.16 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2kb3 n GLY 71 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kb3 s ARG 72 N 2.88 3.86 0.39 1.61 1.70 -0.65 -2.88 118.95 125.86 2kb3 s ARG 72 Ca 0.00 0.34 0.00 0.00 -0.47 0.00 0.00 55.73 55.60 2kb3 s ARG 72 Cb 0.00 -2.77 0.00 0.00 -0.57 0.00 0.00 34.95 31.61 2kb3 s ARG 72 CO 0.00 0.39 0.00 0.72 -1.08 0.00 0.00 175.30 175.33 2kb3 n HIS 73 N 0.26 -2.99 1.32 5.89 8.25 -1.26 -3.25 115.22 123.43 2kb3 n HIS 73 Ca -0.02 1.57 0.04 0.00 -0.26 0.00 0.00 57.72 59.05 2kb3 n HIS 73 Cb 0.52 -2.72 0.21 0.00 1.12 0.00 0.00 29.99 29.12 2kb3 n HIS 73 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2kb3 n PRO 74 N -3.94 0.66 0.00 -0.41 -0.02 -1.26 -2.56 135.00 127.47 2kb3 n PRO 74 Ca -0.03 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.32 2kb3 n PRO 74 Cb 0.54 -1.17 -0.01 0.00 -0.02 0.00 0.00 33.50 32.84 2kb3 n PRO 74 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kb3 h GLU 75 N 0.00 0.62 -7.15 -0.52 5.08 -1.97 -3.43 114.58 107.22 2kb3 h GLU 75 Ca 0.00 -0.48 -0.47 0.00 -1.00 0.00 0.00 59.36 57.41 2kb3 h GLU 75 Cb 0.00 0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2kb3 h GLU 75 CO 0.00 1.10 0.37 -1.12 -1.00 0.00 0.00 179.01 178.36 2kb3 s SER 76 N -7.02 6.57 0.17 1.42 0.01 -1.06 -4.97 113.70 108.82 2kb3 s SER 76 Ca -0.08 1.67 -0.11 0.00 1.31 0.00 0.00 55.95 58.74 2kb3 s SER 76 Cb 0.10 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.87 2kb3 s SER 76 CO 0.87 -0.62 1.68 -0.78 0.41 0.00 0.00 173.24 174.80 2kb3 h ASP 77 N 1.19 0.90 -3.36 2.44 3.58 -1.70 -3.40 116.42 116.07 2kb3 h ASP 77 Ca -0.48 -0.24 -0.64 0.00 0.42 0.00 0.00 57.03 56.09 2kb3 h ASP 77 Cb 1.19 -0.24 -0.24 0.00 1.72 0.00 0.00 39.33 41.77 2kb3 h ASP 77 CO 0.61 0.90 -0.69 -0.63 -2.88 0.00 0.00 179.24 176.55 2kb3 s ILE 78 N -5.29 3.72 -0.09 2.25 -1.09 0.49 -4.95 121.20 116.24 2kb3 s ILE 78 Ca -0.12 -0.41 -0.22 0.00 -2.23 0.00 0.00 60.65 57.67 2kb3 s ILE 78 Cb 0.13 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 38.32 2kb3 s ILE 78 CO 0.82 0.47 0.62 0.12 -1.23 0.00 0.00 174.94 175.74 2kb3 s PHE 79 N 0.72 3.54 -0.01 3.97 5.36 -1.26 -2.31 117.98 127.99 2kb3 s PHE 79 Ca -0.02 1.12 0.06 0.00 -0.96 0.00 0.00 56.93 57.12 2kb3 s PHE 79 Cb -0.15 -2.72 -0.01 0.00 -0.34 0.00 0.00 43.02 39.80 2kb3 s PHE 79 CO 0.02 0.10 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.18 2kb3 s LEU 80 N 0.81 2.04 -0.16 6.12 1.43 -1.14 -4.97 118.68 122.81 2kb3 s LEU 80 Ca 0.33 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2kb3 s LEU 80 Cb -0.17 -0.95 0.03 0.00 0.03 0.00 0.00 46.19 45.13 2kb3 s LEU 80 CO 0.15 0.22 -0.12 -0.62 0.23 0.00 0.00 176.35 176.22 2kb3 s ASP 81 N -0.48 2.80 0.20 2.29 2.15 -1.26 -4.53 116.67 117.83 2kb3 s ASP 81 Ca 0.07 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.49 2kb3 s ASP 81 Cb -0.07 -1.13 -0.00 0.00 -0.30 0.00 0.00 42.92 41.42 2kb3 s ASP 81 CO -0.01 -0.09 0.25 -0.67 -0.17 0.00 0.00 175.17 174.48 2kb3 n ASP 82 N 4.78 -0.67 0.04 -0.34 -0.08 -1.26 -4.23 116.55 114.78 2kb3 n ASP 82 Ca -0.16 -2.12 -0.07 0.00 -1.51 0.00 0.00 54.79 50.93 2kb3 n ASP 82 Cb 0.49 1.31 0.09 0.00 2.34 0.00 0.00 41.12 45.35 2kb3 n ASP 82 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2kb3 h VAL 83 N 1.58 1.34 -2.44 5.18 2.07 -2.03 -3.41 116.25 118.55 2kb3 h VAL 83 Ca -0.15 -1.83 -0.20 0.00 0.82 0.00 0.00 66.70 65.34 2kb3 h VAL 83 Cb 0.67 1.83 -0.32 0.00 -1.52 0.00 0.00 31.29 31.96 2kb3 h VAL 83 CO 0.20 0.56 -0.51 -0.89 0.02 0.00 0.00 177.57 176.95 2kb3 s THR 84 N -3.94 -0.49 0.12 2.57 2.01 -1.26 -5.16 115.64 109.50 2kb3 s THR 84 Ca -0.06 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.04 2kb3 s THR 84 Cb 0.12 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 2kb3 s THR 84 CO 0.82 -0.04 0.15 -0.69 -0.69 0.00 0.00 174.62 174.18 2kb3 s VAL 85 N 2.47 4.76 0.58 3.82 1.01 -1.26 -4.63 120.40 127.15 2kb3 s VAL 85 Ca 0.06 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 2kb3 s VAL 85 Cb -0.14 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2kb3 s VAL 85 CO -0.12 0.00 1.08 -0.44 0.00 0.00 0.00 175.10 175.62 2kb3 s SER 86 N -2.81 5.74 0.35 3.32 0.01 -1.26 -4.81 113.70 114.23 2kb3 s SER 86 Ca 0.31 1.94 0.13 0.00 1.31 0.00 0.00 55.95 59.65 2kb3 s SER 86 Cb -0.11 -2.55 0.65 0.00 0.21 0.00 0.00 66.02 64.22 2kb3 s SER 86 CO 0.24 -1.20 1.77 0.08 0.41 0.00 0.00 173.24 174.54 2kb3 h ARG 87 N 0.69 0.00 -2.74 12.44 -0.00 -1.94 -1.72 114.38 121.12 2kb3 h ARG 87 Ca -0.48 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.33 2kb3 h ARG 87 Cb 1.23 0.00 -0.31 0.00 -0.00 0.00 0.00 29.97 30.90 2kb3 h ARG 87 CO 0.57 0.43 -0.47 1.03 -0.00 0.00 0.00 179.97 181.53 2kb3 s ARG 88 N -3.96 0.21 -0.25 0.08 0.52 -1.26 -4.29 118.95 110.00 2kb3 s ARG 88 Ca -0.02 0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 55.89 2kb3 s ARG 88 Cb 0.13 0.10 -0.11 0.00 0.52 0.00 0.00 34.95 35.60 2kb3 s ARG 88 CO 0.72 -0.27 -0.34 1.58 0.02 0.00 0.00 175.30 177.01 2kb3 n HIS 89 N 5.35 0.03 -3.71 -0.53 -0.00 0.94 -2.60 115.22 114.69 2kb3 n HIS 89 Ca -0.07 0.01 -0.14 0.00 0.46 0.00 0.00 57.72 57.98 2kb3 n HIS 89 Cb 0.50 -0.87 -0.09 0.00 -0.12 0.00 0.00 29.99 29.41 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 -1.03 -0.11 1.57 0.00 -1.06 -0.68 121.76 117.83 2kb3 s ALA 90 Ca -0.36 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.42 2kb3 s ALA 90 Cb 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 2kb3 s ALA 90 CO 0.47 -0.26 -0.21 -1.83 0.00 0.00 0.00 175.76 173.94 2kb3 s GLU 91 N -0.77 3.14 -0.33 0.00 -1.05 0.67 -0.72 118.70 119.64 2kb3 s GLU 91 Ca -0.08 -0.82 -0.10 0.00 -0.15 0.00 0.00 54.97 53.82 2kb3 s GLU 91 Cb -0.04 -2.40 0.01 0.00 -0.44 0.00 0.00 34.13 31.27 2kb3 s GLU 91 CO 0.04 0.18 0.16 -0.06 0.95 0.00 0.00 175.26 176.53 2kb3 s PHE 92 N 0.37 3.20 -0.15 4.83 0.40 0.13 -0.38 117.98 126.38 2kb3 s PHE 92 Ca -0.16 -0.83 -0.00 0.00 -0.60 0.00 0.00 56.93 55.34 2kb3 s PHE 92 Cb -0.17 -2.37 -0.01 0.00 0.51 0.00 0.00 43.02 40.98 2kb3 s PHE 92 CO 0.08 -0.56 -0.14 1.03 0.70 0.00 0.00 175.22 176.32 2kb3 s ARG 93 N 1.56 3.29 -0.35 0.44 0.52 0.11 -0.18 118.95 124.35 2kb3 s ARG 93 Ca 0.03 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.41 2kb3 s ARG 93 Cb -0.18 -2.64 0.01 0.00 0.52 0.00 0.00 34.95 32.66 2kb3 s ARG 93 CO 0.06 0.10 0.19 0.42 0.02 0.00 0.00 175.30 176.09 2kb3 s ILE 94 N 0.63 4.70 -0.14 1.52 1.09 0.48 -0.18 121.20 129.29 2kb3 s ILE 94 Ca -0.08 -0.60 0.02 0.00 -1.10 0.00 0.00 60.65 58.90 2kb3 s ILE 94 Cb -0.16 -3.51 0.01 0.00 -1.06 0.00 0.00 42.46 37.75 2kb3 s ILE 94 CO 0.03 -0.09 -0.21 0.54 -0.10 0.00 0.00 174.94 175.10 2kb3 s ASN 95 N 1.60 3.16 -1.33 3.58 4.22 0.46 -4.68 114.94 121.95 2kb3 s ASN 95 Ca 0.04 -0.59 -0.07 0.00 -2.14 0.00 0.00 52.86 50.09 2kb3 s ASN 95 Cb -0.18 -1.46 0.05 0.00 1.28 0.00 0.00 41.25 40.94 2kb3 s ASN 95 CO 0.07 0.08 0.48 -0.62 -2.04 0.00 0.00 177.10 175.07 2kb3 n GLU 96 N 4.07 -3.68 -0.83 3.55 4.71 -1.26 -0.05 120.64 127.14 2kb3 n GLU 96 Ca -0.20 0.60 0.00 0.00 -0.01 0.00 0.00 57.16 57.55 2kb3 n GLU 96 Cb 0.52 -5.33 0.00 0.00 -1.01 0.00 0.00 31.44 25.61 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kb3 n GLY 97 N -1.23 0.94 3.85 0.62 0.00 -1.24 -1.63 105.19 106.50 2kb3 n GLY 97 Ca -0.05 0.00 -0.30 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 -0.16 3.15 -0.25 1.61 2.02 0.93 -4.70 118.70 121.29 2kb3 s GLU 98 Ca 0.00 -0.59 -0.05 0.00 0.02 0.00 0.00 54.97 54.35 2kb3 s GLU 98 Cb 0.00 -2.87 -0.00 0.00 0.10 0.00 0.00 34.13 31.36 2kb3 s GLU 98 CO 0.00 0.58 0.02 -0.06 0.02 0.00 0.00 175.26 175.81 2kb3 s PHE 99 N -1.48 3.06 -0.03 1.61 0.08 -1.26 -0.40 117.98 119.56 2kb3 s PHE 99 Ca 0.32 -0.94 0.03 0.00 0.12 0.00 0.00 56.93 56.46 2kb3 s PHE 99 Cb -0.12 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 2kb3 s PHE 99 CO 0.25 -0.55 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.51 2kb3 s GLU 100 N 1.49 2.54 -0.13 0.44 2.02 0.74 -0.76 118.70 125.04 2kb3 s GLU 100 Ca 0.04 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.36 2kb3 s GLU 100 Cb -0.16 -2.46 0.02 0.00 0.10 0.00 0.00 34.13 31.63 2kb3 s GLU 100 CO -0.00 0.62 -0.17 0.08 0.02 0.00 0.00 175.26 175.80 2kb3 s VAL 101 N -0.85 1.74 -0.11 2.63 1.01 0.10 0.06 120.40 124.97 2kb3 s VAL 101 Ca 0.14 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2kb3 s VAL 101 Cb -0.11 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 2kb3 s VAL 101 CO 0.03 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 2kb3 s VAL 102 N 1.07 2.36 0.05 2.92 1.01 0.49 -0.44 120.40 127.85 2kb3 s VAL 102 Ca -0.03 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 2kb3 s VAL 102 Cb -0.14 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2kb3 s VAL 102 CO -0.05 0.55 1.11 -0.62 0.00 0.00 0.00 175.10 176.09 2kb3 s ASP 103 N 0.34 7.20 -0.01 3.32 -1.08 0.17 -0.24 116.67 126.36 2kb3 s ASP 103 Ca -0.16 1.89 0.02 0.00 -0.52 0.00 0.00 52.55 53.78 2kb3 s ASP 103 Cb -0.17 -2.58 0.03 0.00 -1.46 0.00 0.00 42.92 38.74 2kb3 s ASP 103 CO 0.08 -0.37 0.80 1.33 0.52 0.00 0.00 175.17 177.52 2kb3 n VAL 104 N 3.81 0.48 -3.03 1.11 0.24 -0.14 -4.92 118.33 115.89 2kb3 n VAL 104 Ca 0.07 -0.53 -0.09 0.00 -2.04 0.00 0.00 64.34 61.76 2kb3 n VAL 104 Cb 0.48 0.64 -0.02 0.00 -1.47 0.00 0.00 33.84 33.46 2kb3 n VAL 104 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kb3 s GLY 105 N -0.77 -0.66 -0.02 7.63 0.00 0.14 -4.59 107.32 109.06 2kb3 s GLY 105 Ca 0.04 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.02 2kb3 s GLY 105 CO 0.00 3.26 0.83 1.44 0.00 0.00 0.00 173.10 178.64 2kb3 n SER 106 N 3.34 1.09 0.02 1.64 7.64 -1.26 -2.15 113.62 123.93 2kb3 n SER 106 Ca 0.18 -2.06 -0.13 0.00 1.01 0.00 0.00 58.87 57.87 2kb3 n SER 106 Cb 0.53 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 63.32 2kb3 n SER 106 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kb3 h LEU 107 N 0.50 -0.04 0.00 -3.43 7.12 -1.91 -3.31 115.31 114.25 2kb3 h LEU 107 Ca 0.00 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.67 2kb3 h LEU 107 Cb 0.43 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 2kb3 h LEU 107 CO 0.03 0.33 -1.76 -3.20 -0.13 0.00 0.00 178.44 173.71 2kb3 n ASN 108 N -4.94 1.11 -0.43 1.25 2.85 -1.23 -3.53 115.26 110.34 2kb3 n ASN 108 Ca -0.08 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 2kb3 n ASN 108 Cb 0.20 1.77 0.00 0.00 1.24 0.00 0.00 39.78 42.99 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kb3 n GLY 109 N 1.53 -2.63 3.70 8.20 0.00 -0.91 -3.68 105.19 111.41 2kb3 n GLY 109 Ca -0.03 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 2kb3 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 110 N 0.00 5.04 0.01 2.61 2.01 -1.26 -4.08 115.64 119.97 2kb3 s THR 110 Ca 0.00 1.37 0.05 0.00 0.31 0.00 0.00 61.69 63.43 2kb3 s THR 110 Cb 0.00 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 2kb3 s THR 110 CO 0.00 0.22 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.67 2kb3 s TYR 111 N 1.08 1.48 -0.17 4.92 1.51 -0.44 -3.51 117.35 122.23 2kb3 s TYR 111 Ca 0.35 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.10 2kb3 s TYR 111 Cb -0.17 -0.93 0.03 0.00 -0.11 0.00 0.00 41.96 40.79 2kb3 s TYR 111 CO 0.16 0.01 -0.12 0.08 -1.11 0.00 0.00 175.55 174.56 2kb3 s VAL 112 N -0.56 1.58 -1.38 0.71 1.01 0.51 -0.09 120.40 122.18 2kb3 s VAL 112 Ca 0.06 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2kb3 s VAL 112 Cb -0.07 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.76 2kb3 s VAL 112 CO 0.00 0.33 0.58 0.59 0.00 0.00 0.00 175.10 176.61 2kb3 n ASN 113 N 4.74 -1.03 0.00 3.32 3.02 0.83 -1.53 115.26 124.61 2kb3 n ASN 113 Ca -0.16 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2kb3 n ASN 113 Cb 0.49 -3.52 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kb3 n ARG 114 N -4.36 -1.20 -4.55 3.52 1.74 -1.26 -4.74 116.66 105.80 2kb3 n ARG 114 Ca -0.27 0.30 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 2kb3 n ARG 114 Cb 0.67 -4.25 -0.12 0.00 -1.02 0.00 0.00 32.46 27.74 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 -1.24 3.09 0.06 5.56 2.02 -0.58 -3.67 118.70 123.94 2kb3 s GLU 115 Ca 0.00 -0.54 -0.31 0.00 0.02 0.00 0.00 54.97 54.15 2kb3 s GLU 115 Cb 0.00 -2.71 -0.09 0.00 0.10 0.00 0.00 34.13 31.44 2kb3 s GLU 115 CO 0.00 0.51 1.74 -1.25 0.02 0.00 0.00 175.26 176.28 2kb3 s PRO 116 N -0.39 4.17 -0.11 0.39 0.04 -1.26 -0.36 135.00 137.48 2kb3 s PRO 116 Ca 0.06 2.41 -0.07 0.00 0.04 0.00 0.00 61.00 63.45 2kb3 s PRO 116 Cb -0.12 -3.72 0.04 0.00 0.04 0.00 0.00 34.50 30.74 2kb3 s PRO 116 CO 0.02 -0.80 0.27 0.50 0.04 0.00 0.00 177.00 177.03 2kb3 s ARG 117 N 3.07 0.25 -0.21 4.56 6.06 -1.23 -4.89 118.95 126.56 2kb3 s ARG 117 Ca 0.77 0.53 0.08 0.00 -2.50 0.00 0.00 55.73 54.62 2kb3 s ARG 117 Cb -0.41 -0.05 -0.19 0.00 0.06 0.00 0.00 34.95 34.36 2kb3 s ARG 117 CO 0.34 -0.14 -0.09 0.09 -2.50 0.00 0.00 175.30 173.01 2kb3 n ASN 118 N 3.98 1.39 -4.17 -2.12 4.13 -1.26 -4.58 115.26 112.63 2kb3 n ASN 118 Ca -0.23 -0.07 -0.28 0.00 1.68 0.00 0.00 54.58 55.69 2kb3 n ASN 118 Cb 0.54 0.22 -0.16 0.00 -1.54 0.00 0.00 39.78 38.84 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 -2.46 1.71 -0.06 5.41 0.00 -1.26 0.43 121.76 125.53 2kb3 s ALA 119 Ca -0.22 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 2kb3 s ALA 119 Cb 0.07 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.65 2kb3 s ALA 119 CO 0.64 0.32 0.24 -1.14 0.00 0.00 0.00 175.76 175.81 2kb3 s GLN 120 N -0.02 0.39 -0.36 0.00 2.00 0.41 -4.99 119.66 117.10 2kb3 s GLN 120 Ca -0.04 0.11 -0.14 0.00 -2.00 0.00 0.00 55.36 53.29 2kb3 s GLN 120 Cb -0.12 0.18 -0.01 0.00 0.80 0.00 0.00 33.01 33.86 2kb3 s GLN 120 CO 0.03 -0.07 0.29 0.08 -0.50 0.00 0.00 175.29 175.11 2kb3 s VAL 121 N -0.41 5.24 -0.13 1.34 1.01 -1.26 0.00 120.40 126.19 2kb3 s VAL 121 Ca -0.05 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 2kb3 s VAL 121 Cb -0.03 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2kb3 s VAL 121 CO 0.01 -0.11 0.39 -0.32 0.00 0.00 0.00 175.10 175.07 2kb3 s MET 122 N 1.81 4.27 0.23 2.72 1.75 0.06 -4.97 119.30 125.17 2kb3 s MET 122 Ca 0.08 0.29 0.09 0.00 -1.25 0.00 0.00 55.69 54.90 2kb3 s MET 122 Cb -0.17 -3.41 -0.04 0.00 2.84 0.00 0.00 34.83 34.04 2kb3 s MET 122 CO 0.11 0.24 -0.05 -0.65 -0.65 0.00 0.00 175.02 174.01 2kb3 s GLN 123 N 0.42 2.16 0.11 4.11 -0.21 -1.26 -4.51 119.66 120.48 2kb3 s GLN 123 Ca 0.22 -1.39 -0.31 0.00 0.02 0.00 0.00 55.36 53.90 2kb3 s GLN 123 Cb -0.14 -2.13 -0.09 0.00 1.00 0.00 0.00 33.01 31.64 2kb3 s GLN 123 CO 0.08 0.39 1.67 -0.08 -2.12 0.00 0.00 175.29 175.23 2kb3 s THR 124 N -2.11 2.78 0.00 -0.19 -1.32 -1.26 -1.52 115.64 112.02 2kb3 s THR 124 Ca 0.29 0.36 0.00 0.00 -1.21 0.00 0.00 61.69 61.13 2kb3 s THR 124 Cb -0.07 -3.23 0.00 0.00 -1.51 0.00 0.00 72.50 67.68 2kb3 s THR 124 CO 0.18 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 2kb3 n GLY 125 N 3.98 0.46 3.79 6.08 0.00 0.79 -3.61 105.19 116.69 2kb3 n GLY 125 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.85 7.13 -0.08 1.61 2.15 -0.58 -4.47 116.67 119.59 2kb3 s ASP 126 Ca 0.00 1.86 0.05 0.00 0.43 0.00 0.00 52.55 54.89 2kb3 s ASP 126 Cb 0.00 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 40.04 2kb3 s ASP 126 CO 0.00 -0.22 -0.24 -1.61 -0.17 0.00 0.00 175.17 172.92 2kb3 s GLU 127 N -2.36 2.78 -0.15 4.34 2.02 -1.26 -1.37 118.70 122.70 2kb3 s GLU 127 Ca 0.54 -0.89 -0.04 0.00 0.02 0.00 0.00 54.97 54.60 2kb3 s GLU 127 Cb -0.18 -2.23 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 2kb3 s GLU 127 CO 0.23 0.29 -0.02 0.42 0.02 0.00 0.00 175.26 176.20 2kb3 s ILE 128 N 0.07 4.08 -0.31 -1.63 1.01 0.76 -0.12 121.20 125.06 2kb3 s ILE 128 Ca -0.11 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 2kb3 s ILE 128 Cb -0.16 -2.78 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 2kb3 s ILE 128 CO 0.06 0.51 0.13 -1.58 0.00 0.00 0.00 174.94 174.06 2kb3 s GLN 129 N 0.16 3.27 -0.17 2.79 2.00 0.88 -0.96 119.66 127.62 2kb3 s GLN 129 Ca -0.00 -0.76 0.00 0.00 -2.00 0.00 0.00 55.36 52.60 2kb3 s GLN 129 Cb -0.13 -3.50 0.03 0.00 0.80 0.00 0.00 33.01 30.21 2kb3 s GLN 129 CO 0.02 -0.42 -0.11 0.42 -0.50 0.00 0.00 175.29 174.70 2kb3 s ILE 130 N 1.58 1.50 0.00 -2.34 1.01 0.21 -1.32 121.20 121.83 2kb3 s ILE 130 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.91 2kb3 s ILE 130 Cb -0.17 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.77 2kb3 s ILE 130 CO 0.05 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2kb3 n GLY 131 N 4.76 0.88 0.00 6.18 0.00 -1.24 -0.33 105.19 115.43 2kb3 n GLY 131 Ca -0.15 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.80 -4.23 1.61 0.00 -1.26 -3.94 118.16 111.15 2kb3 n LYS 132 Ca 0.00 -0.84 -0.25 0.00 -0.00 0.00 0.00 58.31 57.22 2kb3 n LYS 132 Cb 0.00 -0.88 -0.07 0.00 -0.00 0.00 0.00 35.03 34.07 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 2kb3 s PHE 133 N -0.39 2.82 -0.04 5.58 -0.12 0.55 -4.87 117.98 121.50 2kb3 s PHE 133 Ca 0.00 -0.16 0.06 0.00 -0.05 0.00 0.00 56.93 56.77 2kb3 s PHE 133 Cb 0.00 -1.33 -0.01 0.00 -0.63 0.00 0.00 43.02 41.06 2kb3 s PHE 133 CO 0.00 0.55 -0.21 1.03 -0.05 0.00 0.00 175.22 176.54 2kb3 s ARG 134 N -3.22 1.98 -0.03 1.99 3.00 -0.65 -0.62 118.95 121.41 2kb3 s ARG 134 Ca 0.29 -0.74 0.07 0.00 0.00 0.00 0.00 55.73 55.35 2kb3 s ARG 134 Cb -0.08 -1.76 -0.02 0.00 0.00 0.00 0.00 34.95 33.09 2kb3 s ARG 134 CO 0.19 0.35 -0.24 -0.51 0.00 0.00 0.00 175.30 175.09 2kb3 s LEU 135 N -0.18 2.15 -0.13 2.53 1.02 -0.13 -0.47 118.68 123.47 2kb3 s LEU 135 Ca -0.00 -0.43 -0.01 0.00 0.02 0.00 0.00 54.13 53.70 2kb3 s LEU 135 Cb -0.11 -1.37 -0.02 0.00 0.02 0.00 0.00 46.19 44.71 2kb3 s LEU 135 CO 0.02 0.32 -0.10 -0.69 0.02 0.00 0.00 176.35 175.92 2kb3 s VAL 136 N -0.59 3.38 -0.30 -1.59 1.01 0.40 -0.17 120.40 122.55 2kb3 s VAL 136 Ca 0.09 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 2kb3 s VAL 136 Cb -0.10 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2kb3 s VAL 136 CO -0.00 0.52 0.15 0.12 0.00 0.00 0.00 175.10 175.89 2kb3 s PHE 137 N 0.19 3.17 -0.10 5.22 5.36 -0.47 -1.36 117.98 130.00 2kb3 s PHE 137 Ca -0.05 -0.41 0.04 0.00 -0.96 0.00 0.00 56.93 55.55 2kb3 s PHE 137 Cb -0.15 -2.35 -0.00 0.00 -0.34 0.00 0.00 43.02 40.18 2kb3 s PHE 137 CO 0.04 -0.38 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.68 2kb3 s LEU 138 N 1.65 2.17 -0.21 6.12 1.43 0.11 -0.15 118.68 129.81 2kb3 s LEU 138 Ca 0.05 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 2kb3 s LEU 138 Cb -0.17 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 2kb3 s LEU 138 CO 0.07 0.18 -0.05 0.00 0.23 0.00 0.00 176.35 176.78 2kb3 s ALA 139 N 0.24 2.81 0.00 4.21 0.00 -1.26 0.00 121.76 127.76 2kb3 s ALA 139 Ca -0.15 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2kb3 s ALA 139 Cb -0.17 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2kb3 s ALA 139 CO 0.08 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2kb3 n GLY 140 N 4.55 0.68 3.77 0.00 0.00 -1.13 -4.79 105.19 108.27 2kb3 n GLY 140 Ca -0.18 0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2kb3 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kb3 s PRO 141 N 1.49 2.12 -0.08 1.61 0.04 -1.26 -2.91 135.00 136.01 2kb3 s PRO 141 Ca 0.00 1.00 0.13 0.00 0.04 0.00 0.00 61.00 62.17 2kb3 s PRO 141 Cb 0.00 -1.89 0.27 0.00 0.04 0.00 0.00 34.50 32.91 2kb3 s PRO 141 CO 0.00 -1.69 1.13 0.00 0.04 0.00 0.00 177.00 176.48 2kb3 n ALA 142 N -3.53 2.51 0.00 8.56 0.00 -1.26 -4.41 120.51 122.38 2kb3 n ALA 142 Ca 0.08 -2.25 0.00 0.00 0.00 0.00 0.00 53.44 51.27 2kb3 n ALA 142 Cb 0.54 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2kb3 n ALA 142 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65