#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 0.13 -3.55 7.83 4.64 -2.13 -3.43 113.55 117.04 2kb4 h SER 2 Ca 0.00 -0.89 -0.63 0.00 -0.47 0.00 0.00 61.79 59.80 2kb4 h SER 2 Cb 0.00 -0.04 -0.18 0.00 -0.31 0.00 0.00 62.40 61.87 2kb4 h SER 2 CO 0.00 1.23 -0.57 -1.81 -0.87 0.00 0.00 176.83 174.82 2kb4 s ASP 3 N -6.57 5.62 0.08 4.97 1.01 -1.26 -5.08 116.67 115.44 2kb4 s ASP 3 Ca -0.20 -0.02 0.06 0.00 0.71 0.00 0.00 52.55 53.10 2kb4 s ASP 3 Cb 0.00 -2.00 -0.04 0.00 1.01 0.00 0.00 42.92 41.89 2kb4 s ASP 3 CO 0.71 0.06 -0.08 0.20 0.21 0.00 0.00 175.17 176.26 2kb4 s ASN 4 N 1.09 4.53 -0.38 0.27 0.01 -1.26 -5.08 114.94 114.13 2kb4 s ASN 4 Ca 0.05 -0.31 -0.20 0.00 -0.71 0.00 0.00 52.86 51.70 2kb4 s ASN 4 Cb -0.14 -0.94 0.01 0.00 0.41 0.00 0.00 41.25 40.59 2kb4 s ASN 4 CO 0.04 0.20 0.59 0.20 -1.51 0.00 0.00 177.10 176.62 2kb4 s ASN 5 N -2.06 6.36 -0.33 -1.22 0.01 -1.26 -5.01 114.94 111.43 2kb4 s ASN 5 Ca 0.21 -0.06 0.04 0.00 -0.71 0.00 0.00 52.86 52.34 2kb4 s ASN 5 Cb -0.11 -2.30 0.10 0.00 0.41 0.00 0.00 41.25 39.34 2kb4 s ASN 5 CO 0.13 -0.60 0.03 -0.83 -1.51 0.00 0.00 177.10 174.32 2kb4 s GLY 6 N 1.83 1.91 -0.12 0.66 0.00 -1.26 -5.08 107.32 105.26 2kb4 s GLY 6 Ca 0.22 -2.46 -0.29 0.00 0.00 0.00 0.00 44.72 42.19 2kb4 s GLY 6 CO 0.15 0.90 1.07 -1.59 0.00 0.00 0.00 173.10 173.64 2kb4 s THR 7 N 0.92 4.63 0.17 0.90 2.01 -1.26 -4.98 115.64 118.03 2kb4 s THR 7 Ca 0.09 1.92 -0.32 0.00 0.31 0.00 0.00 61.69 63.69 2kb4 s THR 7 Cb -0.19 -4.23 -0.11 0.00 0.01 0.00 0.00 72.50 67.97 2kb4 s THR 7 CO -0.08 -0.04 1.76 -2.84 -0.69 0.00 0.00 174.62 172.73 2kb4 s PRO 8 N 2.37 4.13 -0.18 4.92 0.02 -1.26 -4.99 135.00 140.01 2kb4 s PRO 8 Ca 0.49 2.59 -0.09 0.00 0.02 0.00 0.00 61.00 64.02 2kb4 s PRO 8 Cb -0.19 -3.29 -0.05 0.00 0.02 0.00 0.00 34.50 30.99 2kb4 s PRO 8 CO 0.16 -0.78 0.11 -1.83 -0.33 0.00 0.00 177.00 174.33 2kb4 s GLU 9 N 1.82 4.01 0.10 5.54 -1.05 -1.26 -5.05 118.70 122.81 2kb4 s GLU 9 Ca 0.77 -0.24 -0.31 0.00 -0.15 0.00 0.00 54.97 55.04 2kb4 s GLU 9 Cb -0.48 -3.33 -0.09 0.00 -0.44 0.00 0.00 34.13 29.80 2kb4 s GLU 9 CO 0.34 0.37 1.60 -1.25 0.95 0.00 0.00 175.26 177.27 2kb4 s PRO 10 N 0.13 4.21 -0.60 -4.83 0.04 -1.26 -4.93 135.00 127.76 2kb4 s PRO 10 Ca 0.08 2.31 -0.27 0.00 0.04 0.00 0.00 61.00 63.17 2kb4 s PRO 10 Cb -0.11 -3.41 0.03 0.00 0.04 0.00 0.00 34.50 31.05 2kb4 s PRO 10 CO -0.01 -0.66 1.13 -0.65 0.04 0.00 0.00 177.00 176.85 2kb4 s GLN 11 N 1.99 3.40 0.08 4.56 -0.21 -1.26 -4.99 119.66 123.23 2kb4 s GLN 11 Ca 0.72 -0.01 0.06 0.00 0.02 0.00 0.00 55.36 56.15 2kb4 s GLN 11 Cb -0.41 -4.06 -0.04 0.00 1.00 0.00 0.00 33.01 29.51 2kb4 s GLN 11 CO 0.32 -1.70 -0.08 0.08 -2.12 0.00 0.00 175.29 171.79 2kb4 s VAL 12 N 4.75 3.53 -0.20 1.09 1.01 -1.26 -5.07 120.40 124.24 2kb4 s VAL 12 Ca 0.37 -1.13 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 2kb4 s VAL 12 Cb -0.09 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 2kb4 s VAL 12 CO 0.22 0.16 0.93 -1.83 0.00 0.00 0.00 175.10 174.57 2kb4 s GLU 13 N -2.09 4.27 -0.38 2.72 1.03 -1.26 -4.94 118.70 118.04 2kb4 s GLU 13 Ca 0.21 1.16 -0.27 0.00 0.03 0.00 0.00 54.97 56.11 2kb4 s GLU 13 Cb -0.11 -3.61 -0.06 0.00 -0.80 0.00 0.00 34.13 29.55 2kb4 s GLU 13 CO 0.14 -0.49 2.31 0.99 -1.33 0.00 0.00 175.26 176.88 2kb4 s THR 14 N 2.69 3.02 -0.88 1.83 2.01 -1.26 -4.85 115.64 118.21 2kb4 s THR 14 Ca 0.41 0.02 -0.24 0.00 0.31 0.00 0.00 61.69 62.18 2kb4 s THR 14 Cb -0.16 -3.05 0.05 0.00 0.01 0.00 0.00 72.50 69.35 2kb4 s THR 14 CO 0.09 -0.04 1.33 -0.89 -0.69 0.00 0.00 174.62 174.42 2kb4 s THR 15 N 10.48 3.93 -0.46 -0.82 2.01 -1.26 -4.86 115.64 124.66 2kb4 s THR 15 Ca 0.98 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.68 2kb4 s THR 15 Cb -0.23 -4.96 0.16 0.00 0.01 0.00 0.00 72.50 67.48 2kb4 s THR 15 CO 0.30 -1.84 0.33 -0.44 -0.69 0.00 0.00 174.62 172.27 2kb4 s SER 16 N 4.31 2.73 -0.31 3.53 0.01 -1.26 -5.08 113.70 117.62 2kb4 s SER 16 Ca 0.39 -2.97 -0.07 0.00 1.31 0.00 0.00 55.95 54.61 2kb4 s SER 16 Cb -0.05 -0.76 0.02 0.00 0.21 0.00 0.00 66.02 65.44 2kb4 s SER 16 CO 0.01 -0.20 0.09 -0.69 0.41 0.00 0.00 173.24 172.86 2kb4 s VAL 17 N 0.02 3.94 0.32 3.43 1.01 -1.26 -5.08 120.40 122.77 2kb4 s VAL 17 Ca 0.26 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.53 2kb4 s VAL 17 Cb -0.08 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2kb4 s VAL 17 CO -0.12 0.02 0.17 0.72 0.00 0.00 0.00 175.10 175.89 2kb4 s PHE 18 N 1.48 2.79 0.49 5.22 -0.71 -1.26 -5.14 117.98 120.86 2kb4 s PHE 18 Ca 0.02 -0.32 0.05 0.00 -1.04 0.00 0.00 56.93 55.64 2kb4 s PHE 18 Cb -0.18 -1.61 -0.00 0.00 -1.21 0.00 0.00 43.02 40.02 2kb4 s PHE 18 CO 0.03 0.35 0.24 1.03 -1.34 0.00 0.00 175.22 175.52 2kb4 s ARG 19 N -3.86 2.24 0.00 1.99 3.00 -1.26 -4.99 118.95 116.06 2kb4 s ARG 19 Ca 0.37 -2.04 0.00 0.00 0.00 0.00 0.00 55.73 54.07 2kb4 s ARG 19 Cb -0.04 -1.94 0.00 0.00 0.00 0.00 0.00 34.95 32.97 2kb4 s ARG 19 CO 0.23 -0.39 1.26 0.00 0.00 0.00 0.00 175.30 176.41 2kb4 n ALA 20 N -1.47 2.95 0.09 2.13 0.00 -1.26 -4.12 120.51 118.82 2kb4 n ALA 20 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 2kb4 n ALA 20 Cb 0.65 -1.05 0.14 0.00 0.00 0.00 0.00 19.45 19.19 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 0.69 0.27 -2.03 0.00 3.32 -2.05 -3.40 116.42 113.22 2kb4 h ASP 21 Ca 0.00 -0.15 -0.51 0.00 0.02 0.00 0.00 57.03 56.40 2kb4 h ASP 21 Cb 0.89 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.31 2kb4 h ASP 21 CO 0.00 0.78 1.21 -0.76 -1.72 0.00 0.00 179.24 178.75 2kb4 s LEU 22 N -7.99 3.24 0.46 1.55 2.01 -1.26 -4.97 118.68 111.72 2kb4 s LEU 22 Ca -0.04 -0.10 0.02 0.00 0.01 0.00 0.00 54.13 54.02 2kb4 s LEU 22 Cb 0.12 -2.54 0.01 0.00 0.01 0.00 0.00 46.19 43.78 2kb4 s LEU 22 CO 0.79 -2.15 0.66 -0.76 1.01 0.00 0.00 176.35 175.90 2kb4 s LEU 23 N 7.66 3.60 -0.52 1.79 1.43 -1.26 -5.02 118.68 126.36 2kb4 s LEU 23 Ca 0.54 0.07 -0.28 0.00 -1.03 0.00 0.00 54.13 53.43 2kb4 s LEU 23 Cb -0.10 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.15 2kb4 s LEU 23 CO 0.16 -0.79 1.52 -0.75 0.23 0.00 0.00 176.35 176.73 2kb4 s LYS 24 N -4.54 3.25 0.11 1.70 2.36 -1.26 -4.96 119.74 116.40 2kb4 s LYS 24 Ca 0.51 0.66 -0.30 0.00 -2.55 0.00 0.00 55.97 54.29 2kb4 s LYS 24 Cb -0.10 -4.15 -0.06 0.00 -1.05 0.00 0.00 37.83 32.46 2kb4 s LYS 24 CO 0.37 -1.98 1.13 -1.21 1.55 0.00 0.00 175.35 175.20 2kb4 s GLU 25 N 5.65 4.52 -0.15 4.03 0.41 -1.26 -4.99 118.70 126.91 2kb4 s GLU 25 Ca 0.59 1.70 -0.20 0.00 -0.41 0.00 0.00 54.97 56.65 2kb4 s GLU 25 Cb -0.13 -3.33 -0.03 0.00 -1.78 0.00 0.00 34.13 28.86 2kb4 s GLU 25 CO 0.27 -0.08 0.56 0.00 -0.49 0.00 0.00 175.26 175.52 2kb4 s MET 26 N 0.40 4.29 0.41 1.61 0.23 -1.26 -5.05 119.30 119.92 2kb4 s MET 26 Ca 0.54 0.55 0.07 0.00 -1.03 0.00 0.00 55.69 55.82 2kb4 s MET 26 Cb -0.28 -3.50 0.01 0.00 -1.53 0.00 0.00 34.83 29.52 2kb4 s MET 26 CO 0.32 -0.02 0.56 -1.21 -2.03 0.00 0.00 175.02 172.63 2kb4 s GLU 27 N 1.19 2.87 0.02 3.16 0.41 -1.26 -5.13 118.70 119.97 2kb4 s GLU 27 Ca 0.28 -1.18 -0.03 0.00 -0.41 0.00 0.00 54.97 53.63 2kb4 s GLU 27 Cb -0.16 -2.76 -0.01 0.00 -1.78 0.00 0.00 34.13 29.42 2kb4 s GLU 27 CO 0.11 -0.23 0.04 -1.54 -0.49 0.00 0.00 175.26 173.16 2kb4 s SER 28 N -4.32 0.17 0.41 -0.19 1.04 -1.26 -5.17 113.70 104.38 2kb4 s SER 28 Ca 0.53 -0.42 0.08 0.00 0.48 0.00 0.00 55.95 56.62 2kb4 s SER 28 Cb -0.10 0.15 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 2kb4 s SER 28 CO 0.33 -0.36 0.49 -0.44 0.98 0.00 0.00 173.24 174.24 2kb4 s SER 29 N -1.56 5.44 0.02 7.02 0.01 -1.26 -5.13 113.70 118.24 2kb4 s SER 29 Ca -0.14 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 56.64 2kb4 s SER 29 Cb -0.08 -0.66 -0.02 0.00 0.21 0.00 0.00 66.02 65.47 2kb4 s SER 29 CO -0.01 -0.69 -0.14 0.28 0.41 0.00 0.00 173.24 173.09 2kb4 s THR 30 N -2.38 1.07 0.04 1.44 -1.32 -1.26 -5.15 115.64 108.08 2kb4 s THR 30 Ca 0.52 -0.81 -0.00 0.00 -1.21 0.00 0.00 61.69 60.19 2kb4 s THR 30 Cb -0.07 -0.94 0.01 0.00 -1.51 0.00 0.00 72.50 69.98 2kb4 s THR 30 CO 0.31 0.13 0.05 0.61 -2.21 0.00 0.00 174.62 173.51 2kb4 n GLY 31 N 2.27 0.42 3.84 6.08 0.00 -1.26 -5.08 105.19 111.47 2kb4 n GLY 31 Ca -0.16 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 2kb4 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 32 N -0.14 4.58 -0.24 2.61 2.01 -1.26 -5.04 115.64 118.15 2kb4 s THR 32 Ca 0.03 1.14 -0.20 0.00 0.31 0.00 0.00 61.69 62.97 2kb4 s THR 32 Cb -0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 2kb4 s THR 32 CO 0.02 -0.23 0.62 0.00 -0.69 0.00 0.00 174.62 174.34 2kb4 s ALA 33 N -2.05 3.59 0.03 7.40 0.00 -1.26 -5.04 121.76 124.43 2kb4 s ALA 33 Ca 0.57 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 2kb4 s ALA 33 Cb -0.10 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 2kb4 s ALA 33 CO 0.16 -0.74 1.28 -2.14 0.00 0.00 0.00 175.76 174.33 2kb4 s PRO 34 N 2.34 4.36 -0.88 0.00 0.02 -1.26 -4.97 135.00 134.59 2kb4 s PRO 34 Ca 0.26 1.85 -0.18 0.00 0.02 0.00 0.00 61.00 62.95 2kb4 s PRO 34 Cb -0.16 -3.44 0.14 0.00 0.02 0.00 0.00 34.50 31.06 2kb4 s PRO 34 CO 0.09 -0.42 1.03 0.00 -0.33 0.00 0.00 177.00 177.38 2kb4 s ALA 35 N 1.70 3.49 -0.15 -1.55 0.00 -1.26 -4.98 121.76 119.01 2kb4 s ALA 35 Ca 0.60 -2.81 -0.31 0.00 0.00 0.00 0.00 51.96 49.44 2kb4 s ALA 35 Cb -0.30 -3.92 -0.08 0.00 0.00 0.00 0.00 23.12 18.82 2kb4 s ALA 35 CO 0.27 -2.82 2.09 0.43 0.00 0.00 0.00 175.76 175.73 2kb4 n SER 36 N 6.10 3.35 -3.80 0.00 7.64 -1.26 -4.94 113.62 120.72 2kb4 n SER 36 Ca 0.19 0.57 -0.11 0.00 1.01 0.00 0.00 58.87 60.54 2kb4 n SER 36 Cb 0.48 -1.46 -0.08 0.00 -1.01 0.00 0.00 64.21 62.14 2kb4 n SER 36 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kb4 s THR 37 N 6.34 0.10 0.00 0.44 -1.32 -1.26 -4.83 115.64 115.10 2kb4 s THR 37 Ca 0.98 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 2kb4 s THR 37 Cb -0.52 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.47 2kb4 s THR 37 CO 0.43 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 2kb4 n GLY 38 N 0.48 2.34 0.19 6.08 0.00 -1.26 -4.78 105.19 108.24 2kb4 n GLY 38 Ca -0.18 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 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 0.84 0.09 4.61 0.00 -1.94 -0.80 119.26 122.05 2kb4 h ALA 39 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 54.91 54.12 2kb4 h ALA 39 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2kb4 h ALA 39 CO 0.00 0.69 -1.48 1.05 0.00 0.00 0.00 179.25 179.51 2kb4 h GLU 40 N 0.29 0.19 0.07 0.00 9.09 -1.96 -3.37 114.58 118.89 2kb4 h GLU 40 Ca 0.01 -0.32 -0.21 0.00 0.05 0.00 0.00 59.36 58.89 2kb4 h GLU 40 Cb 1.04 0.12 0.02 0.00 -1.65 0.00 0.00 28.75 28.28 2kb4 h GLU 40 CO 0.09 1.03 -0.85 -0.97 0.05 0.00 0.00 179.01 178.36 2kb4 h ASN 41 N 0.05 0.62 -3.80 3.06 -0.73 -1.89 -3.46 115.58 109.43 2kb4 h ASN 41 Ca -0.22 -0.83 -0.48 0.00 1.87 0.00 0.00 56.30 56.64 2kb4 h ASN 41 Cb 1.98 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 40.35 2kb4 h ASN 41 CO 0.15 1.39 0.15 -0.76 -0.37 0.00 0.00 177.43 177.99 2kb4 s LEU 42 N -8.08 4.02 0.20 0.34 1.43 -0.31 -5.00 118.68 111.28 2kb4 s LEU 42 Ca -0.12 1.36 -0.32 0.00 -1.03 0.00 0.00 54.13 54.02 2kb4 s LEU 42 Cb 0.03 -4.18 -0.11 0.00 0.03 0.00 0.00 46.19 41.96 2kb4 s LEU 42 CO 0.86 -0.25 1.67 -2.84 0.23 0.00 0.00 176.35 176.02 2kb4 s PRO 43 N -3.09 4.15 0.07 1.29 0.02 -1.26 -4.83 135.00 131.34 2kb4 s PRO 43 Ca 0.56 2.55 0.01 0.00 0.02 0.00 0.00 61.00 64.13 2kb4 s PRO 43 Cb -0.10 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.34 2kb4 s PRO 43 CO 0.17 -0.71 0.09 0.00 -0.33 0.00 0.00 177.00 176.23 2kb4 n ALA 44 N 3.82 0.14 0.00 -1.55 0.00 -1.26 -4.48 120.51 117.18 2kb4 n ALA 44 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kb4 n ALA 44 Cb 0.36 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2kb4 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 45 N 4.20 0.38 3.88 0.00 0.00 -1.26 -4.35 105.19 108.04 2kb4 n GLY 45 Ca 0.02 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 6.58 0.00 1.61 0.01 -1.26 -4.66 113.70 115.98 2kb4 s SER 46 Ca 0.00 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.23 2kb4 s SER 46 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2kb4 s SER 46 CO 0.00 -0.19 0.00 0.00 0.41 0.00 0.00 173.24 173.46 2kb4 n ALA 47 N -0.61 0.00 -2.47 1.44 0.00 -1.26 -4.48 120.51 113.13 2kb4 n ALA 47 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 2kb4 n ALA 47 Cb 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.87 2kb4 n ALA 47 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2kb4 s LEU 48 N 0.00 2.42 0.00 0.00 0.05 -0.86 -2.28 118.68 118.01 2kb4 s LEU 48 Ca 0.00 -0.83 0.03 0.00 0.05 0.00 0.00 54.13 53.38 2kb4 s LEU 48 Cb 0.00 -0.43 -0.01 0.00 -2.05 0.00 0.00 46.19 43.70 2kb4 s LEU 48 CO 0.00 -0.21 -0.11 -1.48 -0.55 0.00 0.00 176.35 174.01 2kb4 s LEU 49 N -2.51 2.05 -0.14 1.48 0.05 0.79 -0.62 118.68 119.78 2kb4 s LEU 49 Ca 0.08 -0.24 0.02 0.00 0.05 0.00 0.00 54.13 54.04 2kb4 s LEU 49 Cb -0.03 -0.52 0.01 0.00 -2.05 0.00 0.00 46.19 43.60 2kb4 s LEU 49 CO 0.02 0.10 -0.21 -0.69 -0.55 0.00 0.00 176.35 175.02 2kb4 s VAL 50 N -0.38 2.21 -0.33 1.48 1.01 0.62 -0.17 120.40 124.84 2kb4 s VAL 50 Ca 0.03 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.89 2kb4 s VAL 50 Cb -0.05 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 2kb4 s VAL 50 CO -0.00 0.54 0.52 -0.69 0.00 0.00 0.00 175.10 175.48 2kb4 s VAL 51 N 0.73 5.01 0.12 2.92 1.01 -0.20 0.00 120.40 129.99 2kb4 s VAL 51 Ca -0.09 0.46 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 2kb4 s VAL 51 Cb -0.16 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2kb4 s VAL 51 CO 0.00 -0.17 1.57 0.11 0.00 0.00 0.00 175.10 176.62 2kb4 h LYS 52 N 8.38 0.67 -1.55 2.72 1.57 -1.42 -3.34 116.57 123.59 2kb4 h LYS 52 Ca -0.28 -0.21 0.09 0.00 -1.87 0.00 0.00 60.65 58.38 2kb4 h LYS 52 Cb 1.13 -0.06 -0.27 0.00 0.08 0.00 0.00 32.23 33.11 2kb4 h LYS 52 CO 0.77 0.76 0.43 0.50 -0.57 0.00 0.00 179.45 181.33 2kb4 s ARG 53 N -5.04 0.43 0.00 3.15 6.06 -1.23 -4.98 118.95 117.35 2kb4 s ARG 53 Ca -0.13 0.62 0.00 0.00 -2.50 0.00 0.00 55.73 53.72 2kb4 s ARG 53 Cb 0.10 0.15 0.00 0.00 0.06 0.00 0.00 34.95 35.26 2kb4 s ARG 53 CO 0.78 -0.07 0.00 0.41 -2.50 0.00 0.00 175.30 173.93 2kb4 n GLY 54 N 2.93 2.06 0.03 8.12 0.00 -1.26 -2.47 105.19 114.60 2kb4 n GLY 54 Ca -0.15 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.22 0.04 -0.30 1.61 -0.02 -1.26 -2.54 135.00 132.31 2kb4 n PRO 55 Ca 0.00 0.35 0.05 0.00 -2.02 0.00 0.00 63.50 61.87 2kb4 n PRO 55 Cb 0.00 -1.58 0.19 0.00 -0.02 0.00 0.00 33.50 32.09 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 0.62 0.00 2.55 -1.07 -1.83 -3.37 115.58 112.48 2kb4 h ASN 56 Ca 0.00 0.07 0.00 0.00 0.07 0.00 0.00 56.30 56.44 2kb4 h ASN 56 Cb 0.21 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.41 2kb4 h ASN 56 CO 0.00 0.32 0.00 0.00 0.07 0.00 0.00 177.43 177.82 2kb4 n ALA 57 N -2.39 0.00 -2.39 4.14 0.00 -1.13 -3.68 120.51 115.05 2kb4 n ALA 57 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 2kb4 n ALA 57 Cb 0.35 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.24 -0.49 3.30 0.00 0.00 -1.05 -4.98 105.19 100.73 2kb4 n GLY 58 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.95 -2.13 -2.55 4.61 0.00 -1.25 -5.00 120.51 112.24 2kb4 n ALA 59 Ca -0.02 -0.93 -0.31 0.00 0.00 0.00 0.00 53.44 52.17 2kb4 n ALA 59 Cb 0.53 0.58 -0.11 0.00 0.00 0.00 0.00 19.45 20.46 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 -2.05 2.38 0.09 0.00 1.70 -1.26 -1.03 118.95 118.78 2kb4 s ARG 60 Ca 0.18 -0.82 0.04 0.00 -0.47 0.00 0.00 55.73 54.66 2kb4 s ARG 60 Cb -0.03 -2.39 -0.03 0.00 -0.57 0.00 0.00 34.95 31.92 2kb4 s ARG 60 CO 0.06 0.58 -0.11 -0.06 -1.08 0.00 0.00 175.30 174.69 2kb4 s PHE 61 N -0.99 1.11 -0.06 5.89 0.08 0.76 -4.98 117.98 119.80 2kb4 s PHE 61 Ca 0.17 -0.61 0.02 0.00 0.12 0.00 0.00 56.93 56.63 2kb4 s PHE 61 Cb -0.11 -0.61 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 2kb4 s PHE 61 CO 0.07 0.03 -0.09 -1.17 -0.10 0.00 0.00 175.22 173.96 2kb4 s LEU 62 N -2.32 3.05 -0.26 -0.37 0.20 -1.26 -0.15 118.68 117.57 2kb4 s LEU 62 Ca 0.04 -0.08 -0.29 0.00 0.69 0.00 0.00 54.13 54.50 2kb4 s LEU 62 Cb -0.04 -1.66 -0.02 0.00 -0.43 0.00 0.00 46.19 44.04 2kb4 s LEU 62 CO 0.01 0.35 1.60 -0.76 -0.29 0.00 0.00 176.35 177.26 2kb4 s LEU 63 N -0.83 3.81 -0.04 -0.68 1.02 -0.96 -4.86 118.68 116.14 2kb4 s LEU 63 Ca 0.12 1.47 -0.14 0.00 0.02 0.00 0.00 54.13 55.61 2kb4 s LEU 63 Cb -0.11 -3.53 -0.08 0.00 0.02 0.00 0.00 46.19 42.49 2kb4 s LEU 63 CO 0.02 -1.33 0.59 -0.78 0.02 0.00 0.00 176.35 174.87 2kb4 h ASP 64 N 10.93 -0.42 -3.18 2.29 1.82 -1.94 -3.44 116.42 122.48 2kb4 h ASP 64 Ca -0.32 0.01 -0.63 0.00 -0.39 0.00 0.00 57.03 55.70 2kb4 h ASP 64 Cb 1.15 0.11 -0.14 0.00 0.68 0.00 0.00 39.33 41.13 2kb4 h ASP 64 CO 1.02 -0.01 -0.55 -1.58 -1.61 0.00 0.00 179.24 176.51 2kb4 s GLN 65 N -3.16 3.79 0.27 0.28 0.74 -1.26 -5.00 119.66 115.33 2kb4 s GLN 65 Ca -0.07 -0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.05 2kb4 s GLN 65 Cb 0.01 -3.18 0.64 0.00 1.10 0.00 0.00 33.01 31.58 2kb4 s GLN 65 CO 0.22 0.42 1.38 -2.30 -0.55 0.00 0.00 175.29 174.45 2kb4 n PRO 66 N 3.09 -0.07 -3.54 1.67 -0.01 -1.26 -2.52 135.00 132.35 2kb4 n PRO 66 Ca -0.17 1.32 -0.41 0.00 -0.01 0.00 0.00 63.50 64.23 2kb4 n PRO 66 Cb 0.53 -2.09 -0.07 0.00 -0.01 0.00 0.00 33.50 31.85 2kb4 n PRO 66 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 175.50 176.48 2kb4 s THR 67 N -5.87 4.38 -0.36 3.45 2.01 -1.26 -0.18 115.64 117.81 2kb4 s THR 67 Ca -0.12 -2.13 -0.22 0.00 0.31 0.00 0.00 61.69 59.54 2kb4 s THR 67 Cb 0.26 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.93 2kb4 s THR 67 CO 0.69 -0.84 0.71 -0.89 -0.69 0.00 0.00 174.62 173.59 2kb4 s THR 68 N 0.88 4.82 -0.27 -0.82 2.01 0.85 -4.92 115.64 118.19 2kb4 s THR 68 Ca 0.10 0.74 -0.14 0.00 0.31 0.00 0.00 61.69 62.70 2kb4 s THR 68 Cb -0.22 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 2kb4 s THR 68 CO -0.03 -0.37 0.32 0.28 -0.69 0.00 0.00 174.62 174.14 2kb4 s THR 69 N 2.89 5.21 0.08 -0.82 -1.32 -1.26 -0.22 115.64 120.20 2kb4 s THR 69 Ca 0.28 0.46 0.05 0.00 -1.21 0.00 0.00 61.69 61.27 2kb4 s THR 69 Cb -0.14 -3.65 -0.04 0.00 -1.51 0.00 0.00 72.50 67.16 2kb4 s THR 69 CO 0.16 0.18 -0.04 0.00 -2.21 0.00 0.00 174.62 172.71 2kb4 s ALA 70 N 1.97 3.15 0.00 11.08 0.00 0.24 -2.10 121.76 136.11 2kb4 s ALA 70 Ca 0.13 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2kb4 s ALA 70 Cb -0.16 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2kb4 s ALA 70 CO 0.10 0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.94 2kb4 n GLY 71 N 0.78 0.12 0.00 0.00 0.00 -1.26 -1.84 105.19 102.98 2kb4 n GLY 71 Ca -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2kb4 n GLY 71 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kb4 n ARG 72 N 0.00 0.00 -1.43 1.61 1.85 -1.15 -4.16 116.66 113.38 2kb4 n ARG 72 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 57.85 57.04 2kb4 n ARG 72 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 2kb4 n ARG 72 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2kb4 n HIS 73 N -0.13 -3.67 0.28 2.89 8.25 -1.25 -2.91 115.22 118.68 2kb4 n HIS 73 Ca 0.00 1.89 0.16 0.00 -0.26 0.00 0.00 57.72 59.51 2kb4 n HIS 73 Cb 0.00 -3.33 0.79 0.00 1.12 0.00 0.00 29.99 28.56 2kb4 n HIS 73 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2kb4 h PRO 74 N -1.35 0.00 -2.96 -0.41 0.13 -2.00 -3.39 132.00 122.02 2kb4 h PRO 74 Ca -0.04 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.50 2kb4 h PRO 74 Cb 1.33 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.06 2kb4 h PRO 74 CO 0.03 0.06 -0.78 -1.21 -0.23 0.00 0.00 178.00 175.87 2kb4 s GLU 75 N -3.91 0.83 -0.26 0.86 2.02 -1.26 -5.08 118.70 111.90 2kb4 s GLU 75 Ca -0.01 -1.46 -0.29 0.00 0.02 0.00 0.00 54.97 53.23 2kb4 s GLU 75 Cb 0.11 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.51 2kb4 s GLU 75 CO 0.54 -1.13 1.20 -1.12 0.02 0.00 0.00 175.26 174.76 2kb4 s SER 76 N 1.01 6.87 0.21 -0.19 0.01 -1.15 -4.91 113.70 115.56 2kb4 s SER 76 Ca 0.15 1.31 -0.00 0.00 1.31 0.00 0.00 55.95 58.72 2kb4 s SER 76 Cb -0.22 -2.54 0.18 0.00 0.21 0.00 0.00 66.02 63.66 2kb4 s SER 76 CO -0.08 -0.89 1.54 -0.78 0.41 0.00 0.00 173.24 173.44 2kb4 h ASP 77 N 8.44 0.50 -3.72 2.44 3.58 -1.74 -3.43 116.42 122.50 2kb4 h ASP 77 Ca -0.24 -0.26 -0.38 0.00 0.42 0.00 0.00 57.03 56.57 2kb4 h ASP 77 Cb 1.08 -0.14 -0.14 0.00 1.72 0.00 0.00 39.33 41.85 2kb4 h ASP 77 CO 1.01 0.94 -0.69 0.27 -2.88 0.00 0.00 179.24 177.89 2kb4 s ILE 78 N -3.98 1.25 -0.14 2.25 -5.25 -1.23 -4.97 121.20 109.13 2kb4 s ILE 78 Ca -0.06 -2.08 -0.07 0.00 -0.99 0.00 0.00 60.65 57.45 2kb4 s ILE 78 Cb 0.12 -2.11 -0.04 0.00 2.95 0.00 0.00 42.46 43.37 2kb4 s ILE 78 CO 0.82 -0.53 0.11 -0.36 -1.79 0.00 0.00 174.94 173.19 2kb4 s PHE 79 N -3.28 3.46 0.08 1.37 0.08 -1.26 -4.40 117.98 114.03 2kb4 s PHE 79 Ca 0.23 0.39 0.06 0.00 0.12 0.00 0.00 56.93 57.73 2kb4 s PHE 79 Cb 0.03 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 2kb4 s PHE 79 CO 0.05 0.54 -0.16 -0.51 -0.10 0.00 0.00 175.22 175.04 2kb4 s LEU 80 N -0.54 2.29 -0.35 -0.37 1.43 -1.24 -4.39 118.68 115.50 2kb4 s LEU 80 Ca 0.12 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 2kb4 s LEU 80 Cb -0.12 -0.63 0.18 0.00 0.03 0.00 0.00 46.19 45.65 2kb4 s LEU 80 CO 0.02 -0.04 0.54 -0.62 0.23 0.00 0.00 176.35 176.49 2kb4 s ASP 81 N -1.82 -0.85 0.01 2.29 2.15 -1.25 -4.86 116.67 112.34 2kb4 s ASP 81 Ca 0.01 -0.56 -0.26 0.00 0.43 0.00 0.00 52.55 52.18 2kb4 s ASP 81 Cb -0.10 1.64 0.06 0.00 -0.30 0.00 0.00 42.92 44.22 2kb4 s ASP 81 CO 0.03 -0.25 0.58 -0.62 -0.17 0.00 0.00 175.17 174.74 2kb4 s ASP 82 N 2.18 -0.53 0.53 -0.34 -1.08 -1.26 -2.92 116.67 113.26 2kb4 s ASP 82 Ca 0.13 0.38 0.22 0.00 -0.52 0.00 0.00 52.55 52.77 2kb4 s ASP 82 Cb -0.09 0.51 1.46 0.00 -1.46 0.00 0.00 42.92 43.34 2kb4 s ASP 82 CO -0.16 -0.68 2.15 1.62 0.52 0.00 0.00 175.17 178.62 2kb4 h VAL 83 N 2.87 0.79 -0.55 1.11 3.04 -2.02 -2.63 116.25 118.85 2kb4 h VAL 83 Ca -0.29 -0.19 -0.08 0.00 -1.01 0.00 0.00 66.70 65.13 2kb4 h VAL 83 Cb 1.19 1.11 -0.05 0.00 -2.01 0.00 0.00 31.29 31.53 2kb4 h VAL 83 CO 0.40 0.05 0.10 0.35 -1.01 0.00 0.00 177.57 177.46 2kb4 n THR 84 N -4.12 2.43 -2.78 3.17 -2.24 -1.26 -4.91 114.28 104.57 2kb4 n THR 84 Ca -0.03 -1.26 -0.42 0.00 -2.27 0.00 0.00 64.05 60.07 2kb4 n THR 84 Cb 0.13 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.54 4.83 0.67 2.28 0.11 -0.99 -2.73 120.40 122.01 2kb4 s VAL 85 Ca 0.46 1.85 -0.11 0.00 -2.93 0.00 0.00 61.98 61.26 2kb4 s VAL 85 Cb 0.36 -4.23 -0.00 0.00 -1.53 0.00 0.00 36.38 30.98 2kb4 s VAL 85 CO 0.13 0.02 1.05 -0.44 -3.33 0.00 0.00 175.10 172.53 2kb4 s SER 86 N 1.11 5.68 0.19 3.54 0.01 -1.26 -4.94 113.70 118.03 2kb4 s SER 86 Ca 0.44 1.15 -0.12 0.00 1.31 0.00 0.00 55.95 58.73 2kb4 s SER 86 Cb -0.17 -2.04 0.12 0.00 0.21 0.00 0.00 66.02 64.13 2kb4 s SER 86 CO 0.15 -1.17 1.85 0.08 0.41 0.00 0.00 173.24 174.55 2kb4 h ARG 87 N -0.50 0.89 -4.72 12.44 -0.00 -1.96 -3.32 114.38 117.22 2kb4 h ARG 87 Ca -0.45 -0.07 -0.69 0.00 -0.00 0.00 0.00 59.98 58.77 2kb4 h ARG 87 Cb 1.24 -0.19 -0.29 0.00 -0.00 0.00 0.00 29.97 30.72 2kb4 h ARG 87 CO 0.63 0.61 -0.63 0.50 -0.00 0.00 0.00 179.97 181.09 2kb4 s ARG 88 N -6.05 2.66 0.00 0.08 6.06 -1.26 -2.91 118.95 117.52 2kb4 s ARG 88 Ca -0.13 -1.14 0.00 0.00 -2.50 0.00 0.00 55.73 51.96 2kb4 s ARG 88 Cb 0.14 -3.39 0.00 0.00 0.06 0.00 0.00 34.95 31.76 2kb4 s ARG 88 CO 0.77 -0.62 0.00 1.58 -2.50 0.00 0.00 175.30 174.53 2kb4 n HIS 89 N 4.78 0.00 -4.27 5.12 -0.00 -0.85 -4.13 115.22 115.89 2kb4 n HIS 89 Ca -0.13 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.77 2kb4 n HIS 89 Cb 0.45 0.00 -0.17 0.00 -0.12 0.00 0.00 29.99 30.15 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 -3.13 1.58 -0.17 1.57 0.00 -0.77 0.37 121.76 121.21 2kb4 s ALA 90 Ca 0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 2kb4 s ALA 90 Cb 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 2kb4 s ALA 90 CO 0.00 -0.18 -0.04 -1.21 0.00 0.00 0.00 175.76 174.32 2kb4 s GLU 91 N 1.20 3.58 -0.34 0.00 2.02 0.76 -0.59 118.70 125.34 2kb4 s GLU 91 Ca -0.03 -0.56 -0.11 0.00 0.02 0.00 0.00 54.97 54.30 2kb4 s GLU 91 Cb -0.14 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 31.17 2kb4 s GLU 91 CO -0.04 0.13 0.19 -0.06 0.02 0.00 0.00 175.26 175.50 2kb4 s PHE 92 N 0.64 3.21 -0.22 1.61 0.40 0.69 -0.40 117.98 123.91 2kb4 s PHE 92 Ca -0.03 -0.63 -0.05 0.00 -0.60 0.00 0.00 56.93 55.62 2kb4 s PHE 92 Cb -0.15 -2.41 -0.02 0.00 0.51 0.00 0.00 43.02 40.95 2kb4 s PHE 92 CO 0.02 -0.51 0.01 1.03 0.70 0.00 0.00 175.22 176.47 2kb4 s ARG 93 N 1.62 3.57 -0.23 0.44 0.52 0.11 -0.10 118.95 124.87 2kb4 s ARG 93 Ca 0.04 -0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 54.70 2kb4 s ARG 93 Cb -0.18 -3.12 0.02 0.00 0.52 0.00 0.00 34.95 32.19 2kb4 s ARG 93 CO 0.07 -0.08 -0.08 -1.50 0.02 0.00 0.00 175.30 173.74 2kb4 s ILE 94 N 1.24 2.86 0.06 1.52 -1.16 0.75 -0.28 121.20 126.19 2kb4 s ILE 94 Ca 0.04 -0.90 0.08 0.00 -0.51 0.00 0.00 60.65 59.36 2kb4 s ILE 94 Cb -0.15 -2.39 -0.03 0.00 0.61 0.00 0.00 42.46 40.50 2kb4 s ILE 94 CO 0.01 0.30 -0.22 0.20 -2.81 0.00 0.00 174.94 172.42 2kb4 s ASN 95 N 1.35 3.56 0.64 4.50 -0.87 -0.09 -4.65 114.94 119.38 2kb4 s ASN 95 Ca 0.02 -0.53 0.34 0.00 -1.57 0.00 0.00 52.86 51.12 2kb4 s ASN 95 Cb -0.16 -0.46 1.85 0.00 -0.02 0.00 0.00 41.25 42.47 2kb4 s ASN 95 CO -0.05 0.24 2.10 1.05 -2.57 0.00 0.00 177.10 177.86 2kb4 h GLU 96 N 4.44 0.00 0.02 -0.60 4.11 -1.79 -1.90 114.58 118.86 2kb4 h GLU 96 Ca -0.48 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.60 2kb4 h GLU 96 Cb 1.15 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 2kb4 h GLU 96 CO 0.45 0.00 -2.17 0.41 0.07 0.00 0.00 179.01 177.77 2kb4 n GLY 97 N -1.25 -0.80 3.19 1.06 0.00 -1.26 -5.01 105.19 101.12 2kb4 n GLY 97 Ca -0.01 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 2kb4 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb4 s GLU 98 N -2.54 0.46 -0.31 1.61 0.41 -0.71 -5.13 118.70 112.49 2kb4 s GLU 98 Ca -0.16 0.12 -0.08 0.00 -0.41 0.00 0.00 54.97 54.44 2kb4 s GLU 98 Cb 0.07 0.21 0.01 0.00 -1.78 0.00 0.00 34.13 32.64 2kb4 s GLU 98 CO 0.77 -0.09 0.12 -0.06 -0.49 0.00 0.00 175.26 175.51 2kb4 s PHE 99 N -0.49 3.17 -0.03 1.61 0.40 -1.26 -0.91 117.98 120.47 2kb4 s PHE 99 Ca -0.06 -0.87 0.02 0.00 -0.60 0.00 0.00 56.93 55.42 2kb4 s PHE 99 Cb -0.04 -2.31 0.01 0.00 0.51 0.00 0.00 43.02 41.19 2kb4 s PHE 99 CO 0.02 -0.55 -0.09 -2.00 0.70 0.00 0.00 175.22 173.30 2kb4 s GLU 100 N 1.54 0.97 -0.21 0.44 2.12 0.61 0.08 118.70 124.25 2kb4 s GLU 100 Ca 0.03 -0.29 -0.02 0.00 0.36 0.00 0.00 54.97 55.05 2kb4 s GLU 100 Cb -0.17 -0.90 0.00 0.00 0.26 0.00 0.00 34.13 33.32 2kb4 s GLU 100 CO 0.04 0.09 -0.09 0.54 -0.54 0.00 0.00 175.26 175.30 2kb4 s VAL 101 N 0.27 2.95 -0.29 3.70 0.11 0.72 0.06 120.40 127.93 2kb4 s VAL 101 Ca -0.04 -0.67 -0.05 0.00 -2.93 0.00 0.00 61.98 58.29 2kb4 s VAL 101 Cb -0.09 -2.34 0.02 0.00 -1.53 0.00 0.00 36.38 32.44 2kb4 s VAL 101 CO 0.01 0.43 0.04 -0.69 -3.33 0.00 0.00 175.10 171.56 2kb4 s VAL 102 N 1.41 3.57 -0.19 2.04 1.01 0.46 -0.88 120.40 127.82 2kb4 s VAL 102 Ca 0.05 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 2kb4 s VAL 102 Cb -0.14 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2kb4 s VAL 102 CO -0.06 0.07 0.04 -0.62 0.00 0.00 0.00 175.10 174.53 2kb4 s ASP 103 N 1.42 5.33 -0.04 3.32 2.15 -1.21 -0.17 116.67 127.47 2kb4 s ASP 103 Ca 0.01 -0.04 0.08 0.00 0.43 0.00 0.00 52.55 53.03 2kb4 s ASP 103 Cb -0.17 -1.92 0.18 0.00 -0.30 0.00 0.00 42.92 40.71 2kb4 s ASP 103 CO 0.00 0.12 1.13 1.33 -0.17 0.00 0.00 175.17 177.59 2kb4 n VAL 104 N 3.88 1.27 -2.12 1.11 0.24 0.16 -4.60 118.33 118.27 2kb4 n VAL 104 Ca -0.17 -1.29 -0.40 0.00 -2.04 0.00 0.00 64.34 60.44 2kb4 n VAL 104 Cb 0.52 0.31 0.03 0.00 -1.47 0.00 0.00 33.84 33.23 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 -0.39 5.69 0.24 7.63 0.00 -0.89 -4.73 105.19 112.74 2kb4 n GLY 105 Ca 0.08 -2.52 0.16 0.00 0.00 0.00 0.00 46.02 43.74 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kb4 h SER 106 N 3.27 0.00 -1.00 1.61 0.02 -1.90 0.12 113.55 115.68 2kb4 h SER 106 Ca 0.55 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.54 2kb4 h SER 106 Cb 0.13 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.61 2kb4 h SER 106 CO 1.35 0.00 0.65 -0.07 -1.14 0.00 0.00 176.83 177.62 2kb4 h LEU 107 N 0.00 1.08 0.01 5.07 3.38 -1.85 -2.99 115.31 120.01 2kb4 h LEU 107 Ca 0.00 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 2kb4 h LEU 107 Cb 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2kb4 h LEU 107 CO 0.00 0.72 -1.43 -3.20 0.09 0.00 0.00 178.44 174.63 2kb4 n ASN 108 N -4.46 1.89 -0.70 -0.43 2.85 -0.32 -4.89 115.26 109.20 2kb4 n ASN 108 Ca 0.14 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 55.00 2kb4 n ASN 108 Cb 0.12 -0.94 0.00 0.00 1.24 0.00 0.00 39.78 40.20 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 1.48 -1.37 3.61 8.20 0.00 0.26 -3.63 105.19 113.74 2kb4 n GLY 109 Ca -0.34 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 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 5.11 0.23 2.61 2.01 -1.26 -0.56 115.64 123.78 2kb4 s THR 110 Ca 0.00 0.75 0.01 0.00 0.31 0.00 0.00 61.69 62.76 2kb4 s THR 110 Cb 0.00 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2kb4 s THR 110 CO 0.00 0.12 0.08 -0.31 -0.69 0.00 0.00 174.62 173.82 2kb4 s TYR 111 N 2.20 1.39 -0.06 4.92 2.02 0.12 -4.31 117.35 123.62 2kb4 s TYR 111 Ca 0.19 -1.19 -0.01 0.00 -0.37 0.00 0.00 57.07 55.69 2kb4 s TYR 111 Cb -0.16 -0.79 -0.03 0.00 -0.40 0.00 0.00 41.96 40.58 2kb4 s TYR 111 CO 0.09 -0.37 0.01 0.08 -1.57 0.00 0.00 175.55 173.79 2kb4 s VAL 112 N -3.82 4.33 0.35 0.71 1.01 -0.08 0.10 120.40 122.99 2kb4 s VAL 112 Ca 0.35 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 62.09 2kb4 s VAL 112 Cb 0.07 -2.86 0.33 0.00 0.00 0.00 0.00 36.38 33.92 2kb4 s VAL 112 CO 0.11 0.53 1.80 -1.13 0.00 0.00 0.00 175.10 176.41 2kb4 h ASN 113 N 4.85 0.65 0.42 3.32 -1.24 -0.37 -0.95 115.58 122.25 2kb4 h ASN 113 Ca -0.50 0.08 -0.31 0.00 0.71 0.00 0.00 56.30 56.27 2kb4 h ASN 113 Cb 1.19 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 40.19 2kb4 h ASN 113 CO 0.56 0.24 -1.55 -0.09 -1.29 0.00 0.00 177.43 175.30 2kb4 h ARG 114 N 0.64 0.28 -4.57 6.67 2.43 -1.95 -3.46 114.38 114.42 2kb4 h ARG 114 Ca 0.54 -0.48 -0.62 0.00 -0.81 0.00 0.00 59.98 58.61 2kb4 h ARG 114 Cb 1.01 0.18 -0.37 0.00 -0.42 0.00 0.00 29.97 30.37 2kb4 h ARG 114 CO -0.30 1.16 -0.81 -2.00 -1.51 0.00 0.00 179.97 176.51 2kb4 s GLU 115 N -2.61 2.02 0.00 0.20 2.56 -0.36 -5.00 118.70 115.50 2kb4 s GLU 115 Ca -0.10 -0.87 0.00 0.00 0.00 0.00 0.00 54.97 54.00 2kb4 s GLU 115 Cb 0.06 -2.44 0.00 0.00 2.00 0.00 0.00 34.13 33.75 2kb4 s GLU 115 CO 0.86 -0.44 1.76 -0.35 -0.56 0.00 0.00 175.26 176.53 2kb4 n PRO 116 N 4.67 0.94 -4.35 4.30 -0.04 -1.25 -0.91 135.00 138.37 2kb4 n PRO 116 Ca -0.15 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.99 2kb4 n PRO 116 Cb 0.46 -1.03 -0.09 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.12 2.64 0.15 0.54 0.52 -1.26 -4.96 118.95 116.70 2kb4 s ARG 117 Ca 0.00 -0.69 -0.09 0.00 -0.52 0.00 0.00 55.73 54.43 2kb4 s ARG 117 Cb 0.00 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.88 2kb4 s ARG 117 CO 0.00 0.60 1.44 -0.97 0.02 0.00 0.00 175.30 176.39 2kb4 h ASN 118 N 4.33 0.86 -3.87 0.23 -0.00 -1.88 -3.37 115.58 111.86 2kb4 h ASN 118 Ca -0.49 -0.46 -0.68 0.00 -0.00 0.00 0.00 56.30 54.67 2kb4 h ASN 118 Cb 1.17 -0.25 -0.25 0.00 -0.00 0.00 0.00 38.32 38.99 2kb4 h ASN 118 CO 0.56 1.23 -0.79 0.00 -0.00 0.00 0.00 177.43 178.43 2kb4 s ALA 119 N -4.08 2.57 0.02 1.57 0.00 -1.26 -3.35 121.76 117.23 2kb4 s ALA 119 Ca -0.10 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 2kb4 s ALA 119 Cb 0.11 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 2kb4 s ALA 119 CO 0.87 0.46 0.06 -0.65 0.00 0.00 0.00 175.76 176.51 2kb4 s GLN 120 N -0.39 0.43 -0.03 0.00 -1.52 -0.06 -5.00 119.66 113.10 2kb4 s GLN 120 Ca 0.04 -0.55 -0.30 0.00 -1.95 0.00 0.00 55.36 52.60 2kb4 s GLN 120 Cb -0.12 0.17 -0.03 0.00 -0.22 0.00 0.00 33.01 32.81 2kb4 s GLN 120 CO 0.02 -0.09 0.99 0.54 -0.25 0.00 0.00 175.29 176.50 2kb4 s VAL 121 N -1.63 4.83 0.32 1.09 0.11 -1.26 -0.20 120.40 123.66 2kb4 s VAL 121 Ca -0.14 2.04 -0.29 0.00 -2.93 0.00 0.00 61.98 60.67 2kb4 s VAL 121 Cb -0.07 -4.31 -0.11 0.00 -1.53 0.00 0.00 36.38 30.35 2kb4 s VAL 121 CO -0.00 0.12 1.56 -0.04 -3.33 0.00 0.00 175.10 173.40 2kb4 s MET 122 N 1.27 4.12 -0.20 1.54 -1.94 0.11 -4.92 119.30 119.29 2kb4 s MET 122 Ca 0.51 2.57 -0.05 0.00 -1.71 0.00 0.00 55.69 57.01 2kb4 s MET 122 Cb -0.20 -3.01 -0.02 0.00 2.01 0.00 0.00 34.83 33.60 2kb4 s MET 122 CO 0.25 -0.60 0.00 -1.14 -0.01 0.00 0.00 175.02 173.53 2kb4 s GLN 123 N -1.01 3.63 -0.33 2.03 -0.44 -1.26 -4.87 119.66 117.41 2kb4 s GLN 123 Ca 0.60 -0.52 -0.29 0.00 -2.50 0.00 0.00 55.36 52.65 2kb4 s GLN 123 Cb -0.47 -3.07 0.01 0.00 -1.64 0.00 0.00 33.01 27.84 2kb4 s GLN 123 CO 0.53 0.03 1.14 0.95 0.50 0.00 0.00 175.29 178.44 2kb4 s THR 124 N 0.95 4.38 0.00 -0.34 -4.23 -1.26 -3.05 115.64 112.09 2kb4 s THR 124 Ca 0.01 1.57 0.00 0.00 -1.18 0.00 0.00 61.69 62.09 2kb4 s THR 124 Cb -0.14 -4.37 0.00 0.00 1.34 0.00 0.00 72.50 69.33 2kb4 s THR 124 CO 0.02 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 2kb4 n GLY 125 N 4.09 1.05 3.78 3.99 0.00 0.21 -4.90 105.19 113.41 2kb4 n GLY 125 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 4.27 -0.11 1.61 2.15 -1.17 -4.94 116.67 116.48 2kb4 s ASP 126 Ca 0.00 -1.44 -0.01 0.00 0.43 0.00 0.00 52.55 51.53 2kb4 s ASP 126 Cb 0.00 0.25 -0.03 0.00 -0.30 0.00 0.00 42.92 42.85 2kb4 s ASP 126 CO 0.00 -0.83 -0.07 -0.70 -0.17 0.00 0.00 175.17 173.41 2kb4 s GLU 127 N -3.96 3.16 -0.24 4.34 2.12 -1.26 -1.60 118.70 121.25 2kb4 s GLU 127 Ca 0.21 -0.56 -0.09 0.00 0.36 0.00 0.00 54.97 54.90 2kb4 s GLU 127 Cb 0.02 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 2kb4 s GLU 127 CO 0.12 0.46 0.11 0.42 -0.54 0.00 0.00 175.26 175.82 2kb4 s ILE 128 N -0.24 4.79 -0.38 -3.70 1.01 0.18 0.44 121.20 123.29 2kb4 s ILE 128 Ca 0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.51 2kb4 s ILE 128 Cb -0.13 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.12 2kb4 s ILE 128 CO 0.03 0.35 0.39 -1.10 0.00 0.00 0.00 174.94 174.60 2kb4 s GLN 129 N 1.29 3.30 -0.57 2.79 -0.21 0.12 -1.32 119.66 125.05 2kb4 s GLN 129 Ca 0.06 -0.63 -0.14 0.00 0.02 0.00 0.00 55.36 54.67 2kb4 s GLN 129 Cb -0.15 -3.89 0.14 0.00 1.00 0.00 0.00 33.01 30.11 2kb4 s GLN 129 CO 0.05 -0.69 0.50 0.96 -2.12 0.00 0.00 175.29 173.99 2kb4 s ILE 130 N 2.03 4.99 0.00 1.08 -4.36 -0.69 -0.71 121.20 123.54 2kb4 s ILE 130 Ca 0.11 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 2kb4 s ILE 130 Cb -0.17 -4.20 0.00 0.00 1.25 0.00 0.00 42.46 39.34 2kb4 s ILE 130 CO 0.12 -0.87 0.00 0.61 0.24 0.00 0.00 174.94 175.04 2kb4 n GLY 131 N 4.92 2.04 0.00 6.27 0.00 0.27 -2.06 105.19 116.64 2kb4 n GLY 131 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 4.83 1.16 -3.85 1.61 5.02 -1.26 -4.93 118.16 120.73 2kb4 n LYS 132 Ca 0.00 -0.94 -0.30 0.00 -2.02 0.00 0.00 58.31 55.06 2kb4 n LYS 132 Cb 0.00 -0.88 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2kb4 s PHE 133 N -0.48 3.50 -0.09 2.13 -0.71 -0.87 -5.09 117.98 116.37 2kb4 s PHE 133 Ca 0.00 0.29 0.03 0.00 -1.04 0.00 0.00 56.93 56.21 2kb4 s PHE 133 Cb 0.00 -1.80 -0.01 0.00 -1.21 0.00 0.00 43.02 40.00 2kb4 s PHE 133 CO 0.00 0.52 -0.20 1.03 -1.34 0.00 0.00 175.22 175.22 2kb4 s ARG 134 N -2.80 2.94 -0.04 1.99 0.52 -1.03 -1.70 118.95 118.83 2kb4 s ARG 134 Ca 0.36 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.81 2kb4 s ARG 134 Cb -0.12 -2.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 2kb4 s ARG 134 CO 0.28 0.29 -0.20 -1.17 0.02 0.00 0.00 175.30 174.52 2kb4 s LEU 135 N 0.09 1.98 -0.08 2.53 0.20 -0.43 -1.09 118.68 121.88 2kb4 s LEU 135 Ca -0.09 -0.39 0.02 0.00 0.69 0.00 0.00 54.13 54.35 2kb4 s LEU 135 Cb -0.15 -1.08 -0.03 0.00 -0.43 0.00 0.00 46.19 44.50 2kb4 s LEU 135 CO 0.06 0.19 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.51 2kb4 s VAL 136 N -0.12 3.33 -0.27 1.68 1.01 0.10 0.50 120.40 126.62 2kb4 s VAL 136 Ca -0.01 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 2kb4 s VAL 136 Cb -0.11 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 2kb4 s VAL 136 CO 0.02 0.58 0.08 0.12 0.00 0.00 0.00 175.10 175.89 2kb4 s PHE 137 N -0.50 3.11 0.03 5.22 5.36 -0.63 -0.28 117.98 130.29 2kb4 s PHE 137 Ca 0.07 -0.71 0.07 0.00 -0.96 0.00 0.00 56.93 55.41 2kb4 s PHE 137 Cb -0.12 -2.25 -0.03 0.00 -0.34 0.00 0.00 43.02 40.28 2kb4 s PHE 137 CO 0.02 -0.48 -0.21 -0.51 -1.46 0.00 0.00 175.22 172.59 2kb4 s LEU 138 N 1.56 2.45 -0.82 6.12 2.01 0.21 -0.62 118.68 129.59 2kb4 s LEU 138 Ca 0.05 -0.45 -0.15 0.00 0.01 0.00 0.00 54.13 53.58 2kb4 s LEU 138 Cb -0.16 -1.44 0.19 0.00 0.01 0.00 0.00 46.19 44.79 2kb4 s LEU 138 CO 0.03 0.27 0.82 0.00 1.01 0.00 0.00 176.35 178.48 2kb4 s ALA 139 N -0.84 3.87 0.00 4.21 0.00 -1.26 -2.04 121.76 125.70 2kb4 s ALA 139 Ca 0.13 -3.10 0.00 0.00 0.00 0.00 0.00 51.96 48.99 2kb4 s ALA 139 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2kb4 s ALA 139 CO 0.03 -2.41 0.00 0.41 0.00 0.00 0.00 175.76 173.79 2kb4 n GLY 140 N 4.44 -0.25 3.71 0.00 0.00 -1.26 -4.99 105.19 106.83 2kb4 n GLY 140 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2kb4 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kb4 s PRO 141 N -0.77 4.44 -0.31 1.61 0.02 -1.26 -5.01 135.00 133.71 2kb4 s PRO 141 Ca 0.00 1.66 -0.05 0.00 0.02 0.00 0.00 61.00 62.63 2kb4 s PRO 141 Cb 0.00 -3.42 0.03 0.00 0.02 0.00 0.00 34.50 31.13 2kb4 s PRO 141 CO 0.00 -0.26 0.06 0.00 -0.33 0.00 0.00 177.00 176.48 2kb4 s ALA 142 N 1.34 2.98 -2.46 -1.55 0.00 -1.26 -4.26 121.76 116.54 2kb4 s ALA 142 Ca 0.56 -1.66 0.20 0.00 0.00 0.00 0.00 51.96 51.06 2kb4 s ALA 142 Cb -0.26 -2.13 0.16 0.00 0.00 0.00 0.00 23.12 20.88 2kb4 s ALA 142 CO 0.27 -1.19 1.12 -1.91 0.00 0.00 0.00 175.76 174.06