#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 0.07 -3.35 3.17 0.87 -2.12 -3.46 113.55 108.72 2kb4 h SER 2 Ca 0.00 -0.89 -0.68 0.00 -1.23 0.00 0.00 61.79 58.99 2kb4 h SER 2 Cb 0.00 -0.02 -0.16 0.00 -0.44 0.00 0.00 62.40 61.78 2kb4 h SER 2 CO 0.00 1.17 -0.63 -0.62 -0.53 0.00 0.00 176.83 176.22 2kb4 s ASP 3 N -6.46 5.16 -0.27 6.23 2.15 -1.26 -5.08 116.67 117.15 2kb4 s ASP 3 Ca -0.20 0.11 -0.15 0.00 0.43 0.00 0.00 52.55 52.74 2kb4 s ASP 3 Cb -0.01 -1.48 -0.04 0.00 -0.30 0.00 0.00 42.92 41.10 2kb4 s ASP 3 CO 0.69 0.36 0.38 0.21 -0.17 0.00 0.00 175.17 176.63 2kb4 s ASN 4 N -0.76 6.26 0.05 -0.34 3.84 -1.26 -5.05 114.94 117.68 2kb4 s ASN 4 Ca 0.12 0.30 0.08 0.00 0.21 0.00 0.00 52.86 53.57 2kb4 s ASN 4 Cb -0.11 -2.21 -0.03 0.00 -0.55 0.00 0.00 41.25 38.34 2kb4 s ASN 4 CO 0.02 -0.19 -0.22 0.20 -2.79 0.00 0.00 177.10 174.12 2kb4 s ASN 5 N 1.63 3.51 0.00 -4.21 0.01 -1.26 -4.73 114.94 109.90 2kb4 s ASN 5 Ca 0.15 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 2kb4 s ASN 5 Cb -0.16 -0.45 0.00 0.00 0.41 0.00 0.00 41.25 41.06 2kb4 s ASN 5 CO 0.10 0.25 0.00 0.61 -1.51 0.00 0.00 177.10 176.55 2kb4 n GLY 6 N 1.55 0.70 3.65 0.66 0.00 -1.26 -5.06 105.19 105.42 2kb4 n GLY 6 Ca -0.17 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 2kb4 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 7 N -1.97 5.11 0.11 2.61 2.01 -1.26 -5.04 115.64 117.20 2kb4 s THR 7 Ca 0.00 0.89 -0.31 0.00 0.31 0.00 0.00 61.69 62.58 2kb4 s THR 7 Cb 0.00 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 2kb4 s THR 7 CO 0.00 0.16 1.47 -2.16 -0.69 0.00 0.00 174.62 173.39 2kb4 s PRO 8 N 1.82 4.28 -0.40 4.92 0.04 -1.26 -4.96 135.00 139.43 2kb4 s PRO 8 Ca 0.22 2.16 -0.29 0.00 0.04 0.00 0.00 61.00 63.14 2kb4 s PRO 8 Cb -0.15 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2kb4 s PRO 8 CO 0.09 -0.53 1.49 -1.21 0.04 0.00 0.00 177.00 176.88 2kb4 s GLU 9 N 1.42 3.51 0.13 4.56 2.02 -1.26 -4.95 118.70 124.13 2kb4 s GLU 9 Ca 0.67 1.00 -0.30 0.00 0.02 0.00 0.00 54.97 56.36 2kb4 s GLU 9 Cb -0.38 -4.07 -0.07 0.00 0.10 0.00 0.00 34.13 29.71 2kb4 s GLU 9 CO 0.30 -1.65 1.20 -1.25 0.02 0.00 0.00 175.26 173.89 2kb4 s PRO 10 N 5.12 4.46 -0.26 0.39 0.04 -1.26 -5.01 135.00 138.48 2kb4 s PRO 10 Ca 0.64 1.84 -0.05 0.00 0.04 0.00 0.00 61.00 63.47 2kb4 s PRO 10 Cb -0.15 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2kb4 s PRO 10 CO 0.33 -0.16 0.02 1.14 0.04 0.00 0.00 177.00 178.36 2kb4 s GLN 11 N 0.34 3.17 -1.00 4.56 -2.07 -1.26 -5.03 119.66 118.37 2kb4 s GLN 11 Ca 0.56 -0.78 -0.20 0.00 -1.82 0.00 0.00 55.36 53.12 2kb4 s GLN 11 Cb -0.31 -3.21 0.10 0.00 -1.09 0.00 0.00 33.01 28.50 2kb4 s GLN 11 CO 0.33 -0.35 1.28 0.54 -1.32 0.00 0.00 175.29 175.78 2kb4 s VAL 12 N 1.47 4.46 -0.14 3.63 0.11 -1.26 -4.92 120.40 123.75 2kb4 s VAL 12 Ca 0.03 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 57.68 2kb4 s VAL 12 Cb -0.16 -4.90 0.02 0.00 -1.53 0.00 0.00 36.38 29.81 2kb4 s VAL 12 CO -0.00 -1.68 -0.13 -0.70 -3.33 0.00 0.00 175.10 169.26 2kb4 s GLU 13 N 3.42 2.14 -0.43 1.54 2.12 -1.26 -5.09 118.70 121.15 2kb4 s GLU 13 Ca 0.39 -0.50 -0.03 0.00 0.36 0.00 0.00 54.97 55.19 2kb4 s GLU 13 Cb -0.03 -1.99 0.11 0.00 0.26 0.00 0.00 34.13 32.49 2kb4 s GLU 13 CO -0.08 -0.23 0.22 0.99 -0.54 0.00 0.00 175.26 175.62 2kb4 s THR 14 N 1.50 3.28 -0.60 -1.70 2.01 -1.26 -4.79 115.64 114.08 2kb4 s THR 14 Ca 0.04 -2.17 0.15 0.00 0.31 0.00 0.00 61.69 60.02 2kb4 s THR 14 Cb -0.13 -3.25 -0.18 0.00 0.01 0.00 0.00 72.50 68.96 2kb4 s THR 14 CO -0.10 -0.71 0.59 0.41 -0.69 0.00 0.00 174.62 174.12 2kb4 n THR 15 N 4.46 0.00 -2.68 -0.82 -1.04 -1.26 -4.81 114.28 108.12 2kb4 n THR 15 Ca -0.01 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.40 2kb4 n THR 15 Cb 0.41 0.87 -0.03 0.00 -1.82 0.00 0.00 70.33 69.75 2kb4 n THR 15 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2kb4 s SER 16 N -2.63 6.47 -0.04 8.00 0.15 -1.26 -4.94 113.70 119.45 2kb4 s SER 16 Ca 0.04 -1.47 0.01 0.00 0.70 0.00 0.00 55.95 55.23 2kb4 s SER 16 Cb 0.11 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.93 2kb4 s SER 16 CO 0.62 -1.42 -0.05 -0.69 1.20 0.00 0.00 173.24 172.91 2kb4 s VAL 17 N 4.35 0.53 0.03 4.45 1.01 -1.26 -5.14 120.40 124.38 2kb4 s VAL 17 Ca 0.39 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.29 2kb4 s VAL 17 Cb -0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 2kb4 s VAL 17 CO -0.06 0.22 -0.17 0.72 0.00 0.00 0.00 175.10 175.82 2kb4 s PHE 18 N 0.82 1.45 -0.70 5.22 -0.71 -1.26 -5.01 117.98 117.79 2kb4 s PHE 18 Ca -0.11 -0.35 -0.02 0.00 -1.04 0.00 0.00 56.93 55.41 2kb4 s PHE 18 Cb -0.14 -0.87 0.43 0.00 -1.21 0.00 0.00 43.02 41.23 2kb4 s PHE 18 CO 0.00 0.05 2.04 0.54 -1.34 0.00 0.00 175.22 176.51 2kb4 n ARG 19 N 1.99 2.70 -1.28 1.99 1.74 -1.26 -4.69 116.66 117.85 2kb4 n ARG 19 Ca -0.17 -3.33 -0.10 0.00 -0.77 0.00 0.00 57.85 53.48 2kb4 n ARG 19 Cb 0.54 -2.29 -0.04 0.00 -1.02 0.00 0.00 32.46 29.65 2kb4 n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kb4 n ALA 20 N -0.86 -0.15 -0.18 7.54 0.00 -1.26 -4.93 120.51 120.68 2kb4 n ALA 20 Ca 0.62 0.16 -0.01 0.00 0.00 0.00 0.00 53.44 54.20 2kb4 n ALA 20 Cb 0.59 -1.26 0.06 0.00 0.00 0.00 0.00 19.45 18.84 2kb4 n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2kb4 h ASP 21 N 0.00 -0.38 -0.40 0.00 3.32 -1.97 -1.55 116.42 115.45 2kb4 h ASP 21 Ca -0.20 0.15 -0.17 0.00 0.02 0.00 0.00 57.03 56.83 2kb4 h ASP 21 Cb 0.70 0.29 -0.10 0.00 0.22 0.00 0.00 39.33 40.43 2kb4 h ASP 21 CO 0.29 -0.14 0.01 0.00 -1.72 0.00 0.00 179.24 177.68 2kb4 n LEU 22 N -5.32 4.34 -4.15 1.55 -0.00 -1.26 -4.85 117.00 107.31 2kb4 n LEU 22 Ca 0.06 -3.58 -0.38 0.00 -0.00 0.00 0.00 56.01 52.11 2kb4 n LEU 22 Cb 0.30 -0.64 -0.10 0.00 -0.00 0.00 0.00 43.42 42.99 2kb4 n LEU 22 CO 0.11 1.10 -0.04 -0.22 -0.00 0.00 0.00 177.39 178.34 2kb4 s LEU 23 N -3.15 5.47 0.00 1.47 0.20 -0.58 -4.86 118.68 117.23 2kb4 s LEU 23 Ca 0.45 -2.24 0.00 0.00 0.69 0.00 0.00 54.13 53.03 2kb4 s LEU 23 Cb 0.40 -1.91 0.00 0.00 -0.43 0.00 0.00 46.19 44.25 2kb4 s LEU 23 CO 0.03 -0.55 0.00 2.29 -0.29 0.00 0.00 176.35 177.83 2kb4 n LYS 24 N 4.38 0.00 -3.78 1.98 2.85 -1.26 -4.97 118.16 117.36 2kb4 n LYS 24 Ca -0.01 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 2kb4 n LYS 24 Cb 0.41 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.65 2kb4 n LYS 24 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2kb4 s GLU 25 N -0.83 1.47 -0.09 -1.58 2.02 -1.26 -5.09 118.70 113.34 2kb4 s GLU 25 Ca 0.00 -2.15 -0.16 0.00 0.02 0.00 0.00 54.97 52.67 2kb4 s GLU 25 Cb 0.00 -2.62 -0.05 0.00 0.10 0.00 0.00 34.13 31.57 2kb4 s GLU 25 CO 0.00 -1.14 0.42 -1.64 0.02 0.00 0.00 175.26 172.92 2kb4 s MET 26 N 0.21 4.20 -0.62 1.61 -1.94 -1.26 -5.01 119.30 116.49 2kb4 s MET 26 Ca 0.17 0.37 -0.28 0.00 -1.71 0.00 0.00 55.69 54.25 2kb4 s MET 26 Cb -0.25 -3.37 0.02 0.00 2.01 0.00 0.00 34.83 33.25 2kb4 s MET 26 CO -0.00 0.34 1.29 -1.21 -0.01 0.00 0.00 175.02 175.43 2kb4 s GLU 27 N 0.07 3.35 -1.04 2.03 0.41 -1.26 -4.94 118.70 117.32 2kb4 s GLU 27 Ca 0.23 0.18 -0.23 0.00 -0.41 0.00 0.00 54.97 54.74 2kb4 s GLU 27 Cb -0.15 -4.10 0.05 0.00 -1.78 0.00 0.00 34.13 28.15 2kb4 s GLU 27 CO 0.10 -1.91 1.49 -1.54 -0.49 0.00 0.00 175.26 172.91 2kb4 s SER 28 N 3.70 6.48 -0.12 -0.19 1.04 -1.26 -4.39 113.70 118.95 2kb4 s SER 28 Ca 0.44 -1.50 -0.04 0.00 0.48 0.00 0.00 55.95 55.32 2kb4 s SER 28 Cb -0.09 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.48 2kb4 s SER 28 CO 0.22 -1.53 0.08 -0.24 0.98 0.00 0.00 173.24 172.76 2kb4 n SER 29 N 9.02 -2.54 -4.19 7.02 2.88 -1.26 -5.05 113.62 119.50 2kb4 n SER 29 Ca 0.34 0.71 -0.32 0.00 -1.33 0.00 0.00 58.87 58.27 2kb4 n SER 29 Cb 0.50 -3.20 -0.17 0.00 -0.75 0.00 0.00 64.21 60.60 2kb4 n SER 29 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2kb4 s THR 30 N -0.52 2.04 0.00 2.46 -1.32 -1.26 -5.07 115.64 111.97 2kb4 s THR 30 Ca -0.10 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.39 2kb4 s THR 30 Cb 0.01 -1.78 0.00 0.00 -1.51 0.00 0.00 72.50 69.21 2kb4 s THR 30 CO 0.41 0.55 0.00 0.61 -2.21 0.00 0.00 174.62 173.98 2kb4 n GLY 31 N 3.79 4.44 3.65 6.08 0.00 -1.26 -5.16 105.19 116.73 2kb4 n GLY 31 Ca -0.20 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 2kb4 n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb4 s THR 32 N 0.63 3.77 -0.37 2.61 -1.32 -1.26 -5.08 115.64 114.61 2kb4 s THR 32 Ca 0.00 -1.20 -0.28 0.00 -1.21 0.00 0.00 61.69 59.00 2kb4 s THR 32 Cb 0.00 -2.82 0.02 0.00 -1.51 0.00 0.00 72.50 68.19 2kb4 s THR 32 CO 0.00 0.04 1.03 0.00 -2.21 0.00 0.00 174.62 173.48 2kb4 s ALA 33 N -1.43 3.39 -0.36 11.08 0.00 -1.26 -5.00 121.76 128.18 2kb4 s ALA 33 Ca 0.25 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 2kb4 s ALA 33 Cb -0.11 -3.67 0.02 0.00 0.00 0.00 0.00 23.12 19.36 2kb4 s ALA 33 CO 0.17 -1.71 1.10 -1.25 0.00 0.00 0.00 175.76 174.08 2kb4 s PRO 34 N 3.76 3.97 -0.40 0.00 0.05 -1.26 -4.99 135.00 136.13 2kb4 s PRO 34 Ca 0.43 0.94 -0.17 0.00 0.05 0.00 0.00 61.00 62.26 2kb4 s PRO 34 Cb -0.11 -3.79 0.01 0.00 0.05 0.00 0.00 34.50 30.66 2kb4 s PRO 34 CO 0.20 -1.04 0.41 0.00 0.05 0.00 0.00 177.00 176.62 2kb4 s ALA 35 N 3.90 3.45 -0.58 8.56 0.00 -1.26 -5.02 121.76 130.81 2kb4 s ALA 35 Ca 0.46 -1.43 -0.28 0.00 0.00 0.00 0.00 51.96 50.72 2kb4 s ALA 35 Cb -0.11 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.05 2kb4 s ALA 35 CO 0.20 -1.43 1.35 -1.12 0.00 0.00 0.00 175.76 174.77 2kb4 s SER 36 N 1.78 6.20 -1.16 0.00 0.01 -1.26 -4.92 113.70 114.36 2kb4 s SER 36 Ca 0.12 0.18 -0.17 0.00 1.31 0.00 0.00 55.95 57.39 2kb4 s SER 36 Cb -0.17 -2.55 0.12 0.00 0.21 0.00 0.00 66.02 63.64 2kb4 s SER 36 CO 0.13 -1.67 1.45 -0.89 0.41 0.00 0.00 173.24 172.67 2kb4 s THR 37 N 5.80 4.62 -0.30 1.44 2.01 -1.26 -4.38 115.64 123.57 2kb4 s THR 37 Ca 0.49 -2.05 0.18 0.00 0.31 0.00 0.00 61.69 60.62 2kb4 s THR 37 Cb -0.10 -4.97 0.48 0.00 0.01 0.00 0.00 72.50 67.92 2kb4 s THR 37 CO 0.24 -1.74 1.07 0.61 -0.69 0.00 0.00 174.62 174.12 2kb4 n GLY 38 N 5.01 2.67 0.31 4.40 0.00 -1.26 -4.91 105.19 111.40 2kb4 n GLY 38 Ca 0.37 -1.49 0.19 0.00 0.00 0.00 0.00 46.02 45.09 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 2.67 1.06 -0.58 4.61 0.00 -1.84 -1.07 119.26 124.12 2kb4 h ALA 39 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2kb4 h ALA 39 Cb 1.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2kb4 h ALA 39 CO 0.41 0.02 0.26 0.93 0.00 0.00 0.00 179.25 180.87 2kb4 h GLU 40 N 0.00 0.83 0.00 0.00 4.39 -1.92 -2.44 114.58 115.44 2kb4 h GLU 40 Ca -0.00 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.47 2kb4 h GLU 40 Cb 0.21 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2kb4 h GLU 40 CO 0.00 0.66 -0.56 -0.91 -1.16 0.00 0.00 179.01 177.04 2kb4 h ASN 41 N 0.83 0.00 -3.59 1.42 4.21 -1.61 -3.42 115.58 113.42 2kb4 h ASN 41 Ca 0.20 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 57.08 2kb4 h ASN 41 Cb 0.12 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 37.19 2kb4 h ASN 41 CO -0.02 0.56 0.27 -0.76 -1.29 0.00 0.00 177.43 176.19 2kb4 s LEU 42 N -7.32 4.29 0.00 1.61 2.01 -0.92 -4.90 118.68 113.45 2kb4 s LEU 42 Ca -0.00 -0.05 0.31 0.00 0.01 0.00 0.00 54.13 54.40 2kb4 s LEU 42 Cb 0.12 -2.89 1.69 0.00 0.01 0.00 0.00 46.19 45.12 2kb4 s LEU 42 CO 0.74 -0.80 2.11 -2.65 1.01 0.00 0.00 176.35 176.75 2kb4 n PRO 43 N 6.45 1.15 -3.51 1.29 -0.02 -1.26 -4.53 135.00 134.57 2kb4 n PRO 43 Ca 0.01 -0.24 -0.19 0.00 -2.02 0.00 0.00 63.50 61.06 2kb4 n PRO 43 Cb 0.48 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.33 2kb4 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb4 s ALA 44 N -2.02 -0.18 -0.40 3.55 0.00 -1.26 -4.99 121.76 116.46 2kb4 s ALA 44 Ca 0.45 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.68 2kb4 s ALA 44 Cb 0.22 -1.27 0.43 0.00 0.00 0.00 0.00 23.12 22.50 2kb4 s ALA 44 CO 0.36 -1.19 1.11 0.41 0.00 0.00 0.00 175.76 176.45 2kb4 n GLY 45 N 5.31 5.52 3.21 0.00 0.00 -1.26 -5.01 105.19 112.96 2kb4 n GLY 45 Ca -0.06 -2.56 -0.14 0.00 0.00 0.00 0.00 46.02 43.27 2kb4 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 s SER 46 N -3.52 1.55 0.20 1.61 0.01 -1.26 -4.32 113.70 107.98 2kb4 s SER 46 Ca 0.46 -0.93 -0.23 0.00 1.31 0.00 0.00 55.95 56.56 2kb4 s SER 46 Cb 0.41 0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.70 2kb4 s SER 46 CO -0.12 -0.32 0.78 0.00 0.41 0.00 0.00 173.24 173.98 2kb4 s ALA 47 N -3.02 -1.45 0.10 1.44 0.00 -1.26 -4.55 121.76 113.03 2kb4 s ALA 47 Ca 0.11 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.15 2kb4 s ALA 47 Cb 0.01 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 2kb4 s ALA 47 CO -0.01 -0.97 -0.08 -0.48 0.00 0.00 0.00 175.76 174.23 2kb4 s LEU 48 N -2.86 2.47 -0.08 0.00 2.34 0.78 -0.45 118.68 120.89 2kb4 s LEU 48 Ca 0.09 -0.93 0.03 0.00 0.06 0.00 0.00 54.13 53.37 2kb4 s LEU 48 Cb -0.04 -0.17 -0.02 0.00 -0.56 0.00 0.00 46.19 45.40 2kb4 s LEU 48 CO 0.01 -0.38 -0.14 -1.48 -1.06 0.00 0.00 176.35 173.29 2kb4 s LEU 49 N -2.83 2.69 -0.13 1.48 0.05 0.75 -1.08 118.68 119.62 2kb4 s LEU 49 Ca 0.10 -0.26 0.02 0.00 0.05 0.00 0.00 54.13 54.04 2kb4 s LEU 49 Cb 0.02 -1.56 0.01 0.00 -2.05 0.00 0.00 46.19 42.61 2kb4 s LEU 49 CO -0.02 0.28 -0.20 -0.69 -0.55 0.00 0.00 176.35 175.17 2kb4 s VAL 50 N -0.35 1.88 -0.34 1.48 1.01 0.62 -0.45 120.40 124.25 2kb4 s VAL 50 Ca 0.03 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 2kb4 s VAL 50 Cb -0.12 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 2kb4 s VAL 50 CO 0.02 0.52 0.55 -0.69 0.00 0.00 0.00 175.10 175.50 2kb4 s VAL 51 N 0.88 4.99 -0.02 2.92 1.01 -0.84 -0.09 120.40 129.26 2kb4 s VAL 51 Ca -0.07 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.36 2kb4 s VAL 51 Cb -0.15 -3.98 -0.28 0.00 0.00 0.00 0.00 36.38 31.97 2kb4 s VAL 51 CO -0.02 -0.20 0.78 0.50 0.00 0.00 0.00 175.10 176.16 2kb4 h LYS 52 N 8.40 0.27 -2.31 2.72 3.64 -1.78 -3.33 116.57 124.18 2kb4 h LYS 52 Ca -0.28 -0.46 -0.03 0.00 -1.27 0.00 0.00 60.65 58.62 2kb4 h LYS 52 Cb 1.12 0.17 -0.24 0.00 -0.41 0.00 0.00 32.23 32.87 2kb4 h LYS 52 CO 0.78 1.13 -0.26 0.50 -2.27 0.00 0.00 179.45 179.34 2kb4 s ARG 53 N -2.60 0.44 0.00 1.90 6.06 -1.14 -5.01 118.95 118.60 2kb4 s ARG 53 Ca -0.11 1.18 0.00 0.00 -2.50 0.00 0.00 55.73 54.30 2kb4 s ARG 53 Cb 0.07 0.49 0.00 0.00 0.06 0.00 0.00 34.95 35.56 2kb4 s ARG 53 CO 0.85 -0.22 0.00 0.41 -2.50 0.00 0.00 175.30 173.84 2kb4 n GLY 54 N 5.27 3.60 0.00 8.12 0.00 -1.26 -1.21 105.19 119.72 2kb4 n GLY 54 Ca -0.11 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.90 0.00 0.21 1.61 -0.02 -1.25 -2.80 135.00 131.86 2kb4 n PRO 55 Ca 0.00 0.29 -0.15 0.00 -2.02 0.00 0.00 63.50 61.62 2kb4 n PRO 55 Cb 0.00 -1.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 2kb4 n PRO 55 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2kb4 h ASN 56 N 0.00 -0.48 -5.21 2.55 7.08 -1.50 -3.40 115.58 114.62 2kb4 h ASN 56 Ca 0.00 0.03 0.11 0.00 -3.08 0.00 0.00 56.30 53.35 2kb4 h ASN 56 Cb 0.22 0.14 -0.04 0.00 -2.08 0.00 0.00 38.32 36.55 2kb4 h ASN 56 CO 0.00 -0.32 0.42 0.00 -2.08 0.00 0.00 177.43 175.44 2kb4 s ALA 57 N -6.11 -1.34 -0.40 4.14 0.00 -1.12 -4.11 121.76 112.82 2kb4 s ALA 57 Ca -0.16 -0.29 0.07 0.00 0.00 0.00 0.00 51.96 51.58 2kb4 s ALA 57 Cb 0.05 0.72 0.32 0.00 0.00 0.00 0.00 23.12 24.21 2kb4 s ALA 57 CO 0.64 -1.04 1.25 0.41 0.00 0.00 0.00 175.76 177.02 2kb4 n GLY 58 N -0.54 0.59 3.54 0.00 0.00 -1.26 -4.03 105.19 103.49 2kb4 n GLY 58 Ca -0.05 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 s ALA 59 N 0.19 0.51 -0.13 4.61 0.00 -1.25 -4.93 121.76 120.77 2kb4 s ALA 59 Ca 0.20 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 2kb4 s ALA 59 Cb 0.31 1.08 -0.04 0.00 0.00 0.00 0.00 23.12 24.47 2kb4 s ALA 59 CO -0.08 -0.82 0.09 -0.98 0.00 0.00 0.00 175.76 173.97 2kb4 s ARG 60 N -2.94 3.45 -0.05 0.00 1.70 -1.26 -1.98 118.95 117.87 2kb4 s ARG 60 Ca 0.28 -0.24 0.01 0.00 -0.47 0.00 0.00 55.73 55.31 2kb4 s ARG 60 Cb -0.01 -3.11 0.02 0.00 -0.57 0.00 0.00 34.95 31.28 2kb4 s ARG 60 CO 0.19 0.65 -0.07 -0.06 -1.08 0.00 0.00 175.30 174.93 2kb4 s PHE 61 N -0.69 0.99 -0.12 5.89 0.08 0.40 -4.99 117.98 119.54 2kb4 s PHE 61 Ca 0.12 -0.32 -0.21 0.00 0.12 0.00 0.00 56.93 56.64 2kb4 s PHE 61 Cb -0.12 -0.80 -0.03 0.00 -0.57 0.00 0.00 43.02 41.50 2kb4 s PHE 61 CO 0.03 -0.22 0.61 -1.17 -0.10 0.00 0.00 175.22 174.37 2kb4 s LEU 62 N 0.81 4.25 -0.31 -0.37 2.96 -1.26 -0.18 118.68 124.58 2kb4 s LEU 62 Ca -0.13 0.97 -0.29 0.00 -0.22 0.00 0.00 54.13 54.47 2kb4 s LEU 62 Cb -0.15 -2.91 0.01 0.00 0.50 0.00 0.00 46.19 43.64 2kb4 s LEU 62 CO 0.01 -0.13 1.20 -0.76 -1.32 0.00 0.00 176.35 175.36 2kb4 s LEU 63 N 1.08 3.90 0.10 -0.68 2.01 0.41 -4.65 118.68 120.85 2kb4 s LEU 63 Ca 0.32 1.12 0.00 0.00 0.01 0.00 0.00 54.13 55.57 2kb4 s LEU 63 Cb -0.16 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.49 2kb4 s LEU 63 CO 0.13 -1.00 0.00 -0.67 1.01 0.00 0.00 176.35 175.83 2kb4 n ASP 64 N 7.30 -0.27 -4.67 2.29 2.03 -1.26 -4.16 116.55 117.81 2kb4 n ASP 64 Ca 0.13 0.18 -0.42 0.00 0.52 0.00 0.00 54.79 55.20 2kb4 n ASP 64 Cb 0.47 0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 41.21 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2kb4 s GLN 65 N -2.00 4.22 0.25 -0.67 0.74 -1.26 -4.91 119.66 116.02 2kb4 s GLN 65 Ca 0.00 2.02 -0.13 0.00 0.05 0.00 0.00 55.36 57.31 2kb4 s GLN 65 Cb 0.00 -3.83 0.33 0.00 1.10 0.00 0.00 33.01 30.61 2kb4 s GLN 65 CO 0.00 -0.75 1.57 -1.00 -0.55 0.00 0.00 175.29 174.56 2kb4 h PRO 66 N 8.80 -0.02 -4.17 1.67 0.13 -1.93 -3.21 132.00 133.26 2kb4 h PRO 66 Ca -0.36 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.03 2kb4 h PRO 66 Cb 1.16 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.03 2kb4 h PRO 66 CO 0.95 -0.01 -0.29 0.99 -0.23 0.00 0.00 178.00 179.40 2kb4 s THR 67 N -6.16 4.78 -0.36 1.56 2.01 -1.26 -2.07 115.64 114.15 2kb4 s THR 67 Ca -0.15 -1.64 -0.15 0.00 0.31 0.00 0.00 61.69 60.07 2kb4 s THR 67 Cb 0.23 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 2kb4 s THR 67 CO 0.75 -0.83 0.33 -0.89 -0.69 0.00 0.00 174.62 173.29 2kb4 s THR 68 N 1.48 5.20 -0.14 -0.82 2.01 0.07 -4.98 115.64 118.45 2kb4 s THR 68 Ca 0.04 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 2kb4 s THR 68 Cb -0.28 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2kb4 s THR 68 CO 0.01 -0.14 0.03 -0.89 -0.69 0.00 0.00 174.62 172.94 2kb4 s THR 69 N 1.92 4.50 -0.26 -0.82 2.01 -1.26 0.06 115.64 121.79 2kb4 s THR 69 Ca 0.10 -0.15 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 2kb4 s THR 69 Cb -0.17 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 2kb4 s THR 69 CO 0.11 0.53 0.05 0.00 -0.69 0.00 0.00 174.62 174.62 2kb4 s ALA 70 N -0.14 3.03 0.39 7.40 0.00 -0.22 -1.28 121.76 130.94 2kb4 s ALA 70 Ca 0.06 -1.29 -0.13 0.00 0.00 0.00 0.00 51.96 50.59 2kb4 s ALA 70 Cb -0.12 -2.02 0.05 0.00 0.00 0.00 0.00 23.12 21.03 2kb4 s ALA 70 CO 0.02 -0.68 0.75 0.41 0.00 0.00 0.00 175.76 176.26 2kb4 n GLY 71 N 4.86 1.11 0.67 0.00 0.00 -1.26 -1.34 105.19 109.24 2kb4 n GLY 71 Ca -0.16 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.54 1.85 -3.29 1.61 0.63 0.03 -3.74 116.66 113.21 2kb4 n ARG 72 Ca -0.08 -1.32 -0.34 0.00 -0.92 0.00 0.00 57.85 55.19 2kb4 n ARG 72 Cb 0.59 -1.32 -0.06 0.00 0.45 0.00 0.00 32.46 32.12 2kb4 n ARG 72 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2kb4 s HIS 73 N -1.57 3.55 0.37 -0.14 3.76 -1.26 -4.96 115.29 115.04 2kb4 s HIS 73 Ca 0.27 1.10 0.16 0.00 -0.15 0.00 0.00 55.06 56.45 2kb4 s HIS 73 Cb 0.14 -2.42 0.89 0.00 1.11 0.00 0.00 32.58 32.31 2kb4 s HIS 73 CO 0.20 0.34 1.89 -1.00 -0.85 0.00 0.00 174.74 175.31 2kb4 h PRO 74 N 3.16 0.00 -3.05 8.40 0.13 -1.98 -3.23 132.00 135.43 2kb4 h PRO 74 Ca -0.48 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.89 2kb4 h PRO 74 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 2kb4 h PRO 74 CO 0.66 0.30 2.09 0.39 -0.23 0.00 0.00 178.00 181.21 2kb4 n GLU 75 N -4.00 4.14 -3.31 0.86 1.02 -1.26 -4.84 120.64 113.24 2kb4 n GLU 75 Ca -0.02 -3.59 -0.16 0.00 -0.02 0.00 0.00 57.16 53.37 2kb4 n GLU 75 Cb 0.36 -2.76 -0.03 0.00 -0.02 0.00 0.00 31.44 28.98 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2kb4 n SER 76 N 2.69 2.49 -0.13 1.62 3.41 -1.22 -5.04 113.62 117.45 2kb4 n SER 76 Ca 0.49 -2.10 -0.19 0.00 -0.26 0.00 0.00 58.87 56.81 2kb4 n SER 76 Cb 0.31 0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 2kb4 n SER 76 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kb4 n ASP 77 N -1.23 2.03 -4.53 4.04 8.00 -0.41 -4.91 116.55 119.53 2kb4 n ASP 77 Ca -0.10 -0.08 -0.29 0.00 0.71 0.00 0.00 54.79 55.03 2kb4 n ASP 77 Cb 0.32 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.87 2kb4 n ASP 77 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2kb4 s ILE 78 N -2.50 3.08 0.04 0.53 -4.36 -1.12 -4.98 121.20 111.89 2kb4 s ILE 78 Ca -0.34 -1.44 -0.22 0.00 -0.26 0.00 0.00 60.65 58.39 2kb4 s ILE 78 Cb 0.09 -2.44 -0.06 0.00 1.25 0.00 0.00 42.46 41.30 2kb4 s ILE 78 CO 0.57 0.07 0.65 -0.36 0.24 0.00 0.00 174.94 176.11 2kb4 s PHE 79 N -1.25 3.74 -0.13 1.37 0.08 -1.26 -4.31 117.98 116.22 2kb4 s PHE 79 Ca 0.20 1.32 0.01 0.00 0.12 0.00 0.00 56.93 58.58 2kb4 s PHE 79 Cb -0.11 -2.65 0.02 0.00 -0.57 0.00 0.00 43.02 39.71 2kb4 s PHE 79 CO 0.12 0.39 -0.14 -1.17 -0.10 0.00 0.00 175.22 174.32 2kb4 s LEU 80 N -0.40 1.66 -0.20 -0.37 2.96 -1.25 -3.97 118.68 117.12 2kb4 s LEU 80 Ca 0.33 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 2kb4 s LEU 80 Cb -0.19 -1.11 0.08 0.00 0.50 0.00 0.00 46.19 45.47 2kb4 s LEU 80 CO 0.20 -0.03 0.16 -0.62 -1.32 0.00 0.00 176.35 174.74 2kb4 s ASP 81 N 1.25 2.01 0.11 3.68 2.15 -1.26 -4.67 116.67 119.95 2kb4 s ASP 81 Ca -0.01 -0.52 0.01 0.00 0.43 0.00 0.00 52.55 52.46 2kb4 s ASP 81 Cb -0.14 0.05 -0.04 0.00 -0.30 0.00 0.00 42.92 42.49 2kb4 s ASP 81 CO -0.06 -0.35 -0.02 -0.62 -0.17 0.00 0.00 175.17 173.94 2kb4 s ASP 82 N 2.23 0.90 0.23 -0.34 2.15 -1.26 -1.41 116.67 119.17 2kb4 s ASP 82 Ca 0.05 -1.07 0.26 0.00 0.43 0.00 0.00 52.55 52.21 2kb4 s ASP 82 Cb -0.16 0.15 0.73 0.00 -0.30 0.00 0.00 42.92 43.34 2kb4 s ASP 82 CO -0.14 -0.56 1.73 -0.37 -0.17 0.00 0.00 175.17 175.66 2kb4 h VAL 83 N 2.92 0.00 -1.01 1.11 -1.51 -2.00 -3.24 116.25 112.53 2kb4 h VAL 83 Ca -0.35 -0.55 -0.46 0.00 -1.23 0.00 0.00 66.70 64.11 2kb4 h VAL 83 Cb 1.17 1.53 -0.41 0.00 -2.13 0.00 0.00 31.29 31.45 2kb4 h VAL 83 CO 0.64 0.00 -0.94 0.35 -1.23 0.00 0.00 177.57 176.39 2kb4 n THR 84 N -2.36 1.87 -2.82 7.19 -2.24 -1.26 -5.07 114.28 109.59 2kb4 n THR 84 Ca 0.05 -3.93 -0.40 0.00 -2.27 0.00 0.00 64.05 57.50 2kb4 n THR 84 Cb 0.44 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kb4 s VAL 85 N -4.40 4.18 0.30 2.28 0.11 -1.23 -3.25 120.40 118.39 2kb4 s VAL 85 Ca 0.40 1.97 0.06 0.00 -2.93 0.00 0.00 61.98 61.48 2kb4 s VAL 85 Cb 0.40 -4.27 -0.02 0.00 -1.53 0.00 0.00 36.38 30.96 2kb4 s VAL 85 CO -0.05 0.50 0.39 -0.55 -3.33 0.00 0.00 175.10 172.06 2kb4 s SER 86 N -1.10 5.96 0.19 3.54 0.15 -1.26 -4.85 113.70 116.33 2kb4 s SER 86 Ca 0.40 -0.15 -0.12 0.00 0.70 0.00 0.00 55.95 56.78 2kb4 s SER 86 Cb -0.25 -1.42 0.10 0.00 -1.71 0.00 0.00 66.02 62.75 2kb4 s SER 86 CO 0.30 -0.27 1.82 -0.09 1.20 0.00 0.00 173.24 176.20 2kb4 h ARG 87 N 1.08 0.87 -5.43 5.44 2.43 -1.97 -3.29 114.38 113.51 2kb4 h ARG 87 Ca -0.48 -0.08 -0.63 0.00 -0.81 0.00 0.00 59.98 57.99 2kb4 h ARG 87 Cb 1.25 -0.18 -0.32 0.00 -0.42 0.00 0.00 29.97 30.29 2kb4 h ARG 87 CO 0.57 0.62 -0.86 -0.98 -1.51 0.00 0.00 179.97 177.81 2kb4 s ARG 88 N -5.98 2.33 0.00 0.20 3.03 -1.26 -0.79 118.95 116.48 2kb4 s ARG 88 Ca -0.13 -0.74 -0.01 0.00 2.03 0.00 0.00 55.73 56.88 2kb4 s ARG 88 Cb 0.13 -1.91 -0.00 0.00 -1.03 0.00 0.00 34.95 32.14 2kb4 s ARG 88 CO 0.77 0.24 -0.02 1.58 -1.13 0.00 0.00 175.30 176.75 2kb4 n HIS 89 N 3.27 0.00 -3.85 5.89 -0.00 -0.45 -4.19 115.22 115.89 2kb4 n HIS 89 Ca -0.19 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.89 2kb4 n HIS 89 Cb 0.52 -0.02 -0.09 0.00 -0.12 0.00 0.00 29.99 30.28 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 -2.34 -0.36 -0.13 1.57 0.00 -1.03 -0.87 121.76 118.60 2kb4 s ALA 90 Ca -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.73 2kb4 s ALA 90 Cb 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.36 2kb4 s ALA 90 CO 0.02 -0.33 -0.18 -2.00 0.00 0.00 0.00 175.76 173.27 2kb4 s GLU 91 N -2.28 3.17 -0.33 0.00 2.12 0.67 -1.05 118.70 120.98 2kb4 s GLU 91 Ca -0.07 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 54.34 2kb4 s GLU 91 Cb -0.02 -2.51 -0.02 0.00 0.26 0.00 0.00 34.13 31.84 2kb4 s GLU 91 CO -0.02 0.09 0.23 -0.06 -0.54 0.00 0.00 175.26 174.95 2kb4 s PHE 92 N 0.61 3.22 -0.22 5.30 0.40 0.11 -1.14 117.98 126.27 2kb4 s PHE 92 Ca -0.10 -0.24 -0.06 0.00 -0.60 0.00 0.00 56.93 55.93 2kb4 s PHE 92 Cb -0.16 -2.46 -0.03 0.00 0.51 0.00 0.00 43.02 40.88 2kb4 s PHE 92 CO 0.03 -0.36 0.04 1.03 0.70 0.00 0.00 175.22 176.66 2kb4 s ARG 93 N 1.71 3.68 -0.24 0.44 0.52 0.79 -0.75 118.95 125.10 2kb4 s ARG 93 Ca 0.06 -0.48 -0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2kb4 s ARG 93 Cb -0.17 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.11 2kb4 s ARG 93 CO 0.10 -0.05 -0.08 -1.50 0.02 0.00 0.00 175.30 173.79 2kb4 s ILE 94 N 1.21 2.79 0.03 1.52 1.10 -0.88 -1.11 121.20 125.87 2kb4 s ILE 94 Ca 0.04 -0.98 0.08 0.00 -0.51 0.00 0.00 60.65 59.28 2kb4 s ILE 94 Cb -0.14 -2.38 -0.03 0.00 0.15 0.00 0.00 42.46 40.05 2kb4 s ILE 94 CO 0.02 0.25 -0.24 0.21 -2.11 0.00 0.00 174.94 173.08 2kb4 s ASN 95 N 1.33 3.36 0.00 4.50 3.84 -0.92 -4.58 114.94 122.46 2kb4 s ASN 95 Ca 0.01 -0.51 0.16 0.00 0.21 0.00 0.00 52.86 52.72 2kb4 s ASN 95 Cb -0.16 -0.41 0.70 0.00 -0.55 0.00 0.00 41.25 40.83 2kb4 s ASN 95 CO -0.05 0.27 1.50 -1.84 -2.79 0.00 0.00 177.10 174.19 2kb4 n GLU 96 N 1.82 0.04 -0.06 0.43 0.28 -1.26 -2.66 120.64 119.23 2kb4 n GLU 96 Ca -0.17 0.21 -0.07 0.00 -0.16 0.00 0.00 57.16 56.98 2kb4 n GLU 96 Cb 0.52 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.83 2kb4 n GLU 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2kb4 h GLY 97 N 2.73 0.00 -2.63 -1.84 0.00 -1.89 -3.40 103.07 96.04 2kb4 h GLY 97 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2kb4 h GLY 97 CO 0.00 0.00 -0.26 -0.54 0.00 0.00 0.00 176.54 175.74 2kb4 s GLU 98 N -1.88 1.25 -0.15 4.80 2.02 -1.09 -4.88 118.70 118.78 2kb4 s GLU 98 Ca -0.09 -1.17 -0.03 0.00 0.02 0.00 0.00 54.97 53.70 2kb4 s GLU 98 Cb -0.01 0.41 -0.02 0.00 0.10 0.00 0.00 34.13 34.61 2kb4 s GLU 98 CO 0.30 -0.48 -0.07 -0.06 0.02 0.00 0.00 175.26 174.98 2kb4 s PHE 99 N -3.97 2.95 -0.03 1.61 0.08 -1.26 -2.17 117.98 115.18 2kb4 s PHE 99 Ca 0.18 -0.48 0.03 0.00 0.12 0.00 0.00 56.93 56.78 2kb4 s PHE 99 Cb 0.02 -1.94 -0.00 0.00 -0.57 0.00 0.00 43.02 40.53 2kb4 s PHE 99 CO 0.02 -0.15 -0.12 -2.00 -0.10 0.00 0.00 175.22 172.87 2kb4 s GLU 100 N 0.49 1.20 -0.10 0.44 2.12 -0.26 -2.34 118.70 120.25 2kb4 s GLU 100 Ca -0.05 -0.41 0.02 0.00 0.36 0.00 0.00 54.97 54.89 2kb4 s GLU 100 Cb -0.15 -1.09 0.01 0.00 0.26 0.00 0.00 34.13 33.16 2kb4 s GLU 100 CO 0.03 0.17 -0.15 0.54 -0.54 0.00 0.00 175.26 175.31 2kb4 s VAL 101 N 0.09 1.45 -0.08 3.70 0.11 -0.96 -0.15 120.40 124.56 2kb4 s VAL 101 Ca -0.02 -0.63 0.05 0.00 -2.93 0.00 0.00 61.98 58.45 2kb4 s VAL 101 Cb -0.09 -1.32 -0.01 0.00 -1.53 0.00 0.00 36.38 33.44 2kb4 s VAL 101 CO 0.01 0.43 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.28 2kb4 s VAL 102 N 0.87 2.19 0.00 2.04 1.01 -0.29 -0.83 120.40 125.40 2kb4 s VAL 102 Ca -0.09 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.61 2kb4 s VAL 102 Cb -0.15 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2kb4 s VAL 102 CO 0.01 0.56 0.85 -0.62 0.00 0.00 0.00 175.10 175.90 2kb4 s ASP 103 N 0.01 7.24 -0.18 3.32 -1.08 -0.82 -0.24 116.67 124.93 2kb4 s ASP 103 Ca -0.08 1.50 0.17 0.00 -0.52 0.00 0.00 52.55 53.61 2kb4 s ASP 103 Cb -0.15 -2.51 0.51 0.00 -1.46 0.00 0.00 42.92 39.31 2kb4 s ASP 103 CO 0.05 -0.14 1.40 1.33 0.52 0.00 0.00 175.17 178.33 2kb4 n VAL 104 N 3.50 2.26 0.00 1.11 0.24 -0.05 -4.90 118.33 120.49 2kb4 n VAL 104 Ca 0.02 -1.94 0.00 0.00 -2.04 0.00 0.00 64.34 60.38 2kb4 n VAL 104 Cb 0.51 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.62 0.69 3.79 7.63 0.00 -1.21 -4.81 105.19 110.66 2kb4 n GLY 105 Ca 0.21 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 2kb4 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kb4 s SER 106 N 0.00 7.13 0.11 1.61 1.04 -1.25 -4.72 113.70 117.61 2kb4 s SER 106 Ca 0.00 1.86 0.04 0.00 0.48 0.00 0.00 55.95 58.33 2kb4 s SER 106 Cb 0.00 -2.57 -0.23 0.00 0.10 0.00 0.00 66.02 63.32 2kb4 s SER 106 CO 0.00 -0.22 1.24 -0.07 0.98 0.00 0.00 173.24 175.16 2kb4 h LEU 107 N 2.78 0.10 0.00 2.42 3.38 -1.89 -3.31 115.31 118.80 2kb4 h LEU 107 Ca -0.48 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.27 2kb4 h LEU 107 Cb 1.19 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2kb4 h LEU 107 CO 0.64 1.09 -0.91 -0.55 0.09 0.00 0.00 178.44 178.79 2kb4 h ASN 108 N 0.02 0.00 -1.72 -0.43 7.08 -1.92 -3.50 115.58 115.11 2kb4 h ASN 108 Ca -0.04 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.18 2kb4 h ASN 108 Cb 1.82 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.06 2kb4 h ASN 108 CO 0.15 0.45 0.00 0.61 -2.08 0.00 0.00 177.43 176.56 2kb4 n GLY 109 N 1.28 -1.42 3.68 9.14 0.00 -1.25 -4.75 105.19 111.88 2kb4 n GLY 109 Ca -0.03 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 4.29 0.05 2.61 2.01 -1.26 -4.01 115.64 119.33 2kb4 s THR 110 Ca 0.00 1.60 0.01 0.00 0.31 0.00 0.00 61.69 63.61 2kb4 s THR 110 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 2kb4 s THR 110 CO 0.00 -0.04 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.52 2kb4 s TYR 111 N 2.52 0.65 -0.04 4.92 2.02 -0.81 -4.18 117.35 122.44 2kb4 s TYR 111 Ca 0.55 -0.67 -0.07 0.00 -0.37 0.00 0.00 57.07 56.50 2kb4 s TYR 111 Cb -0.24 -0.40 -0.05 0.00 -0.40 0.00 0.00 41.96 40.88 2kb4 s TYR 111 CO 0.20 -0.15 0.23 0.08 -1.57 0.00 0.00 175.55 174.34 2kb4 s VAL 112 N -2.26 5.35 0.60 0.71 1.01 -0.11 -0.06 120.40 125.64 2kb4 s VAL 112 Ca -0.03 0.23 0.29 0.00 0.00 0.00 0.00 61.98 62.47 2kb4 s VAL 112 Cb -0.04 -3.53 0.36 0.00 0.00 0.00 0.00 36.38 33.18 2kb4 s VAL 112 CO -0.02 0.47 2.03 -0.55 0.00 0.00 0.00 175.10 177.03 2kb4 h ASN 113 N 4.39 0.00 0.00 3.32 -1.07 -1.88 -1.45 115.58 118.89 2kb4 h ASN 113 Ca -0.52 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 55.49 2kb4 h ASN 113 Cb 1.21 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 37.39 2kb4 h ASN 113 CO 0.63 0.00 -2.35 0.54 0.07 0.00 0.00 177.43 176.32 2kb4 n ARG 114 N -3.70 0.78 -4.18 4.14 1.74 -1.26 -4.99 116.66 109.20 2kb4 n ARG 114 Ca 0.03 0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.90 2kb4 n ARG 114 Cb 0.43 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.21 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 -2.48 1.38 0.00 5.56 2.02 -0.55 -5.01 118.70 119.63 2kb4 s GLU 115 Ca -0.16 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.58 2kb4 s GLU 115 Cb 0.06 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 32.96 2kb4 s GLU 115 CO 0.74 -0.13 1.67 -0.35 0.02 0.00 0.00 175.26 177.20 2kb4 n PRO 116 N 4.40 0.86 -3.26 0.39 -0.04 -1.26 -0.93 135.00 135.15 2kb4 n PRO 116 Ca -0.18 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.90 2kb4 n PRO 116 Cb 0.51 -1.07 -0.06 0.00 -0.04 0.00 0.00 33.50 32.84 2kb4 n PRO 116 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kb4 s ARG 117 N 0.28 4.33 0.06 0.54 1.81 -1.26 -4.92 118.95 119.79 2kb4 s ARG 117 Ca 0.00 0.57 -0.12 0.00 -1.72 0.00 0.00 55.73 54.46 2kb4 s ARG 117 Cb 0.00 -3.41 -0.29 0.00 -0.45 0.00 0.00 34.95 30.80 2kb4 s ARG 117 CO 0.00 0.20 1.10 -0.91 -0.68 0.00 0.00 175.30 175.01 2kb4 h ASN 118 N 6.45 0.76 -3.20 0.23 -0.26 -1.89 -3.38 115.58 114.28 2kb4 h ASN 118 Ca -0.42 -0.74 -0.67 0.00 -0.56 0.00 0.00 56.30 53.91 2kb4 h ASN 118 Cb 1.19 -0.24 -0.14 0.00 -1.06 0.00 0.00 38.32 38.06 2kb4 h ASN 118 CO 0.74 1.56 -0.59 0.00 -1.06 0.00 0.00 177.43 178.07 2kb4 s ALA 119 N -2.84 3.38 -0.00 -0.83 0.00 -1.26 -1.95 121.76 118.26 2kb4 s ALA 119 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2kb4 s ALA 119 Cb 0.06 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.55 2kb4 s ALA 119 CO 0.92 0.51 -0.01 -1.14 0.00 0.00 0.00 175.76 176.05 2kb4 s GLN 120 N -0.65 0.06 -0.28 0.00 2.00 -0.01 -5.01 119.66 115.77 2kb4 s GLN 120 Ca 0.11 -0.04 -0.24 0.00 -2.00 0.00 0.00 55.36 53.19 2kb4 s GLN 120 Cb -0.12 -0.05 -0.00 0.00 0.80 0.00 0.00 33.01 33.64 2kb4 s GLN 120 CO 0.02 0.01 0.82 0.08 -0.50 0.00 0.00 175.29 175.73 2kb4 s VAL 121 N -0.05 4.79 0.64 1.34 1.01 -1.26 -2.28 120.40 124.60 2kb4 s VAL 121 Ca -0.00 1.37 -0.18 0.00 0.00 0.00 0.00 61.98 63.17 2kb4 s VAL 121 Cb -0.00 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2kb4 s VAL 121 CO -0.00 -0.19 1.18 0.23 0.00 0.00 0.00 175.10 176.31 2kb4 n MET 122 N 6.16 1.02 -4.77 2.72 0.00 -0.99 -5.01 117.12 116.25 2kb4 n MET 122 Ca 0.05 0.40 -0.27 0.00 0.00 0.00 0.00 57.70 57.88 2kb4 n MET 122 Cb 0.48 -2.41 -0.17 0.00 0.00 0.00 0.00 33.22 31.13 2kb4 n MET 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2kb4 s GLN 123 N -3.18 2.17 -0.16 0.03 0.74 -1.26 -4.92 119.66 113.08 2kb4 s GLN 123 Ca 0.81 -0.57 -0.26 0.00 0.05 0.00 0.00 55.36 55.38 2kb4 s GLN 123 Cb -0.39 -1.73 -0.01 0.00 1.10 0.00 0.00 33.01 31.98 2kb4 s GLN 123 CO 0.42 0.07 0.89 0.95 -0.55 0.00 0.00 175.29 177.07 2kb4 s THR 124 N 0.60 4.84 0.00 -0.34 -4.23 -1.26 -3.37 115.64 111.88 2kb4 s THR 124 Ca -0.15 1.75 0.00 0.00 -1.18 0.00 0.00 61.69 62.11 2kb4 s THR 124 Cb -0.16 -4.19 0.00 0.00 1.34 0.00 0.00 72.50 69.49 2kb4 s THR 124 CO 0.05 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 2kb4 n GLY 125 N 3.38 1.04 3.21 3.99 0.00 0.68 -4.92 105.19 112.56 2kb4 n GLY 125 Ca 0.06 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.38 0.29 -0.01 1.61 2.15 -1.19 -5.00 116.67 112.15 2kb4 s ASP 126 Ca 0.00 -1.40 -0.01 0.00 0.43 0.00 0.00 52.55 51.57 2kb4 s ASP 126 Cb 0.00 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.99 2kb4 s ASP 126 CO 0.00 -0.84 0.02 -1.83 -0.17 0.00 0.00 175.17 172.35 2kb4 s GLU 127 N -4.12 0.02 -0.13 4.34 -1.05 -1.26 -0.95 118.70 115.55 2kb4 s GLU 127 Ca 0.39 0.03 -0.01 0.00 -0.15 0.00 0.00 54.97 55.23 2kb4 s GLU 127 Cb 0.07 0.00 -0.02 0.00 -0.44 0.00 0.00 34.13 33.74 2kb4 s GLU 127 CO 0.13 -0.01 -0.10 0.42 0.95 0.00 0.00 175.26 176.65 2kb4 s ILE 128 N 0.04 3.35 -0.39 1.83 1.01 0.61 -2.72 121.20 124.92 2kb4 s ILE 128 Ca -0.00 -0.56 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 2kb4 s ILE 128 Cb -0.00 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 40.06 2kb4 s ILE 128 CO -0.00 0.53 0.54 -1.58 0.00 0.00 0.00 174.94 174.42 2kb4 s GLN 129 N 0.17 3.42 -0.63 2.79 0.74 0.92 -0.98 119.66 126.09 2kb4 s GLN 129 Ca -0.05 -0.34 -0.18 0.00 0.05 0.00 0.00 55.36 54.83 2kb4 s GLN 129 Cb -0.15 -3.88 0.12 0.00 1.10 0.00 0.00 33.01 30.20 2kb4 s GLN 129 CO 0.04 -0.79 0.72 0.96 -0.55 0.00 0.00 175.29 175.67 2kb4 s ILE 130 N 2.46 4.92 0.00 -2.34 -4.36 0.12 -1.92 121.20 120.08 2kb4 s ILE 130 Ca 0.18 -1.20 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 2kb4 s ILE 130 Cb -0.15 -4.49 0.00 0.00 1.25 0.00 0.00 42.46 39.06 2kb4 s ILE 130 CO 0.15 -1.12 0.00 0.61 0.24 0.00 0.00 174.94 174.82 2kb4 n GLY 131 N 5.19 1.76 0.00 6.27 0.00 -1.26 -1.67 105.19 115.49 2kb4 n GLY 131 Ca -0.06 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kb4 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kb4 n LYS 132 N 0.00 1.83 -4.45 1.61 4.76 -1.26 -4.99 118.16 115.66 2kb4 n LYS 132 Ca 0.00 -1.13 -0.25 0.00 -2.87 0.00 0.00 58.31 54.05 2kb4 n LYS 132 Cb 0.00 -0.81 -0.11 0.00 -1.84 0.00 0.00 35.03 32.27 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2kb4 s PHE 133 N -0.64 2.30 -0.07 2.13 0.08 -0.67 -5.01 117.98 116.10 2kb4 s PHE 133 Ca 0.00 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 56.74 2kb4 s PHE 133 Cb 0.00 -1.07 0.01 0.00 -0.57 0.00 0.00 43.02 41.39 2kb4 s PHE 133 CO 0.00 0.61 -0.17 -0.98 -0.10 0.00 0.00 175.22 174.59 2kb4 s ARG 134 N -3.10 2.07 -0.09 0.44 1.70 -0.35 0.12 118.95 119.74 2kb4 s ARG 134 Ca 0.26 -0.58 0.02 0.00 -0.47 0.00 0.00 55.73 54.95 2kb4 s ARG 134 Cb -0.06 -1.67 -0.02 0.00 -0.57 0.00 0.00 34.95 32.62 2kb4 s ARG 134 CO 0.13 0.12 -0.15 -1.17 -1.08 0.00 0.00 175.30 173.15 2kb4 s LEU 135 N 0.42 2.66 -0.09 -1.89 0.20 -0.15 -2.39 118.68 117.45 2kb4 s LEU 135 Ca -0.13 -0.29 -0.02 0.00 0.69 0.00 0.00 54.13 54.38 2kb4 s LEU 135 Cb -0.15 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 2kb4 s LEU 135 CO 0.05 0.24 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.65 2kb4 s VAL 136 N -0.12 4.20 -0.15 1.68 1.01 0.88 -0.29 120.40 127.61 2kb4 s VAL 136 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2kb4 s VAL 136 Cb -0.14 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 2kb4 s VAL 136 CO 0.04 0.59 -0.15 0.12 0.00 0.00 0.00 175.10 175.70 2kb4 s PHE 137 N -0.77 2.79 -0.02 5.22 5.36 -0.13 -0.28 117.98 130.16 2kb4 s PHE 137 Ca 0.12 -0.95 0.03 0.00 -0.96 0.00 0.00 56.93 55.16 2kb4 s PHE 137 Cb -0.11 -1.88 -0.00 0.00 -0.34 0.00 0.00 43.02 40.68 2kb4 s PHE 137 CO 0.02 -0.42 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.76 2kb4 s LEU 138 N 0.73 1.88 -0.63 6.12 1.43 -0.24 -0.23 118.68 127.74 2kb4 s LEU 138 Ca -0.06 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2kb4 s LEU 138 Cb -0.15 -0.51 0.44 0.00 0.03 0.00 0.00 46.19 46.00 2kb4 s LEU 138 CO 0.01 0.08 1.90 0.00 0.23 0.00 0.00 176.35 178.57 2kb4 n ALA 139 N 3.11 6.15 -0.05 4.21 0.00 -1.26 -0.15 120.51 132.52 2kb4 n ALA 139 Ca -0.16 -3.60 -0.13 0.00 0.00 0.00 0.00 53.44 49.54 2kb4 n ALA 139 Cb 0.55 -1.56 -0.12 0.00 0.00 0.00 0.00 19.45 18.32 2kb4 n ALA 139 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kb4 h GLY 140 N 2.13 -0.00 -5.03 0.00 0.00 -1.92 -3.46 103.07 94.79 2kb4 h GLY 140 Ca 0.57 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.34 2kb4 h GLY 140 CO 1.45 -0.00 0.85 -4.14 0.00 0.00 0.00 176.54 174.69 2kb4 s PRO 141 N -3.05 4.27 -0.17 4.80 0.02 -1.26 -5.00 135.00 134.60 2kb4 s PRO 141 Ca -0.18 1.71 -0.03 0.00 0.02 0.00 0.00 61.00 62.52 2kb4 s PRO 141 Cb -0.01 -3.70 -0.02 0.00 0.02 0.00 0.00 34.50 30.79 2kb4 s PRO 141 CO 0.68 -0.63 -0.05 0.00 -0.33 0.00 0.00 177.00 176.67 2kb4 s ALA 142 N 3.07 2.90 -2.00 -1.55 0.00 -1.26 -4.55 121.76 118.38 2kb4 s ALA 142 Ca 0.56 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.65 2kb4 s ALA 142 Cb -0.24 -1.57 0.33 0.00 0.00 0.00 0.00 23.12 21.65 2kb4 s ALA 142 CO 0.18 0.02 0.80 -0.85 0.00 0.00 0.00 175.76 175.92