#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb4 h SER 2 N 0.00 0.66 -5.44 7.83 0.02 -2.15 -3.49 113.55 110.98 2kb4 h SER 2 Ca 0.00 -0.79 -0.04 0.00 -0.84 0.00 0.00 61.79 60.12 2kb4 h SER 2 Cb 0.00 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.34 2kb4 h SER 2 CO 0.00 1.37 -0.79 -0.67 -1.14 0.00 0.00 176.83 175.61 2kb4 n ASP 3 N -4.07 -7.66 -4.94 3.07 2.03 -1.26 -5.02 116.55 98.71 2kb4 n ASP 3 Ca -0.11 0.78 -0.23 0.00 0.52 0.00 0.00 54.79 55.75 2kb4 n ASP 3 Cb 0.79 -4.74 0.05 0.00 -0.72 0.00 0.00 41.12 36.50 2kb4 n ASP 3 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kb4 s ASN 4 N -2.03 5.06 0.06 1.67 2.20 -1.26 -5.09 114.94 115.54 2kb4 s ASN 4 Ca 0.16 0.11 0.00 0.00 -0.94 0.00 0.00 52.86 52.19 2kb4 s ASN 4 Cb -0.04 -0.88 -0.04 0.00 -2.00 0.00 0.00 41.25 38.29 2kb4 s ASN 4 CO 0.73 -1.34 0.17 0.54 -2.94 0.00 0.00 177.10 174.26 2kb4 s ASN 5 N -4.48 6.13 -0.41 3.54 2.20 -1.26 -5.06 114.94 115.60 2kb4 s ASN 5 Ca 0.59 0.21 0.04 0.00 -0.94 0.00 0.00 52.86 52.75 2kb4 s ASN 5 Cb -0.10 -1.84 0.11 0.00 -2.00 0.00 0.00 41.25 37.43 2kb4 s ASN 5 CO 0.41 0.18 0.14 -0.83 -2.94 0.00 0.00 177.10 174.06 2kb4 s GLY 6 N -2.39 2.05 -0.24 0.45 0.00 -1.26 -5.08 107.32 100.85 2kb4 s GLY 6 Ca 0.32 -2.75 -0.11 0.00 0.00 0.00 0.00 44.72 42.18 2kb4 s GLY 6 CO 0.25 1.04 0.19 -0.51 0.00 0.00 0.00 173.10 174.07 2kb4 s THR 7 N 0.49 5.33 0.24 0.90 -4.23 -1.26 -5.07 115.64 112.04 2kb4 s THR 7 Ca 0.13 0.25 -0.30 0.00 -1.18 0.00 0.00 61.69 60.59 2kb4 s THR 7 Cb -0.22 -3.53 -0.10 0.00 1.34 0.00 0.00 72.50 69.99 2kb4 s THR 7 CO -0.06 0.32 1.41 -2.84 -0.54 0.00 0.00 174.62 172.91 2kb4 s PRO 8 N 1.16 4.30 -0.13 3.99 0.02 -1.26 -5.00 135.00 138.08 2kb4 s PRO 8 Ca 0.09 2.24 -0.18 0.00 0.02 0.00 0.00 61.00 63.17 2kb4 s PRO 8 Cb -0.14 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 2kb4 s PRO 8 CO 0.05 -0.38 0.46 -1.21 -0.33 0.00 0.00 177.00 175.59 2kb4 s GLU 9 N -0.31 4.32 0.55 5.54 2.02 -1.26 -5.04 118.70 124.53 2kb4 s GLU 9 Ca 0.59 0.40 -0.20 0.00 0.02 0.00 0.00 54.97 55.78 2kb4 s GLU 9 Cb -0.40 -3.44 -0.06 0.00 0.10 0.00 0.00 34.13 30.32 2kb4 s GLU 9 CO 0.42 0.15 0.97 -2.30 0.02 0.00 0.00 175.26 174.52 2kb4 n PRO 10 N 3.73 1.04 -4.25 0.39 -0.02 -1.26 -5.04 135.00 129.59 2kb4 n PRO 10 Ca -0.07 0.39 -0.19 0.00 -2.02 0.00 0.00 63.50 61.60 2kb4 n PRO 10 Cb 0.52 -2.14 -0.11 0.00 -0.02 0.00 0.00 33.50 31.74 2kb4 n PRO 10 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2kb4 s GLN 11 N -2.54 1.04 -0.04 -0.52 2.00 -1.26 -5.14 119.66 113.20 2kb4 s GLN 11 Ca 0.72 -1.20 0.04 0.00 -2.00 0.00 0.00 55.36 52.92 2kb4 s GLN 11 Cb -0.45 -1.03 -0.01 0.00 0.80 0.00 0.00 33.01 32.33 2kb4 s GLN 11 CO 0.50 0.21 -0.17 0.54 -0.50 0.00 0.00 175.29 175.87 2kb4 s VAL 12 N -1.83 1.40 -0.04 1.34 0.11 -1.26 -5.12 120.40 115.01 2kb4 s VAL 12 Ca 0.08 -0.71 -0.17 0.00 -2.93 0.00 0.00 61.98 58.25 2kb4 s VAL 12 Cb -0.07 -1.20 -0.05 0.00 -1.53 0.00 0.00 36.38 33.53 2kb4 s VAL 12 CO 0.04 0.40 0.45 -0.70 -3.33 0.00 0.00 175.10 171.96 2kb4 s GLU 13 N -0.06 4.12 -1.05 1.54 2.56 -1.26 -4.99 118.70 119.56 2kb4 s GLU 13 Ca -0.01 0.47 -0.22 0.00 0.00 0.00 0.00 54.97 55.20 2kb4 s GLU 13 Cb -0.10 -3.31 0.04 0.00 2.00 0.00 0.00 34.13 32.76 2kb4 s GLU 13 CO 0.01 0.48 1.54 0.95 -0.56 0.00 0.00 175.26 177.68 2kb4 s THR 14 N -0.42 3.90 -0.51 -1.70 -4.23 -1.26 -4.91 115.64 106.50 2kb4 s THR 14 Ca 0.25 -0.89 -0.17 0.00 -1.18 0.00 0.00 61.69 59.70 2kb4 s THR 14 Cb -0.16 -4.98 0.08 0.00 1.34 0.00 0.00 72.50 68.78 2kb4 s THR 14 CO 0.13 -1.85 0.53 -0.89 -0.54 0.00 0.00 174.62 172.00 2kb4 s THR 15 N 5.43 5.05 0.18 3.99 2.01 -1.26 -5.03 115.64 126.00 2kb4 s THR 15 Ca 0.50 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.66 2kb4 s THR 15 Cb -0.00 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 2kb4 s THR 15 CO -0.06 -0.77 -0.02 -0.44 -0.69 0.00 0.00 174.62 172.63 2kb4 s SER 16 N 2.90 4.64 -0.19 3.53 0.01 -1.26 -5.09 113.70 118.24 2kb4 s SER 16 Ca 0.09 -0.44 -0.23 0.00 1.31 0.00 0.00 55.95 56.68 2kb4 s SER 16 Cb -0.23 -0.94 -0.02 0.00 0.21 0.00 0.00 66.02 65.03 2kb4 s SER 16 CO 0.08 0.09 0.72 -0.69 0.41 0.00 0.00 173.24 173.85 2kb4 s VAL 17 N -1.73 4.95 -0.44 3.43 1.01 -1.26 -5.02 120.40 121.34 2kb4 s VAL 17 Ca 0.27 1.39 -0.15 0.00 0.00 0.00 0.00 61.98 63.48 2kb4 s VAL 17 Cb -0.09 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.30 2kb4 s VAL 17 CO 0.18 0.07 0.35 -0.36 0.00 0.00 0.00 175.10 175.33 2kb4 s PHE 18 N 2.04 3.24 0.30 5.22 0.08 -1.26 -5.06 117.98 122.55 2kb4 s PHE 18 Ca 0.33 -0.76 0.07 0.00 0.12 0.00 0.00 56.93 56.69 2kb4 s PHE 18 Cb -0.16 -2.88 -0.02 0.00 -0.57 0.00 0.00 43.02 39.39 2kb4 s PHE 18 CO 0.11 -0.69 0.34 1.03 -0.10 0.00 0.00 175.22 175.91 2kb4 s ARG 19 N 1.66 3.02 -0.74 0.44 0.52 -1.26 -5.07 118.95 117.52 2kb4 s ARG 19 Ca 0.05 -1.06 0.04 0.00 -0.52 0.00 0.00 55.73 54.24 2kb4 s ARG 19 Cb -0.22 -2.68 0.19 0.00 0.52 0.00 0.00 34.95 32.76 2kb4 s ARG 19 CO 0.08 0.22 0.58 0.00 0.02 0.00 0.00 175.30 176.20 2kb4 n ALA 20 N -1.42 3.56 -0.04 2.13 0.00 -1.26 -4.84 120.51 118.64 2kb4 n ALA 20 Ca -0.04 -4.57 -0.09 0.00 0.00 0.00 0.00 53.44 48.74 2kb4 n ALA 20 Cb 0.58 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.73 2kb4 n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kb4 n ASP 21 N 1.92 0.61 -4.54 0.00 9.92 -1.26 -4.73 116.55 118.46 2kb4 n ASP 21 Ca 0.21 0.29 -0.43 0.00 -0.53 0.00 0.00 54.79 54.33 2kb4 n ASP 21 Cb 0.36 0.27 -0.01 0.00 -0.64 0.00 0.00 41.12 41.10 2kb4 n ASP 21 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2kb4 s LEU 22 N -5.89 4.03 -0.24 0.64 1.43 -1.26 -4.79 118.68 112.60 2kb4 s LEU 22 Ca -0.06 -2.19 -0.09 0.00 -1.03 0.00 0.00 54.13 50.76 2kb4 s LEU 22 Cb 0.07 -2.53 0.10 0.00 0.03 0.00 0.00 46.19 43.86 2kb4 s LEU 22 CO 0.83 -1.20 0.52 -0.22 0.23 0.00 0.00 176.35 176.51 2kb4 s LEU 23 N 3.92 -0.79 -0.03 1.79 0.20 -1.26 -5.08 118.68 117.42 2kb4 s LEU 23 Ca 0.48 1.23 0.01 0.00 0.69 0.00 0.00 54.13 56.54 2kb4 s LEU 23 Cb 0.01 1.77 -0.03 0.00 -0.43 0.00 0.00 46.19 47.51 2kb4 s LEU 23 CO -0.00 -0.22 -0.01 2.29 -0.29 0.00 0.00 176.35 178.11 2kb4 n LYS 24 N 5.22 1.55 -3.63 1.98 2.85 -1.26 -5.11 118.16 119.76 2kb4 n LYS 24 Ca -0.12 0.01 -0.08 0.00 -1.05 0.00 0.00 58.31 57.07 2kb4 n LYS 24 Cb 0.51 -1.07 -0.02 0.00 -0.65 0.00 0.00 35.03 33.79 2kb4 n LYS 24 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2kb4 s GLU 25 N -2.07 1.33 -0.01 -1.58 -1.05 -1.26 -5.02 118.70 109.05 2kb4 s GLU 25 Ca -0.03 -0.63 0.01 0.00 -0.15 0.00 0.00 54.97 54.16 2kb4 s GLU 25 Cb 0.01 0.52 0.01 0.00 -0.44 0.00 0.00 34.13 34.23 2kb4 s GLU 25 CO 0.10 -0.60 0.96 -1.33 0.95 0.00 0.00 175.26 175.34 2kb4 n MET 26 N -0.40 0.06 -2.23 -4.83 2.81 -1.26 -5.06 117.12 106.21 2kb4 n MET 26 Ca -0.09 -1.02 -0.43 0.00 -1.81 0.00 0.00 57.70 54.35 2kb4 n MET 26 Cb 0.62 -0.54 -0.02 0.00 -0.71 0.00 0.00 33.22 32.56 2kb4 n MET 26 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2kb4 s GLU 27 N -0.12 3.65 0.00 0.03 8.01 -1.26 -4.96 118.70 124.05 2kb4 s GLU 27 Ca 0.01 1.28 0.00 0.00 0.01 0.00 0.00 54.97 56.28 2kb4 s GLU 27 Cb 0.01 -4.04 -0.00 0.00 -4.31 0.00 0.00 34.13 25.79 2kb4 s GLU 27 CO 0.00 -1.47 -0.01 -1.12 0.01 0.00 0.00 175.26 172.67 2kb4 s SER 28 N 4.24 0.11 0.09 -0.19 0.01 -1.26 -5.13 113.70 111.56 2kb4 s SER 28 Ca 0.67 -0.07 -0.30 0.00 1.31 0.00 0.00 55.95 57.56 2kb4 s SER 28 Cb -0.19 0.00 -0.05 0.00 0.21 0.00 0.00 66.02 65.99 2kb4 s SER 28 CO 0.30 -0.02 1.05 -0.94 0.41 0.00 0.00 173.24 174.04 2kb4 s SER 29 N -0.18 7.32 0.37 2.44 1.04 -1.26 -5.03 113.70 118.39 2kb4 s SER 29 Ca -0.01 1.87 -0.20 0.00 0.48 0.00 0.00 55.95 58.09 2kb4 s SER 29 Cb -0.01 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.42 2kb4 s SER 29 CO -0.00 -0.24 0.86 0.42 0.98 0.00 0.00 173.24 175.26 2kb4 s THR 30 N 0.44 4.47 0.09 2.02 -4.23 -1.26 -4.99 115.64 112.19 2kb4 s THR 30 Ca 0.51 1.34 -0.31 0.00 -1.18 0.00 0.00 61.69 62.06 2kb4 s THR 30 Cb -0.25 -3.67 -0.09 0.00 1.34 0.00 0.00 72.50 69.82 2kb4 s THR 30 CO 0.30 -0.18 1.77 -0.83 -0.54 0.00 0.00 174.62 175.14 2kb4 s GLY 31 N -2.10 1.43 -0.08 3.99 0.00 -1.26 -4.94 107.32 104.35 2kb4 s GLY 31 Ca 0.57 1.34 -0.24 0.00 0.00 0.00 0.00 44.72 46.39 2kb4 s GLY 31 CO 0.16 3.07 0.73 -1.59 0.00 0.00 0.00 173.10 175.48 2kb4 s THR 32 N 2.85 5.01 -0.37 0.90 2.01 -1.26 -5.01 115.64 119.77 2kb4 s THR 32 Ca 0.79 1.49 -0.29 0.00 0.31 0.00 0.00 61.69 63.99 2kb4 s THR 32 Cb -0.43 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.03 2kb4 s THR 32 CO 0.35 0.21 1.09 0.00 -0.69 0.00 0.00 174.62 175.58 2kb4 s ALA 33 N 1.04 3.38 -0.51 7.40 0.00 -1.26 -4.98 121.76 126.83 2kb4 s ALA 33 Ca 0.38 -0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.85 2kb4 s ALA 33 Cb -0.18 -3.74 0.02 0.00 0.00 0.00 0.00 23.12 19.22 2kb4 s ALA 33 CO 0.18 -1.75 1.28 -2.14 0.00 0.00 0.00 175.76 173.33 2kb4 s PRO 34 N 3.91 3.53 -0.23 0.00 0.02 -1.26 -4.74 135.00 136.23 2kb4 s PRO 34 Ca 0.46 0.54 0.06 0.00 0.02 0.00 0.00 61.00 62.08 2kb4 s PRO 34 Cb -0.10 -4.02 -0.18 0.00 0.02 0.00 0.00 34.50 30.22 2kb4 s PRO 34 CO 0.21 -1.64 -0.14 0.00 -0.33 0.00 0.00 177.00 175.09 2kb4 n ALA 35 N 8.66 1.49 -2.32 -1.55 0.00 -1.26 -4.72 120.51 120.80 2kb4 n ALA 35 Ca 0.12 -1.10 -0.37 0.00 0.00 0.00 0.00 53.44 52.09 2kb4 n ALA 35 Cb 0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 2kb4 n ALA 35 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kb4 n SER 36 N -3.08 4.12 -0.07 0.00 7.64 -1.26 -4.50 113.62 116.46 2kb4 n SER 36 Ca -0.40 -2.82 -0.06 0.00 1.01 0.00 0.00 58.87 56.60 2kb4 n SER 36 Cb 1.00 -1.73 -0.16 0.00 -1.01 0.00 0.00 64.21 62.32 2kb4 n SER 36 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kb4 n THR 37 N 6.91 1.15 -1.51 0.44 -1.04 -1.26 -5.05 114.28 113.92 2kb4 n THR 37 Ca 0.47 -0.78 -0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2kb4 n THR 37 Cb 0.46 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 2kb4 n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb4 n GLY 38 N 1.63 -0.29 0.31 3.41 0.00 -1.26 -4.69 105.19 104.29 2kb4 n GLY 38 Ca -0.25 -0.19 0.16 0.00 0.00 0.00 0.00 46.02 45.73 2kb4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 h ALA 39 N 0.00 1.56 0.00 4.61 0.00 -1.94 0.91 119.26 124.41 2kb4 h ALA 39 Ca -0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 2kb4 h ALA 39 Cb 1.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2kb4 h ALA 39 CO 0.00 -0.06 -0.98 1.05 0.00 0.00 0.00 179.25 179.26 2kb4 h GLU 40 N 0.00 0.00 0.15 0.00 4.11 -2.02 -3.33 114.58 113.49 2kb4 h GLU 40 Ca 0.02 -0.01 -0.33 0.00 0.07 0.00 0.00 59.36 59.11 2kb4 h GLU 40 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2kb4 h GLU 40 CO -0.00 0.98 -1.63 -0.91 0.07 0.00 0.00 179.01 177.53 2kb4 h ASN 41 N 0.00 0.49 -2.88 3.06 2.35 -1.37 -3.45 115.58 113.77 2kb4 h ASN 41 Ca -0.01 -0.70 -0.56 0.00 -0.55 0.00 0.00 56.30 54.48 2kb4 h ASN 41 Cb 1.73 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.92 2kb4 h ASN 41 CO 0.13 1.59 0.90 -0.22 -1.65 0.00 0.00 177.43 178.18 2kb4 s LEU 42 N -7.11 4.22 0.41 1.61 0.20 0.13 -4.99 118.68 113.15 2kb4 s LEU 42 Ca -0.12 1.82 -0.26 0.00 0.69 0.00 0.00 54.13 56.26 2kb4 s LEU 42 Cb 0.06 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 42.19 2kb4 s LEU 42 CO 0.86 -0.76 1.36 -2.84 -0.29 0.00 0.00 176.35 174.67 2kb4 s PRO 43 N 3.34 3.92 -0.73 0.98 0.02 -1.26 -4.87 135.00 136.40 2kb4 s PRO 43 Ca 0.58 2.28 -0.26 0.00 0.02 0.00 0.00 61.00 63.62 2kb4 s PRO 43 Cb -0.25 -2.76 -0.00 0.00 0.02 0.00 0.00 34.50 31.51 2kb4 s PRO 43 CO 0.19 -0.58 1.64 0.00 -0.33 0.00 0.00 177.00 177.91 2kb4 s ALA 44 N -1.22 2.35 -0.38 -1.55 0.00 -1.26 -4.83 121.76 114.87 2kb4 s ALA 44 Ca 0.57 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 51.42 2kb4 s ALA 44 Cb -0.41 -4.34 0.16 0.00 0.00 0.00 0.00 23.12 18.53 2kb4 s ALA 44 CO 0.53 -3.78 0.38 0.20 0.00 0.00 0.00 175.76 173.09 2kb4 s GLY 45 N 6.33 -0.03 0.53 0.00 0.00 -1.26 -4.56 107.32 108.33 2kb4 s GLY 45 Ca 0.55 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 44.24 2kb4 s GLY 45 CO 0.13 2.75 0.80 -0.56 0.00 0.00 0.00 173.10 176.22 2kb4 s SER 46 N 1.39 5.69 0.22 1.64 0.01 -1.26 -4.97 113.70 116.41 2kb4 s SER 46 Ca 0.17 0.52 0.03 0.00 1.31 0.00 0.00 55.95 57.99 2kb4 s SER 46 Cb -0.15 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.41 2kb4 s SER 46 CO -0.02 -0.91 -0.00 0.00 0.41 0.00 0.00 173.24 172.71 2kb4 s ALA 47 N -2.80 1.72 0.14 1.44 0.00 -1.26 -2.54 121.76 118.46 2kb4 s ALA 47 Ca 0.52 -1.73 0.07 0.00 0.00 0.00 0.00 51.96 50.81 2kb4 s ALA 47 Cb -0.10 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 2kb4 s ALA 47 CO 0.42 -0.27 -0.16 -0.48 0.00 0.00 0.00 175.76 175.28 2kb4 s LEU 48 N -3.28 2.42 0.03 0.00 -0.00 -0.30 -0.67 118.68 116.88 2kb4 s LEU 48 Ca 0.28 -0.83 0.06 0.00 -0.00 0.00 0.00 54.13 53.64 2kb4 s LEU 48 Cb 0.06 -0.66 -0.02 0.00 -0.00 0.00 0.00 46.19 45.56 2kb4 s LEU 48 CO 0.08 -0.10 -0.19 -1.48 -0.00 0.00 0.00 176.35 174.66 2kb4 s LEU 49 N -2.53 2.14 -0.02 1.48 0.05 -0.18 -0.01 118.68 119.62 2kb4 s LEU 49 Ca 0.12 -0.47 0.05 0.00 0.05 0.00 0.00 54.13 53.87 2kb4 s LEU 49 Cb -0.05 -0.88 -0.01 0.00 -2.05 0.00 0.00 46.19 43.20 2kb4 s LEU 49 CO 0.04 0.14 -0.15 0.68 -0.55 0.00 0.00 176.35 176.51 2kb4 s VAL 50 N -0.74 1.23 -0.33 1.48 -7.23 -0.07 -0.61 120.40 114.13 2kb4 s VAL 50 Ca 0.06 -0.65 -0.18 0.00 -1.81 0.00 0.00 61.98 59.40 2kb4 s VAL 50 Cb -0.08 -1.03 -0.01 0.00 0.56 0.00 0.00 36.38 35.82 2kb4 s VAL 50 CO 0.01 0.35 0.50 -0.69 -0.31 0.00 0.00 175.10 174.97 2kb4 s VAL 51 N -0.26 5.03 0.18 1.32 1.01 -1.04 -1.19 120.40 125.45 2kb4 s VAL 51 Ca 0.04 0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 2kb4 s VAL 51 Cb -0.07 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2kb4 s VAL 51 CO -0.00 -0.15 1.54 0.11 0.00 0.00 0.00 175.10 176.60 2kb4 h LYS 52 N 8.38 0.79 -1.56 2.72 1.57 -1.58 -3.41 116.57 123.47 2kb4 h LYS 52 Ca -0.28 -0.40 0.09 0.00 -1.87 0.00 0.00 60.65 58.19 2kb4 h LYS 52 Cb 1.13 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.18 2kb4 h LYS 52 CO 0.76 1.02 0.43 0.50 -0.57 0.00 0.00 179.45 181.59 2kb4 s ARG 53 N -4.38 0.44 0.00 3.15 3.52 -1.21 -5.04 118.95 115.43 2kb4 s ARG 53 Ca -0.09 0.62 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 2kb4 s ARG 53 Cb 0.12 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 2kb4 s ARG 53 CO 0.86 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.69 2kb4 n GLY 54 N 2.87 4.34 0.00 8.12 0.00 -1.26 -2.48 105.19 116.78 2kb4 n GLY 54 Ca -0.15 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.15 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb4 n PRO 55 N -1.54 0.03 -0.20 1.61 -0.02 -1.25 -3.02 135.00 130.61 2kb4 n PRO 55 Ca 0.00 0.28 0.01 0.00 -2.02 0.00 0.00 63.50 61.78 2kb4 n PRO 55 Cb 0.00 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.10 2kb4 n PRO 55 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2kb4 h ASN 56 N 0.00 -0.02 -1.72 2.55 2.35 -1.87 -3.35 115.58 113.52 2kb4 h ASN 56 Ca 0.00 0.12 0.17 0.00 -0.55 0.00 0.00 56.30 56.05 2kb4 h ASN 56 Cb 0.17 0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2kb4 h ASN 56 CO 0.00 -0.01 0.52 0.00 -1.65 0.00 0.00 177.43 176.29 2kb4 n ALA 57 N -2.62 -2.17 -2.66 -0.83 0.00 -1.17 -4.00 120.51 107.06 2kb4 n ALA 57 Ca 0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 53.44 52.88 2kb4 n ALA 57 Cb 0.34 0.25 0.12 0.00 0.00 0.00 0.00 19.45 20.15 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N -0.57 1.66 0.00 0.00 0.00 -1.26 -4.38 105.19 100.64 2kb4 n GLY 58 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N -1.26 0.00 -2.77 4.61 0.00 -1.26 -4.96 120.51 114.87 2kb4 n ALA 59 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 2kb4 n ALA 59 Cb 0.84 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.15 2kb4 n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kb4 s ARG 60 N -0.92 2.84 -0.12 0.00 1.70 -1.26 -2.49 118.95 118.71 2kb4 s ARG 60 Ca 0.00 -0.75 0.00 0.00 -0.47 0.00 0.00 55.73 54.52 2kb4 s ARG 60 Cb 0.00 -2.41 0.02 0.00 -0.57 0.00 0.00 34.95 31.99 2kb4 s ARG 60 CO 0.00 0.41 -0.12 -0.06 -1.08 0.00 0.00 175.30 174.45 2kb4 s PHE 61 N -0.18 1.83 -0.26 5.89 0.40 0.22 -4.94 117.98 120.94 2kb4 s PHE 61 Ca -0.01 -0.94 -0.22 0.00 -0.60 0.00 0.00 56.93 55.16 2kb4 s PHE 61 Cb -0.13 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 2kb4 s PHE 61 CO 0.03 -0.55 0.71 -1.17 0.70 0.00 0.00 175.22 174.94 2kb4 s LEU 62 N 1.41 4.08 -0.36 -0.37 2.96 -1.26 -1.01 118.68 124.13 2kb4 s LEU 62 Ca 0.01 0.76 -0.29 0.00 -0.22 0.00 0.00 54.13 54.39 2kb4 s LEU 62 Cb -0.13 -2.97 0.02 0.00 0.50 0.00 0.00 46.19 43.61 2kb4 s LEU 62 CO -0.07 -0.46 1.11 -0.76 -1.32 0.00 0.00 176.35 174.85 2kb4 s LEU 63 N 2.67 3.86 0.05 -0.68 2.01 0.16 -4.85 118.68 121.90 2kb4 s LEU 63 Ca 0.29 0.92 0.22 0.00 0.01 0.00 0.00 54.13 55.57 2kb4 s LEU 63 Cb -0.15 -3.54 -0.20 0.00 0.01 0.00 0.00 46.19 42.30 2kb4 s LEU 63 CO 0.09 -0.99 0.68 -0.67 1.01 0.00 0.00 176.35 176.47 2kb4 n ASP 64 N 7.17 0.35 -4.86 2.29 2.03 -1.26 -4.18 116.55 118.09 2kb4 n ASP 64 Ca 0.12 0.14 -0.37 0.00 0.52 0.00 0.00 54.79 55.20 2kb4 n ASP 64 Cb 0.47 1.30 -0.06 0.00 -0.72 0.00 0.00 41.12 42.11 2kb4 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb4 s GLN 65 N -3.38 3.66 0.53 -0.67 -2.07 -1.26 -5.00 119.66 111.47 2kb4 s GLN 65 Ca -0.05 0.09 0.28 0.00 -1.82 0.00 0.00 55.36 53.86 2kb4 s GLN 65 Cb 0.12 -3.21 1.51 0.00 -1.09 0.00 0.00 33.01 30.34 2kb4 s GLN 65 CO 0.86 0.73 2.10 -1.00 -1.32 0.00 0.00 175.29 176.65 2kb4 h PRO 66 N 4.93 0.00 -3.34 9.60 0.13 -1.93 -3.38 132.00 138.01 2kb4 h PRO 66 Ca -0.53 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.06 2kb4 h PRO 66 Cb 1.22 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 2kb4 h PRO 66 CO 0.60 0.10 -0.76 0.99 -0.23 0.00 0.00 178.00 178.70 2kb4 s THR 67 N -4.22 0.47 -0.25 1.56 2.01 -1.26 -1.94 115.64 112.01 2kb4 s THR 67 Ca -0.03 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 2kb4 s THR 67 Cb 0.13 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 2kb4 s THR 67 CO 0.57 -0.51 0.12 -0.89 -0.69 0.00 0.00 174.62 173.22 2kb4 s THR 68 N 1.85 4.82 -0.28 -0.82 2.01 0.78 -4.98 115.64 119.02 2kb4 s THR 68 Ca 0.06 -0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.92 2kb4 s THR 68 Cb -0.17 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 2kb4 s THR 68 CO -0.21 0.32 0.29 -0.89 -0.69 0.00 0.00 174.62 173.43 2kb4 s THR 69 N 1.46 5.24 -0.15 -0.82 2.01 -1.26 -0.16 115.64 121.96 2kb4 s THR 69 Ca 0.06 0.36 -0.10 0.00 0.31 0.00 0.00 61.69 62.32 2kb4 s THR 69 Cb -0.15 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2kb4 s THR 69 CO 0.06 0.19 0.18 0.00 -0.69 0.00 0.00 174.62 174.37 2kb4 s ALA 70 N 1.92 3.73 0.00 7.40 0.00 0.39 -0.97 121.76 134.24 2kb4 s ALA 70 Ca 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2kb4 s ALA 70 Cb -0.16 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.80 2kb4 s ALA 70 CO 0.10 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.59 2kb4 n GLY 71 N 2.90 2.07 0.13 0.00 0.00 -1.26 -0.59 105.19 108.44 2kb4 n GLY 71 Ca -0.16 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 2kb4 n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kb4 n ARG 72 N 0.00 0.74 0.03 1.61 0.63 -1.23 -1.84 116.66 116.59 2kb4 n ARG 72 Ca 0.00 0.26 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 2kb4 n ARG 72 Cb 0.00 -1.72 0.00 0.00 0.45 0.00 0.00 32.46 31.19 2kb4 n ARG 72 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2kb4 n HIS 73 N -3.43 -1.95 -0.32 -0.14 -0.00 -1.26 -3.42 115.22 104.70 2kb4 n HIS 73 Ca -0.30 0.17 0.12 0.00 -0.00 0.00 0.00 57.72 57.71 2kb4 n HIS 73 Cb 1.05 0.72 0.30 0.00 -0.00 0.00 0.00 29.99 32.06 2kb4 n HIS 73 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2kb4 h PRO 74 N 0.00 0.55 0.00 1.57 0.11 -1.97 -1.58 132.00 130.68 2kb4 h PRO 74 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2kb4 h PRO 74 Cb 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.99 2kb4 h PRO 74 CO 0.00 0.36 0.00 -0.85 -0.21 0.00 0.00 178.00 177.30 2kb4 n GLU 75 N -4.91 1.51 -2.79 1.05 0.00 -1.26 -5.01 120.64 109.22 2kb4 n GLU 75 Ca 0.22 -1.02 -0.42 0.00 0.00 0.00 0.00 57.16 55.94 2kb4 n GLU 75 Cb 0.59 -0.85 -0.03 0.00 0.00 0.00 0.00 31.44 31.15 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2kb4 s SER 76 N -0.55 6.99 0.36 -1.84 0.01 -0.60 -4.70 113.70 113.37 2kb4 s SER 76 Ca 0.00 1.23 0.10 0.00 1.31 0.00 0.00 55.95 58.58 2kb4 s SER 76 Cb 0.00 -2.49 0.68 0.00 0.21 0.00 0.00 66.02 64.43 2kb4 s SER 76 CO 0.00 -0.54 1.84 0.44 0.41 0.00 0.00 173.24 175.39 2kb4 h ASP 77 N 7.47 0.17 -4.29 2.44 3.32 -1.33 -3.41 116.42 120.81 2kb4 h ASP 77 Ca -0.24 -0.05 -0.52 0.00 0.02 0.00 0.00 57.03 56.24 2kb4 h ASP 77 Cb 1.09 -0.05 -0.28 0.00 0.22 0.00 0.00 39.33 40.31 2kb4 h ASP 77 CO 0.90 0.45 -0.82 0.27 -1.72 0.00 0.00 179.24 178.31 2kb4 s ILE 78 N -4.44 1.31 -0.31 0.35 -0.00 -1.25 -5.03 121.20 111.84 2kb4 s ILE 78 Ca -0.05 -0.78 -0.14 0.00 -0.00 0.00 0.00 60.65 59.68 2kb4 s ILE 78 Cb 0.15 -1.10 -0.03 0.00 -0.00 0.00 0.00 42.46 41.47 2kb4 s ILE 78 CO 0.74 0.31 0.32 0.72 -0.00 0.00 0.00 174.94 177.03 2kb4 s PHE 79 N -0.48 3.22 0.58 1.37 -0.71 -1.26 -4.10 117.98 116.60 2kb4 s PHE 79 Ca 0.06 0.13 0.09 0.00 -1.04 0.00 0.00 56.93 56.16 2kb4 s PHE 79 Cb -0.07 -2.57 0.08 0.00 -1.21 0.00 0.00 43.02 39.25 2kb4 s PHE 79 CO -0.00 -0.31 0.70 -0.51 -1.34 0.00 0.00 175.22 173.76 2kb4 s LEU 80 N 1.96 2.97 -0.44 -1.99 1.02 -0.77 -4.66 118.68 116.77 2kb4 s LEU 80 Ca 0.11 -0.97 0.04 0.00 0.02 0.00 0.00 54.13 53.33 2kb4 s LEU 80 Cb -0.16 -1.47 0.19 0.00 0.02 0.00 0.00 46.19 44.77 2kb4 s LEU 80 CO 0.11 -1.31 0.79 -0.62 0.02 0.00 0.00 176.35 175.33 2kb4 s ASP 81 N -4.59 -1.19 0.38 2.29 -1.08 -1.26 -4.48 116.67 106.75 2kb4 s ASP 81 Ca 0.55 -1.07 0.04 0.00 -0.52 0.00 0.00 52.55 51.55 2kb4 s ASP 81 Cb -0.05 1.54 -0.01 0.00 -1.46 0.00 0.00 42.92 42.95 2kb4 s ASP 81 CO 0.35 -0.08 0.55 -0.62 0.52 0.00 0.00 175.17 175.88 2kb4 s ASP 82 N 1.31 5.91 0.40 -0.34 -1.08 -1.26 -3.43 116.67 118.18 2kb4 s ASP 82 Ca 0.23 -0.01 0.18 0.00 -0.52 0.00 0.00 52.55 52.43 2kb4 s ASP 82 Cb 0.01 -1.34 0.82 0.00 -1.46 0.00 0.00 42.92 40.95 2kb4 s ASP 82 CO -0.07 -0.54 1.82 1.62 0.52 0.00 0.00 175.17 178.52 2kb4 h VAL 83 N 0.70 0.97 -0.52 1.11 3.04 -2.01 -2.99 116.25 116.56 2kb4 h VAL 83 Ca -0.46 -1.29 -0.38 0.00 -1.01 0.00 0.00 66.70 63.56 2kb4 h VAL 83 Cb 1.26 1.76 -0.29 0.00 -2.01 0.00 0.00 31.29 32.00 2kb4 h VAL 83 CO 0.54 0.33 -0.68 0.41 -1.01 0.00 0.00 177.57 177.17 2kb4 n THR 84 N -3.73 2.46 -2.85 3.17 -1.04 -1.26 -5.03 114.28 105.99 2kb4 n THR 84 Ca -0.01 -3.88 -0.40 0.00 -2.04 0.00 0.00 64.05 57.73 2kb4 n THR 84 Cb 0.43 -0.86 -0.06 0.00 -1.82 0.00 0.00 70.33 68.03 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2kb4 s VAL 85 N -4.17 4.20 0.08 12.58 0.11 -1.13 -4.48 120.40 127.59 2kb4 s VAL 85 Ca 0.47 1.92 0.10 0.00 -2.93 0.00 0.00 61.98 61.54 2kb4 s VAL 85 Cb 0.40 -4.24 -0.03 0.00 -1.53 0.00 0.00 36.38 30.98 2kb4 s VAL 85 CO 0.01 0.50 -0.25 -0.44 -3.33 0.00 0.00 175.10 171.58 2kb4 s SER 86 N -1.18 3.04 0.24 3.54 0.01 -1.26 -4.86 113.70 113.23 2kb4 s SER 86 Ca 0.39 -0.65 -0.31 0.00 1.31 0.00 0.00 55.95 56.68 2kb4 s SER 86 Cb -0.25 -0.23 -0.12 0.00 0.21 0.00 0.00 66.02 65.64 2kb4 s SER 86 CO 0.29 0.19 1.67 -2.11 0.41 0.00 0.00 173.24 173.69 2kb4 n ARG 87 N 1.36 2.75 -3.02 12.44 0.00 -1.26 -2.92 116.66 126.02 2kb4 n ARG 87 Ca -0.18 0.98 -0.05 0.00 -0.00 0.00 0.00 57.85 58.61 2kb4 n ARG 87 Cb 0.53 -2.81 0.00 0.00 -0.00 0.00 0.00 32.46 30.19 2kb4 n ARG 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2kb4 n ARG 88 N 3.19 -1.76 -0.10 2.89 1.74 -1.25 -4.92 116.66 116.45 2kb4 n ARG 88 Ca 0.13 1.72 -0.12 0.00 -0.77 0.00 0.00 57.85 58.81 2kb4 n ARG 88 Cb 0.36 -5.52 -0.04 0.00 -1.02 0.00 0.00 32.46 26.24 2kb4 n ARG 88 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2kb4 n HIS 89 N -1.19 0.00 -4.08 -1.55 -0.00 0.25 -4.00 115.22 104.66 2kb4 n HIS 89 Ca 0.03 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.05 2kb4 n HIS 89 Cb 0.50 -0.57 -0.15 0.00 -0.12 0.00 0.00 29.99 29.65 2kb4 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb4 s ALA 90 N -2.85 0.40 -0.18 1.57 0.00 -0.99 -0.45 121.76 119.26 2kb4 s ALA 90 Ca -0.30 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 2kb4 s ALA 90 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2kb4 s ALA 90 CO 0.44 0.04 -0.01 -2.00 0.00 0.00 0.00 175.76 174.23 2kb4 s GLU 91 N 0.33 3.66 -0.34 0.00 2.12 0.25 -0.46 118.70 124.26 2kb4 s GLU 91 Ca -0.03 -0.51 -0.10 0.00 0.36 0.00 0.00 54.97 54.69 2kb4 s GLU 91 Cb -0.07 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.30 2kb4 s GLU 91 CO -0.00 0.11 0.18 -0.06 -0.54 0.00 0.00 175.26 174.94 2kb4 s PHE 92 N 0.74 3.21 0.08 5.30 0.40 0.78 -1.12 117.98 127.38 2kb4 s PHE 92 Ca -0.00 -0.79 0.08 0.00 -0.60 0.00 0.00 56.93 55.62 2kb4 s PHE 92 Cb -0.14 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 2kb4 s PHE 92 CO 0.02 -0.56 -0.19 0.50 0.70 0.00 0.00 175.22 175.69 2kb4 s ARG 93 N 1.58 1.89 -0.07 0.44 3.52 0.60 -0.15 118.95 126.76 2kb4 s ARG 93 Ca 0.03 -1.10 0.03 0.00 -0.13 0.00 0.00 55.73 54.56 2kb4 s ARG 93 Cb -0.18 -2.13 -0.02 0.00 -1.56 0.00 0.00 34.95 31.06 2kb4 s ARG 93 CO 0.06 0.51 -0.15 -1.50 -0.81 0.00 0.00 175.30 173.41 2kb4 s ILE 94 N -1.02 2.98 0.09 4.11 2.07 -0.82 -0.58 121.20 128.02 2kb4 s ILE 94 Ca 0.16 -0.74 0.09 0.00 -1.41 0.00 0.00 60.65 58.75 2kb4 s ILE 94 Cb -0.10 -2.18 -0.04 0.00 0.13 0.00 0.00 42.46 40.27 2kb4 s ILE 94 CO 0.07 0.58 -0.23 0.21 -1.91 0.00 0.00 174.94 173.66 2kb4 s ASN 95 N -0.47 3.52 0.60 4.50 2.47 0.03 -4.91 114.94 120.68 2kb4 s ASN 95 Ca 0.06 -0.59 0.05 0.00 0.42 0.00 0.00 52.86 52.80 2kb4 s ASN 95 Cb -0.12 -0.40 0.28 0.00 -1.45 0.00 0.00 41.25 39.56 2kb4 s ASN 95 CO 0.02 0.22 1.12 1.05 -3.72 0.00 0.00 177.10 175.78 2kb4 h GLU 96 N 4.22 0.00 0.00 0.43 -0.00 -1.95 -1.63 114.58 115.65 2kb4 h GLU 96 Ca -0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 58.86 2kb4 h GLU 96 Cb 1.16 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.91 2kb4 h GLU 96 CO 0.44 0.00 -1.06 0.41 -0.00 0.00 0.00 179.01 178.80 2kb4 n GLY 97 N -1.41 -0.04 3.82 1.06 0.00 -1.26 -4.90 105.19 102.45 2kb4 n GLY 97 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2kb4 n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kb4 s GLU 98 N -2.03 2.04 -0.11 1.61 2.12 -0.62 -5.09 118.70 116.63 2kb4 s GLU 98 Ca -0.00 -1.29 -0.05 0.00 0.36 0.00 0.00 54.97 53.99 2kb4 s GLU 98 Cb 0.00 0.59 -0.04 0.00 0.26 0.00 0.00 34.13 34.94 2kb4 s GLU 98 CO 0.04 -0.95 0.07 -0.06 -0.54 0.00 0.00 175.26 173.81 2kb4 s PHE 99 N -2.50 3.36 -0.25 5.30 0.40 -0.96 -0.79 117.98 122.55 2kb4 s PHE 99 Ca 0.16 0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 56.78 2kb4 s PHE 99 Cb -0.05 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.60 2kb4 s PHE 99 CO 0.10 0.55 -0.03 -2.00 0.70 0.00 0.00 175.22 174.53 2kb4 s GLU 100 N -0.78 3.07 -0.19 0.44 2.12 0.25 -0.55 118.70 123.06 2kb4 s GLU 100 Ca 0.13 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.63 2kb4 s GLU 100 Cb -0.12 -3.06 0.02 0.00 0.26 0.00 0.00 34.13 31.24 2kb4 s GLU 100 CO 0.03 -0.34 -0.18 0.08 -0.54 0.00 0.00 175.26 174.31 2kb4 s VAL 101 N 1.41 2.16 -0.13 3.70 1.01 0.01 -0.29 120.40 128.28 2kb4 s VAL 101 Ca 0.03 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2kb4 s VAL 101 Cb -0.16 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2kb4 s VAL 101 CO -0.03 0.50 -0.08 0.68 0.00 0.00 0.00 175.10 176.17 2kb4 s VAL 102 N 1.30 3.51 -0.38 2.92 -7.23 -0.27 -0.52 120.40 119.72 2kb4 s VAL 102 Ca 0.04 -0.51 -0.20 0.00 -1.81 0.00 0.00 61.98 59.50 2kb4 s VAL 102 Cb -0.13 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.32 2kb4 s VAL 102 CO -0.12 0.52 0.63 -0.62 -0.31 0.00 0.00 175.10 175.21 2kb4 s ASP 103 N 0.14 6.39 0.00 4.85 2.15 0.00 -0.58 116.67 129.62 2kb4 s ASP 103 Ca -0.04 -0.01 0.06 0.00 0.43 0.00 0.00 52.55 52.99 2kb4 s ASP 103 Cb -0.14 -2.32 0.17 0.00 -0.30 0.00 0.00 42.92 40.33 2kb4 s ASP 103 CO 0.04 -0.64 1.14 1.33 -0.17 0.00 0.00 175.17 176.86 2kb4 n VAL 104 N 5.66 0.99 -2.71 1.11 0.24 0.41 -4.61 118.33 119.42 2kb4 n VAL 104 Ca -0.02 -0.99 -0.21 0.00 -2.04 0.00 0.00 64.34 61.08 2kb4 n VAL 104 Cb 0.48 0.51 -0.00 0.00 -1.47 0.00 0.00 33.84 33.36 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb4 n GLY 105 N 0.07 4.45 0.00 7.63 0.00 0.03 -4.76 105.19 112.62 2kb4 n GLY 105 Ca 0.06 -2.25 0.01 0.00 0.00 0.00 0.00 46.02 43.84 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb4 n SER 106 N -0.23 0.00 -0.19 1.61 7.64 -1.26 -0.37 113.62 120.82 2kb4 n SER 106 Ca 0.28 0.36 -0.04 0.00 1.01 0.00 0.00 58.87 60.48 2kb4 n SER 106 Cb 0.65 -0.38 0.06 0.00 -1.01 0.00 0.00 64.21 63.52 2kb4 n SER 106 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kb4 h LEU 107 N 0.00 0.53 0.00 -3.43 5.85 -1.95 -3.28 115.31 113.03 2kb4 h LEU 107 Ca 0.00 0.01 -0.31 0.00 0.84 0.00 0.00 57.88 58.42 2kb4 h LEU 107 Cb 0.03 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2kb4 h LEU 107 CO 0.00 0.36 -1.96 -3.20 -0.34 0.00 0.00 178.44 173.30 2kb4 n ASN 108 N -4.78 1.94 0.00 1.25 2.85 -0.58 -5.12 115.26 110.82 2kb4 n ASN 108 Ca 0.05 0.35 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 2kb4 n ASN 108 Cb 0.10 -0.81 0.00 0.00 1.24 0.00 0.00 39.78 40.31 2kb4 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kb4 n GLY 109 N 1.33 0.68 3.66 8.20 0.00 0.51 -4.85 105.19 114.71 2kb4 n GLY 109 Ca -0.40 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 2kb4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 110 N -0.84 5.11 -0.16 2.61 2.01 -1.26 -3.71 115.64 119.40 2kb4 s THR 110 Ca 0.00 0.93 -0.07 0.00 0.31 0.00 0.00 61.69 62.86 2kb4 s THR 110 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2kb4 s THR 110 CO 0.00 0.17 0.09 -0.31 -0.69 0.00 0.00 174.62 173.88 2kb4 s TYR 111 N 1.71 3.37 -0.30 4.92 1.51 0.26 -1.96 117.35 126.86 2kb4 s TYR 111 Ca 0.23 0.27 -0.09 0.00 -1.01 0.00 0.00 57.07 56.47 2kb4 s TYR 111 Cb -0.15 -2.02 -0.01 0.00 -0.11 0.00 0.00 41.96 39.67 2kb4 s TYR 111 CO 0.09 0.38 0.13 0.54 -1.11 0.00 0.00 175.55 175.59 2kb4 s VAL 112 N -0.16 4.46 0.00 0.71 0.11 0.90 -0.30 120.40 126.12 2kb4 s VAL 112 Ca 0.09 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2kb4 s VAL 112 Cb -0.12 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 2kb4 s VAL 112 CO 0.01 0.09 0.00 0.59 -3.33 0.00 0.00 175.10 172.46 2kb4 n ASN 113 N 4.96 0.00 0.00 3.54 5.03 0.36 -0.79 115.26 128.36 2kb4 n ASN 113 Ca -0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.31 2kb4 n ASN 113 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kb4 n ARG 114 N 0.00 0.00 -5.08 3.52 1.74 -1.26 -4.65 116.66 110.93 2kb4 n ARG 114 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 2kb4 n ARG 114 Cb 0.00 -0.31 -0.16 0.00 -1.02 0.00 0.00 32.46 30.97 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kb4 s GLU 115 N 0.00 3.14 -0.29 5.56 2.02 0.03 -5.05 118.70 124.11 2kb4 s GLU 115 Ca 0.00 -0.82 -0.29 0.00 0.02 0.00 0.00 54.97 53.88 2kb4 s GLU 115 Cb 0.00 -2.40 0.01 0.00 0.10 0.00 0.00 34.13 31.84 2kb4 s GLU 115 CO 0.00 0.20 1.08 -1.25 0.02 0.00 0.00 175.26 175.31 2kb4 s PRO 116 N 0.32 4.11 0.18 0.39 0.04 -1.26 -0.07 135.00 138.72 2kb4 s PRO 116 Ca -0.16 1.17 0.11 0.00 0.04 0.00 0.00 61.00 62.16 2kb4 s PRO 116 Cb -0.17 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.60 2kb4 s PRO 116 CO 0.08 -0.84 -0.21 1.03 0.04 0.00 0.00 177.00 177.09 2kb4 s ARG 117 N 3.57 1.63 0.18 4.56 1.81 -0.83 -4.98 118.95 124.88 2kb4 s ARG 117 Ca 0.46 -1.45 0.16 0.00 -1.72 0.00 0.00 55.73 53.17 2kb4 s ARG 117 Cb -0.13 -1.92 -0.04 0.00 -0.45 0.00 0.00 34.95 32.41 2kb4 s ARG 117 CO 0.14 0.41 1.16 -0.97 -0.68 0.00 0.00 175.30 175.35 2kb4 h ASN 118 N 3.21 0.00 -3.89 0.23 -0.00 -1.88 -3.40 115.58 109.84 2kb4 h ASN 118 Ca -0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 55.77 2kb4 h ASN 118 Cb 1.20 0.00 -0.22 0.00 -0.00 0.00 0.00 38.32 39.30 2kb4 h ASN 118 CO 0.49 0.54 0.02 0.00 -0.00 0.00 0.00 177.43 178.47 2kb4 s ALA 119 N -2.95 -1.57 0.02 1.57 0.00 -1.26 -0.82 121.76 116.75 2kb4 s ALA 119 Ca 0.01 1.81 -0.01 0.00 0.00 0.00 0.00 51.96 53.77 2kb4 s ALA 119 Cb 0.08 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 2kb4 s ALA 119 CO 0.78 -0.30 -0.01 -1.14 0.00 0.00 0.00 175.76 175.09 2kb4 s GLN 120 N 0.44 0.31 -0.43 0.00 2.00 0.33 -4.98 119.66 117.32 2kb4 s GLN 120 Ca -0.01 -0.54 -0.11 0.00 -2.00 0.00 0.00 55.36 52.70 2kb4 s GLN 120 Cb -0.05 0.11 0.08 0.00 0.80 0.00 0.00 33.01 33.95 2kb4 s GLN 120 CO -0.01 -0.05 0.30 0.08 -0.50 0.00 0.00 175.29 175.11 2kb4 s VAL 121 N -1.34 4.55 0.09 1.34 1.01 -1.26 -0.81 120.40 123.99 2kb4 s VAL 121 Ca -0.15 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.57 2kb4 s VAL 121 Cb -0.09 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2kb4 s VAL 121 CO -0.01 -0.53 0.15 -0.04 0.00 0.00 0.00 175.10 174.68 2kb4 s MET 122 N 1.50 3.11 0.16 2.72 -1.94 0.29 -4.96 119.30 120.18 2kb4 s MET 122 Ca 0.03 -0.63 0.08 0.00 -1.71 0.00 0.00 55.69 53.46 2kb4 s MET 122 Cb -0.23 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 2kb4 s MET 122 CO 0.04 0.56 -0.09 -1.14 -0.01 0.00 0.00 175.02 174.37 2kb4 s GLN 123 N -2.63 2.08 0.01 2.03 0.74 -1.26 -2.27 119.66 118.36 2kb4 s GLN 123 Ca 0.32 -1.20 -0.30 0.00 0.05 0.00 0.00 55.36 54.22 2kb4 s GLN 123 Cb -0.12 -2.20 -0.04 0.00 1.10 0.00 0.00 33.01 31.75 2kb4 s GLN 123 CO 0.25 0.45 1.07 0.95 -0.55 0.00 0.00 175.29 177.46 2kb4 s THR 124 N -1.58 4.54 0.00 -0.34 -4.23 -1.26 -3.26 115.64 109.50 2kb4 s THR 124 Ca 0.24 1.82 0.00 0.00 -1.18 0.00 0.00 61.69 62.57 2kb4 s THR 124 Cb -0.09 -4.17 0.00 0.00 1.34 0.00 0.00 72.50 69.58 2kb4 s THR 124 CO 0.15 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 2kb4 n GLY 125 N 3.05 1.23 3.81 3.99 0.00 0.18 -4.60 105.19 112.85 2kb4 n GLY 125 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 2kb4 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb4 s ASP 126 N -1.90 4.79 -0.08 1.61 2.15 -0.95 -4.92 116.67 117.38 2kb4 s ASP 126 Ca 0.00 -0.86 -0.00 0.00 0.43 0.00 0.00 52.55 52.11 2kb4 s ASP 126 Cb 0.00 -0.57 -0.03 0.00 -0.30 0.00 0.00 42.92 42.02 2kb4 s ASP 126 CO 0.00 -0.57 -0.03 -0.70 -0.17 0.00 0.00 175.17 173.70 2kb4 s GLU 127 N -4.01 2.86 -0.07 4.34 2.12 -1.26 -1.18 118.70 121.50 2kb4 s GLU 127 Ca 0.44 -0.48 0.03 0.00 0.36 0.00 0.00 54.97 55.33 2kb4 s GLU 127 Cb -0.01 -2.69 0.01 0.00 0.26 0.00 0.00 34.13 31.70 2kb4 s GLU 127 CO 0.25 0.68 -0.17 0.42 -0.54 0.00 0.00 175.26 175.90 2kb4 s ILE 128 N -0.84 1.50 -0.18 -3.70 1.01 0.62 -0.49 121.20 119.13 2kb4 s ILE 128 Ca 0.13 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 2kb4 s ILE 128 Cb -0.11 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 2kb4 s ILE 128 CO 0.02 0.43 -0.10 -1.10 0.00 0.00 0.00 174.94 174.19 2kb4 s GLN 129 N 0.41 3.33 -0.45 2.79 -0.21 0.59 -0.08 119.66 126.04 2kb4 s GLN 129 Ca -0.13 -0.68 -0.07 0.00 0.02 0.00 0.00 55.36 54.49 2kb4 s GLN 129 Cb -0.16 -2.79 0.12 0.00 1.00 0.00 0.00 33.01 31.18 2kb4 s GLN 129 CO 0.05 -0.03 0.31 0.42 -2.12 0.00 0.00 175.29 173.92 2kb4 s ILE 130 N 0.99 3.96 0.00 1.08 1.01 0.67 -0.57 121.20 128.34 2kb4 s ILE 130 Ca -0.01 -1.86 0.00 0.00 0.00 0.00 0.00 60.65 58.78 2kb4 s ILE 130 Cb -0.15 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2kb4 s ILE 130 CO -0.01 -0.75 0.00 0.61 0.00 0.00 0.00 174.94 174.79 2kb4 n GLY 131 N 4.83 1.31 0.00 6.18 0.00 -1.24 -0.97 105.19 115.30 2kb4 n GLY 131 Ca -0.06 0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2kb4 n GLY 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kb4 n LYS 132 N 0.00 5.01 -4.14 1.61 3.00 -1.26 -5.00 118.16 117.38 2kb4 n LYS 132 Ca 0.00 -0.02 -0.34 0.00 -0.00 0.00 0.00 58.31 57.95 2kb4 n LYS 132 Cb 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 35.03 34.18 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2kb4 s PHE 133 N -1.52 3.31 -0.18 5.64 0.08 -0.14 -5.04 117.98 120.13 2kb4 s PHE 133 Ca 0.02 0.27 -0.05 0.00 0.12 0.00 0.00 56.93 57.29 2kb4 s PHE 133 Cb 0.04 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 2kb4 s PHE 133 CO 0.23 0.56 0.01 0.50 -0.10 0.00 0.00 175.22 176.43 2kb4 s ARG 134 N -1.33 3.78 0.05 0.44 3.52 -1.03 -0.24 118.95 124.14 2kb4 s ARG 134 Ca 0.18 -0.45 0.08 0.00 -0.13 0.00 0.00 55.73 55.41 2kb4 s ARG 134 Cb -0.12 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 2kb4 s ARG 134 CO 0.08 0.20 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.39 2kb4 s LEU 135 N 0.51 2.17 -0.05 -0.88 2.96 0.88 -1.39 118.68 122.88 2kb4 s LEU 135 Ca -0.00 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.42 2kb4 s LEU 135 Cb -0.14 -1.02 -0.01 0.00 0.50 0.00 0.00 46.19 45.53 2kb4 s LEU 135 CO 0.02 0.17 -0.21 0.54 -1.32 0.00 0.00 176.35 175.55 2kb4 s VAL 136 N -0.82 1.72 -0.24 1.68 0.11 -0.34 -0.27 120.40 122.25 2kb4 s VAL 136 Ca 0.08 -0.88 -0.04 0.00 -2.93 0.00 0.00 61.98 58.21 2kb4 s VAL 136 Cb -0.09 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.29 2kb4 s VAL 136 CO 0.02 0.49 -0.03 0.12 -3.33 0.00 0.00 175.10 172.37 2kb4 s PHE 137 N -0.05 3.00 0.33 1.54 2.19 -0.32 -0.89 117.98 123.77 2kb4 s PHE 137 Ca -0.04 -1.06 0.09 0.00 0.33 0.00 0.00 56.93 56.25 2kb4 s PHE 137 Cb -0.13 -2.12 -0.06 0.00 -1.31 0.00 0.00 43.02 39.41 2kb4 s PHE 137 CO 0.03 -0.59 -0.10 -0.51 1.83 0.00 0.00 175.22 175.88 2kb4 s LEU 138 N 1.45 2.68 0.39 6.12 1.02 0.99 0.49 118.68 131.83 2kb4 s LEU 138 Ca 0.04 -1.18 -0.24 0.00 0.02 0.00 0.00 54.13 52.77 2kb4 s LEU 138 Cb -0.15 -0.95 -0.09 0.00 0.02 0.00 0.00 46.19 45.02 2kb4 s LEU 138 CO -0.03 -0.20 1.05 0.00 0.02 0.00 0.00 176.35 177.19 2kb4 s ALA 139 N -2.66 3.10 0.51 4.21 0.00 -1.26 -1.15 121.76 124.50 2kb4 s ALA 139 Ca 0.32 0.71 0.07 0.00 0.00 0.00 0.00 51.96 53.05 2kb4 s ALA 139 Cb 0.02 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.94 2kb4 s ALA 139 CO 0.16 -0.21 0.58 0.41 0.00 0.00 0.00 175.76 176.70 2kb4 n GLY 140 N 0.37 2.27 3.78 0.00 0.00 -1.05 -4.55 105.19 106.01 2kb4 n GLY 140 Ca 0.05 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 2kb4 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kb4 s PRO 141 N -4.21 3.54 -0.39 1.61 0.04 -1.26 -4.87 135.00 129.46 2kb4 s PRO 141 Ca 0.44 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 2kb4 s PRO 141 Cb -0.04 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.39 2kb4 s PRO 141 CO 0.28 -0.70 1.01 0.00 0.04 0.00 0.00 177.00 177.64 2kb4 s ALA 142 N -1.74 3.36 -2.67 8.56 0.00 -1.26 -4.49 121.76 123.51 2kb4 s ALA 142 Ca 0.69 -0.38 0.27 0.00 0.00 0.00 0.00 51.96 52.54 2kb4 s ALA 142 Cb -0.24 -3.66 0.75 0.00 0.00 0.00 0.00 23.12 19.97 2kb4 s ALA 142 CO 0.28 -1.76 1.58 -1.91 0.00 0.00 0.00 175.76 173.94