#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 0.06 0.00 7.83 4.64 -2.08 -3.46 113.55 120.54 2kb4 h SER 2 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2kb4 h SER 2 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2kb4 h SER 2 CO 0.00 0.49 0.00 -0.67 -0.87 0.00 0.00 176.83 175.78 2kb4 n ASP 3 N -4.01 0.00 -4.52 4.97 2.03 -1.26 -4.78 116.55 108.97 2kb4 n ASP 3 Ca -0.02 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.87 2kb4 n ASP 3 Cb 0.47 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.83 2kb4 n ASP 3 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kb4 s ASN 4 N 0.00 6.33 -0.04 1.67 -0.87 -1.26 -4.93 114.94 115.83 2kb4 s ASN 4 Ca 0.00 -0.37 -0.30 0.00 -1.57 0.00 0.00 52.86 50.62 2kb4 s ASN 4 Cb 0.00 -2.46 0.08 0.00 -0.02 0.00 0.00 41.25 38.85 2kb4 s ASN 4 CO 0.00 -1.32 0.73 0.54 -2.57 0.00 0.00 177.10 174.48 2kb4 s ASN 5 N 3.00 -0.60 0.56 -1.22 4.22 -1.26 -5.16 114.94 114.48 2kb4 s ASN 5 Ca 0.31 0.57 -0.03 0.00 -2.14 0.00 0.00 52.86 51.57 2kb4 s ASN 5 Cb -0.12 0.50 0.02 0.00 1.28 0.00 0.00 41.25 42.93 2kb4 s ASN 5 CO 0.19 -0.61 0.83 -0.83 -2.04 0.00 0.00 177.10 174.64 2kb4 s GLY 6 N -1.39 1.64 0.02 0.45 0.00 -1.26 -5.05 107.32 101.73 2kb4 s GLY 6 Ca -0.08 -0.94 -0.25 0.00 0.00 0.00 0.00 44.72 43.45 2kb4 s GLY 6 CO 0.06 -0.68 0.77 -0.51 0.00 0.00 0.00 173.10 172.74 2kb4 s THR 7 N -2.86 4.80 0.10 0.90 -4.23 -1.26 -5.01 115.64 108.08 2kb4 s THR 7 Ca 0.54 1.63 -0.31 0.00 -1.18 0.00 0.00 61.69 62.37 2kb4 s THR 7 Cb -0.10 -4.12 -0.08 0.00 1.34 0.00 0.00 72.50 69.53 2kb4 s THR 7 CO 0.42 0.33 1.55 -2.84 -0.54 0.00 0.00 174.62 173.53 2kb4 s PRO 8 N 0.19 4.24 -0.30 3.99 0.02 -1.26 -4.97 135.00 136.92 2kb4 s PRO 8 Ca 0.40 2.24 -0.15 0.00 0.02 0.00 0.00 61.00 63.51 2kb4 s PRO 8 Cb -0.20 -3.40 -0.03 0.00 0.02 0.00 0.00 34.50 30.90 2kb4 s PRO 8 CO 0.23 -0.62 0.39 -1.21 -0.33 0.00 0.00 177.00 175.45 2kb4 s GLU 9 N 1.87 3.84 0.35 5.54 0.41 -1.26 -5.04 118.70 124.41 2kb4 s GLU 9 Ca 0.70 -0.11 -0.28 0.00 -0.41 0.00 0.00 54.97 54.86 2kb4 s GLU 9 Cb -0.39 -3.72 -0.10 0.00 -1.78 0.00 0.00 34.13 28.14 2kb4 s GLU 9 CO 0.31 -0.39 1.32 -2.14 -0.49 0.00 0.00 175.26 173.87 2kb4 s PRO 10 N 2.09 4.25 -0.30 0.39 0.02 -1.26 -5.01 135.00 135.19 2kb4 s PRO 10 Ca 0.14 2.23 0.01 0.00 0.02 0.00 0.00 61.00 63.41 2kb4 s PRO 10 Cb -0.16 -2.99 0.15 0.00 0.02 0.00 0.00 34.50 31.52 2kb4 s PRO 10 CO 0.11 -0.28 0.35 1.14 -0.33 0.00 0.00 177.00 177.99 2kb4 s GLN 11 N -1.92 0.40 -0.13 5.54 -2.07 -1.26 -5.12 119.66 115.11 2kb4 s GLN 11 Ca 0.51 -0.14 -0.29 0.00 -1.82 0.00 0.00 55.36 53.62 2kb4 s GLN 11 Cb -0.40 -0.53 -0.04 0.00 -1.09 0.00 0.00 33.01 30.96 2kb4 s GLN 11 CO 0.53 -1.06 1.57 0.08 -1.32 0.00 0.00 175.29 175.09 2kb4 s VAL 12 N 2.31 3.75 -0.09 3.63 1.01 -1.26 -5.00 120.40 124.75 2kb4 s VAL 12 Ca 0.10 0.89 -0.13 0.00 0.00 0.00 0.00 61.98 62.84 2kb4 s VAL 12 Cb -0.13 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2kb4 s VAL 12 CO -0.28 -0.15 0.31 -1.83 0.00 0.00 0.00 175.10 173.15 2kb4 s GLU 13 N 4.16 3.96 0.00 2.72 -1.05 -1.26 -5.07 118.70 122.16 2kb4 s GLU 13 Ca 0.69 0.18 -0.18 0.00 -0.15 0.00 0.00 54.97 55.52 2kb4 s GLU 13 Cb -0.28 -3.30 0.03 0.00 -0.44 0.00 0.00 34.13 30.14 2kb4 s GLU 13 CO 0.27 0.52 0.39 -0.08 0.95 0.00 0.00 175.26 177.31 2kb4 s THR 14 N -0.43 0.05 -0.65 1.83 -1.32 -1.26 -5.08 115.64 108.78 2kb4 s THR 14 Ca 0.19 -0.42 0.05 0.00 -1.21 0.00 0.00 61.69 60.30 2kb4 s THR 14 Cb -0.14 -0.81 0.16 0.00 -1.51 0.00 0.00 72.50 70.21 2kb4 s THR 14 CO 0.08 -0.23 0.45 -0.89 -2.21 0.00 0.00 174.62 171.81 2kb4 s THR 15 N -1.78 2.59 -0.74 5.08 2.01 -1.26 -5.05 115.64 116.50 2kb4 s THR 15 Ca -0.10 -3.99 -0.25 0.00 0.31 0.00 0.00 61.69 57.66 2kb4 s THR 15 Cb -0.03 -2.72 0.04 0.00 0.01 0.00 0.00 72.50 69.81 2kb4 s THR 15 CO 0.02 -1.00 1.20 -0.44 -0.69 0.00 0.00 174.62 173.71 2kb4 s SER 16 N -1.15 6.19 -0.01 3.53 0.01 -1.26 -4.96 113.70 116.05 2kb4 s SER 16 Ca 0.25 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 56.84 2kb4 s SER 16 Cb -0.07 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.65 2kb4 s SER 16 CO -0.15 -1.70 -0.02 0.54 0.41 0.00 0.00 173.24 172.33 2kb4 s VAL 17 N 5.20 0.18 0.43 3.43 0.11 -1.26 -5.15 120.40 123.33 2kb4 s VAL 17 Ca 0.32 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.34 2kb4 s VAL 17 Cb -0.10 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 2kb4 s VAL 17 CO 0.12 0.08 0.63 -0.36 -3.33 0.00 0.00 175.10 172.25 2kb4 s PHE 18 N 0.30 3.24 -0.16 1.54 0.08 -1.26 -5.08 117.98 116.64 2kb4 s PHE 18 Ca -0.03 0.20 -0.07 0.00 0.12 0.00 0.00 56.93 57.15 2kb4 s PHE 18 Cb -0.05 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.13 2kb4 s PHE 18 CO -0.01 -0.26 0.07 1.03 -0.10 0.00 0.00 175.22 175.95 2kb4 s ARG 19 N -4.49 3.80 -0.90 0.44 0.52 -1.26 -5.02 118.95 112.05 2kb4 s ARG 19 Ca 0.47 -0.31 -0.23 0.00 -0.52 0.00 0.00 55.73 55.14 2kb4 s ARG 19 Cb -0.10 -3.18 0.06 0.00 0.52 0.00 0.00 34.95 32.26 2kb4 s ARG 19 CO 0.37 0.40 1.29 0.00 0.02 0.00 0.00 175.30 177.38 2kb4 s ALA 20 N 0.00 2.90 -0.13 2.13 0.00 -1.26 -4.81 121.76 120.60 2kb4 s ALA 20 Ca 0.06 -2.12 -0.20 0.00 0.00 0.00 0.00 51.96 49.71 2kb4 s ALA 20 Cb -0.12 -4.29 -0.18 0.00 0.00 0.00 0.00 23.12 18.53 2kb4 s ALA 20 CO 0.01 -3.32 0.53 -0.44 0.00 0.00 0.00 175.76 172.54 2kb4 h ASP 21 N 9.63 -0.00 -5.65 0.00 3.32 -2.06 -3.49 116.42 118.16 2kb4 h ASP 21 Ca 0.03 -0.67 -0.21 0.00 0.02 0.00 0.00 57.03 56.19 2kb4 h ASP 21 Cb 1.03 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.68 2kb4 h ASP 21 CO 1.30 0.83 -0.60 0.18 -1.72 0.00 0.00 179.24 179.24 2kb4 n LEU 22 N -4.67 -5.28 -4.81 1.55 7.99 -1.26 -4.98 117.00 105.54 2kb4 n LEU 22 Ca -0.07 -0.57 -0.38 0.00 -0.01 0.00 0.00 56.01 54.98 2kb4 n LEU 22 Cb 0.32 -3.00 -0.06 0.00 -0.11 0.00 0.00 43.42 40.58 2kb4 n LEU 22 CO 0.23 -0.23 0.32 -0.76 -1.51 0.00 0.00 177.39 175.44 2kb4 s LEU 23 N -5.09 4.52 -0.19 2.23 1.43 -1.26 -4.96 118.68 115.36 2kb4 s LEU 23 Ca 0.28 1.34 0.13 0.00 -1.03 0.00 0.00 54.13 54.85 2kb4 s LEU 23 Cb -0.06 -3.04 0.43 0.00 0.03 0.00 0.00 46.19 43.56 2kb4 s LEU 23 CO 0.78 0.24 1.20 2.29 0.23 0.00 0.00 176.35 181.08 2kb4 n LYS 24 N 1.57 1.75 -2.21 1.70 0.00 -1.26 -5.01 118.16 114.70 2kb4 n LYS 24 Ca -0.09 -3.28 -0.41 0.00 -0.00 0.00 0.00 58.31 54.54 2kb4 n LYS 24 Cb 0.50 -1.49 -0.03 0.00 -0.00 0.00 0.00 35.03 34.02 2kb4 n LYS 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2kb4 s GLU 25 N -2.81 3.08 -0.16 -1.58 2.12 -1.26 -4.94 118.70 113.15 2kb4 s GLU 25 Ca 0.39 0.66 0.01 0.00 0.36 0.00 0.00 54.97 56.39 2kb4 s GLU 25 Cb 0.38 -4.23 0.02 0.00 0.26 0.00 0.00 34.13 30.57 2kb4 s GLU 25 CO -0.06 -2.19 -0.16 -1.64 -0.54 0.00 0.00 175.26 170.67 2kb4 s MET 26 N 6.05 2.49 0.09 4.30 -1.94 -1.26 -5.09 119.30 123.94 2kb4 s MET 26 Ca 0.62 -0.65 0.01 0.00 -1.71 0.00 0.00 55.69 53.96 2kb4 s MET 26 Cb -0.13 -2.25 -0.04 0.00 2.01 0.00 0.00 34.83 34.41 2kb4 s MET 26 CO 0.25 -0.24 -0.05 -1.83 -0.01 0.00 0.00 175.02 173.14 2kb4 s GLU 27 N 1.43 0.81 -0.40 2.03 4.04 -1.26 -2.21 118.70 123.13 2kb4 s GLU 27 Ca 0.05 -1.33 0.06 0.00 0.04 0.00 0.00 54.97 53.79 2kb4 s GLU 27 Cb -0.13 -0.11 0.22 0.00 0.02 0.00 0.00 34.13 34.13 2kb4 s GLU 27 CO -0.11 -0.05 0.45 0.45 -1.84 0.00 0.00 175.26 174.15 2kb4 n SER 28 N -0.02 -0.05 -4.56 0.83 2.88 0.63 -4.96 113.62 108.35 2kb4 n SER 28 Ca -0.12 -2.57 -0.31 0.00 -1.33 0.00 0.00 58.87 54.54 2kb4 n SER 28 Cb 0.61 -0.60 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2kb4 n SER 28 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kb4 s SER 29 N -0.68 5.56 -0.06 -3.46 0.15 -1.26 -3.89 113.70 110.06 2kb4 s SER 29 Ca 0.34 -1.10 0.01 0.00 0.70 0.00 0.00 55.95 55.89 2kb4 s SER 29 Cb 0.11 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.88 2kb4 s SER 29 CO -0.15 -2.39 -0.05 0.42 1.20 0.00 0.00 173.24 172.27 2kb4 s THR 30 N 8.61 0.62 -1.46 6.45 -4.23 -1.26 -5.01 115.64 119.36 2kb4 s THR 30 Ca 0.63 -0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.89 2kb4 s THR 30 Cb -0.04 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 2kb4 s THR 30 CO -0.01 0.26 2.54 0.61 -0.54 0.00 0.00 174.62 177.48 2kb4 n GLY 31 N 4.34 4.14 3.88 3.99 0.00 -1.24 -3.60 105.19 116.70 2kb4 n GLY 31 Ca -0.20 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 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 2.85 5.40 -0.32 2.61 2.01 -1.07 -4.97 115.64 122.15 2kb4 s THR 32 Ca 0.58 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 2kb4 s THR 32 Cb 0.16 -3.50 -0.00 0.00 0.01 0.00 0.00 72.50 69.16 2kb4 s THR 32 CO -0.06 0.48 1.44 0.00 -0.69 0.00 0.00 174.62 175.79 2kb4 s ALA 33 N -1.17 3.21 0.82 7.40 0.00 -1.26 -3.79 121.76 126.96 2kb4 s ALA 33 Ca 0.22 0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 2kb4 s ALA 33 Cb -0.13 -3.86 0.15 0.00 0.00 0.00 0.00 23.12 19.29 2kb4 s ALA 33 CO 0.11 -2.06 1.13 -1.25 0.00 0.00 0.00 175.76 173.69 2kb4 s PRO 34 N 4.61 1.28 0.27 0.00 0.05 -1.26 -5.06 135.00 134.89 2kb4 s PRO 34 Ca 0.63 -0.79 -0.15 0.00 0.05 0.00 0.00 61.00 60.73 2kb4 s PRO 34 Cb -0.18 -2.13 0.01 0.00 0.05 0.00 0.00 34.50 32.25 2kb4 s PRO 34 CO 0.28 -1.83 0.57 0.00 0.05 0.00 0.00 177.00 176.07 2kb4 s ALA 35 N -3.45 -0.56 -0.68 8.56 0.00 -1.26 -5.07 121.76 119.30 2kb4 s ALA 35 Ca 0.69 -0.70 -0.26 0.00 0.00 0.00 0.00 51.96 51.69 2kb4 s ALA 35 Cb -0.05 0.98 -0.06 0.00 0.00 0.00 0.00 23.12 24.00 2kb4 s ALA 35 CO 0.48 -0.92 2.10 -1.12 0.00 0.00 0.00 175.76 176.30 2kb4 s SER 36 N -2.99 4.81 -0.70 0.00 0.01 -1.26 -4.88 113.70 108.68 2kb4 s SER 36 Ca 0.19 0.22 -0.27 0.00 1.31 0.00 0.00 55.95 57.40 2kb4 s SER 36 Cb -0.03 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2kb4 s SER 36 CO 0.09 -2.83 1.50 -0.89 0.41 0.00 0.00 173.24 171.51 2kb4 s THR 37 N 11.01 3.59 -0.95 1.44 2.01 -1.26 -3.69 115.64 127.79 2kb4 s THR 37 Ca 0.79 0.30 -0.03 0.00 0.31 0.00 0.00 61.69 63.05 2kb4 s THR 37 Cb -0.12 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.78 2kb4 s THR 37 CO 0.15 -1.52 0.82 0.61 -0.69 0.00 0.00 174.62 173.99 2kb4 n GLY 38 N 5.55 -0.67 0.33 4.40 0.00 -1.26 -4.60 105.19 108.94 2kb4 n GLY 38 Ca 0.10 0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.43 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 0.22 1.36 0.00 4.61 0.00 -1.89 0.48 119.26 124.03 2kb4 h ALA 39 Ca -0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2kb4 h ALA 39 Cb 1.28 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kb4 h ALA 39 CO 0.40 0.51 -0.34 1.05 0.00 0.00 0.00 179.25 180.87 2kb4 h GLU 40 N 0.90 0.00 0.14 0.00 4.11 -1.92 -3.22 114.58 114.58 2kb4 h GLU 40 Ca 0.22 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.34 2kb4 h GLU 40 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kb4 h GLU 40 CO -0.03 0.03 -1.52 -0.91 0.07 0.00 0.00 179.01 176.65 2kb4 h ASN 41 N 0.00 0.45 -5.82 3.06 2.35 -1.70 -3.49 115.58 110.43 2kb4 h ASN 41 Ca -0.00 -0.59 -0.17 0.00 -0.55 0.00 0.00 56.30 54.99 2kb4 h ASN 41 Cb 1.03 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.26 2kb4 h ASN 41 CO 0.00 1.49 -0.71 -0.11 -1.65 0.00 0.00 177.43 176.46 2kb4 n LEU 42 N -3.49 -5.58 0.00 1.61 -0.00 0.16 -5.02 117.00 104.68 2kb4 n LEU 42 Ca -0.16 0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 2kb4 n LEU 42 Cb 1.05 -2.68 0.00 0.00 -0.00 0.00 0.00 43.42 41.79 2kb4 n LEU 42 CO 0.52 -1.22 0.00 -0.81 -0.00 0.00 0.00 177.39 175.87 2kb4 n PRO 43 N -0.68 0.00 -3.34 1.96 -0.05 -1.26 -4.96 135.00 126.67 2kb4 n PRO 43 Ca -0.00 0.28 -0.11 0.00 -0.05 0.00 0.00 63.50 63.62 2kb4 n PRO 43 Cb 0.56 -0.75 -0.07 0.00 -0.05 0.00 0.00 33.50 33.19 2kb4 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2kb4 s ALA 44 N -3.30 -1.02 -0.48 0.55 0.00 -1.25 -4.69 121.76 111.56 2kb4 s ALA 44 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.29 2kb4 s ALA 44 Cb 0.00 -1.91 0.57 0.00 0.00 0.00 0.00 23.12 21.78 2kb4 s ALA 44 CO 0.00 -1.61 1.85 0.41 0.00 0.00 0.00 175.76 176.41 2kb4 n GLY 45 N 5.35 5.05 3.29 0.00 0.00 -1.07 -4.80 105.19 113.01 2kb4 n GLY 45 Ca -0.01 -1.54 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.76 1.30 0.03 1.61 0.01 -1.26 -3.99 113.70 109.64 2kb4 s SER 46 Ca 0.57 -1.26 -0.00 0.00 1.31 0.00 0.00 55.95 56.56 2kb4 s SER 46 Cb 0.47 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2kb4 s SER 46 CO 0.05 -0.62 0.05 0.00 0.41 0.00 0.00 173.24 173.13 2kb4 n ALA 47 N -0.36 -0.06 -2.47 1.44 0.00 -1.26 -4.76 120.51 113.04 2kb4 n ALA 47 Ca -0.04 -0.14 -0.25 0.00 0.00 0.00 0.00 53.44 53.01 2kb4 n ALA 47 Cb 0.65 0.12 -0.12 0.00 0.00 0.00 0.00 19.45 20.09 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 2.37 0.04 0.00 -0.00 -1.03 -1.13 118.68 118.92 2kb4 s LEU 48 Ca 0.02 -0.78 0.06 0.00 -0.00 0.00 0.00 54.13 53.43 2kb4 s LEU 48 Cb -0.00 -0.98 -0.02 0.00 -0.00 0.00 0.00 46.19 45.19 2kb4 s LEU 48 CO 0.02 0.07 -0.17 -1.48 -0.00 0.00 0.00 176.35 174.79 2kb4 s LEU 49 N -2.29 2.16 0.01 1.48 0.05 -0.12 -0.61 118.68 119.36 2kb4 s LEU 49 Ca 0.13 -0.47 0.04 0.00 0.05 0.00 0.00 54.13 53.88 2kb4 s LEU 49 Cb -0.08 -0.76 -0.01 0.00 -2.05 0.00 0.00 46.19 43.28 2kb4 s LEU 49 CO 0.06 0.09 -0.12 0.68 -0.55 0.00 0.00 176.35 176.52 2kb4 s VAL 50 N -0.80 0.93 -0.33 1.48 -7.23 -0.28 -0.81 120.40 113.37 2kb4 s VAL 50 Ca 0.04 -0.67 -0.18 0.00 -1.81 0.00 0.00 61.98 59.37 2kb4 s VAL 50 Cb -0.08 -0.81 -0.01 0.00 0.56 0.00 0.00 36.38 36.04 2kb4 s VAL 50 CO 0.01 0.14 0.50 -0.69 -0.31 0.00 0.00 175.10 174.75 2kb4 s VAL 51 N -0.50 5.04 0.01 1.32 1.01 -0.82 -0.42 120.40 126.04 2kb4 s VAL 51 Ca 0.03 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 2kb4 s VAL 51 Cb -0.06 -3.92 -0.32 0.00 0.00 0.00 0.00 36.38 32.08 2kb4 s VAL 51 CO 0.00 -0.15 0.90 0.50 0.00 0.00 0.00 175.10 176.36 2kb4 h LYS 52 N 8.38 0.43 -3.06 2.72 3.11 -1.85 -3.39 116.57 122.92 2kb4 h LYS 52 Ca -0.28 -0.74 -0.34 0.00 -2.81 0.00 0.00 60.65 56.48 2kb4 h LYS 52 Cb 1.13 0.28 -0.37 0.00 -1.00 0.00 0.00 32.23 32.26 2kb4 h LYS 52 CO 0.75 1.34 -0.67 0.50 -2.81 0.00 0.00 179.45 178.56 2kb4 s ARG 53 N -2.60 0.03 0.00 1.90 6.06 -1.20 -5.05 118.95 118.09 2kb4 s ARG 53 Ca -0.10 0.39 0.00 0.00 -2.50 0.00 0.00 55.73 53.51 2kb4 s ARG 53 Cb 0.05 -0.67 0.00 0.00 0.06 0.00 0.00 34.95 34.39 2kb4 s ARG 53 CO 0.90 -0.41 0.00 0.41 -2.50 0.00 0.00 175.30 173.70 2kb4 n GLY 54 N 5.31 3.48 0.00 8.12 0.00 -1.26 -2.28 105.19 118.57 2kb4 n GLY 54 Ca -0.05 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.04 0.01 1.61 -0.02 -1.26 -2.50 135.00 132.88 2kb4 n PRO 55 Ca 0.00 0.28 0.23 0.00 -2.02 0.00 0.00 63.50 61.99 2kb4 n PRO 55 Cb 0.00 -1.50 0.71 0.00 -0.02 0.00 0.00 33.50 32.69 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 0.00 0.00 2.55 4.21 -1.79 -3.37 115.58 117.18 2kb4 h ASN 56 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kb4 h ASN 56 Cb 0.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 2kb4 h ASN 56 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 2kb4 n ALA 57 N -2.40 0.00 -3.44 -0.83 0.00 -1.16 -4.11 120.51 108.57 2kb4 n ALA 57 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.36 2kb4 n ALA 57 Cb 0.79 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.37 -0.38 0.60 0.00 0.00 -1.04 -4.98 105.19 98.02 2kb4 n GLY 58 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.41 -0.12 -2.45 4.61 0.00 -1.26 -4.93 120.51 111.95 2kb4 n ALA 59 Ca -0.13 -0.27 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 2kb4 n ALA 59 Cb 0.61 0.21 -0.16 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.11 2.26 -0.03 0.00 1.70 -1.26 -1.94 118.95 117.57 2kb4 s ARG 60 Ca 0.04 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.39 2kb4 s ARG 60 Cb -0.00 -2.08 0.03 0.00 -0.57 0.00 0.00 34.95 32.32 2kb4 s ARG 60 CO 0.03 0.50 0.01 0.12 -1.08 0.00 0.00 175.30 174.89 2kb4 s PHE 61 N -0.47 0.22 -0.12 5.89 5.36 0.01 -5.00 117.98 123.86 2kb4 s PHE 61 Ca 0.06 0.05 -0.19 0.00 -0.96 0.00 0.00 56.93 55.89 2kb4 s PHE 61 Cb -0.11 -0.36 -0.04 0.00 -0.34 0.00 0.00 43.02 42.17 2kb4 s PHE 61 CO 0.01 -0.12 0.50 -1.17 -1.46 0.00 0.00 175.22 172.97 2kb4 s LEU 62 N 1.09 4.27 -0.12 6.12 2.96 -1.26 -0.94 118.68 130.79 2kb4 s LEU 62 Ca -0.09 0.83 -0.29 0.00 -0.22 0.00 0.00 54.13 54.36 2kb4 s LEU 62 Cb -0.13 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 2kb4 s LEU 62 CO -0.02 -0.02 1.41 -0.76 -1.32 0.00 0.00 176.35 175.63 2kb4 s LEU 63 N 0.71 4.24 0.00 -0.68 1.43 -0.28 -4.68 118.68 119.41 2kb4 s LEU 63 Ca 0.27 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 2kb4 s LEU 63 Cb -0.15 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2kb4 s LEU 63 CO 0.11 -0.82 0.00 -0.90 0.23 0.00 0.00 176.35 174.97 2kb4 n ASP 64 N 6.76 0.00 -4.62 2.29 5.68 -1.26 -4.58 116.55 120.82 2kb4 n ASP 64 Ca 0.15 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 54.01 2kb4 n ASP 64 Cb 0.44 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.39 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2kb4 s GLN 65 N -1.00 3.54 0.27 0.11 -0.21 -1.26 -4.90 119.66 116.21 2kb4 s GLN 65 Ca 0.00 2.17 -0.00 0.00 0.02 0.00 0.00 55.36 57.55 2kb4 s GLN 65 Cb 0.00 -4.27 0.52 0.00 1.00 0.00 0.00 33.01 30.27 2kb4 s GLN 65 CO 0.00 -1.64 1.80 -1.00 -2.12 0.00 0.00 175.29 172.34 2kb4 h PRO 66 N 13.10 0.80 -4.79 2.91 0.13 -1.93 -3.34 132.00 138.88 2kb4 h PRO 66 Ca -0.43 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 63.99 2kb4 h PRO 66 Cb 1.23 -0.18 -0.38 0.00 0.13 0.00 0.00 31.00 31.80 2kb4 h PRO 66 CO 0.96 0.53 -0.76 0.99 -0.23 0.00 0.00 178.00 179.48 2kb4 s THR 67 N -5.97 2.24 -0.31 1.56 2.01 -1.26 -0.81 115.64 113.10 2kb4 s THR 67 Ca -0.12 -1.92 -0.08 0.00 0.31 0.00 0.00 61.69 59.88 2kb4 s THR 67 Cb 0.22 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 70.27 2kb4 s THR 67 CO 0.79 -0.27 0.12 -0.89 -0.69 0.00 0.00 174.62 173.68 2kb4 s THR 68 N 1.02 4.17 -0.15 -0.82 2.01 0.09 -4.95 115.64 117.02 2kb4 s THR 68 Ca -0.01 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 2kb4 s THR 68 Cb -0.20 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2kb4 s THR 68 CO -0.06 0.00 0.22 0.42 -0.69 0.00 0.00 174.62 174.51 2kb4 s THR 69 N 1.52 5.36 -0.20 -0.82 -4.23 -1.26 -0.37 115.64 115.64 2kb4 s THR 69 Ca 0.02 0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 60.90 2kb4 s THR 69 Cb -0.18 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.14 2kb4 s THR 69 CO 0.04 0.48 -0.11 0.00 -0.54 0.00 0.00 174.62 174.50 2kb4 s ALA 70 N -0.11 2.61 0.00 3.99 0.00 0.19 -1.41 121.76 127.04 2kb4 s ALA 70 Ca 0.14 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2kb4 s ALA 70 Cb -0.12 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2kb4 s ALA 70 CO 0.03 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2kb4 n GLY 71 N 4.69 -0.55 2.64 0.00 0.00 -1.23 -1.76 105.19 108.99 2kb4 n GLY 71 Ca -0.19 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 2kb4 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb4 s ARG 72 N -1.24 1.10 0.20 1.61 6.06 -1.21 -3.53 118.95 121.94 2kb4 s ARG 72 Ca 0.00 -1.85 -0.23 0.00 -2.50 0.00 0.00 55.73 51.15 2kb4 s ARG 72 Cb 0.00 -2.06 0.05 0.00 0.06 0.00 0.00 34.95 33.00 2kb4 s ARG 72 CO 0.00 -1.18 0.73 -3.38 -2.50 0.00 0.00 175.30 168.97 2kb4 s HIS 73 N 0.51 -0.31 0.42 5.12 -3.43 -1.26 -4.48 115.29 111.86 2kb4 s HIS 73 Ca 0.18 -0.01 0.23 0.00 -0.80 0.00 0.00 55.06 54.65 2kb4 s HIS 73 Cb -0.23 0.63 1.21 0.00 -1.43 0.00 0.00 32.58 32.77 2kb4 s HIS 73 CO -0.00 -0.99 1.75 -1.00 -2.00 0.00 0.00 174.74 172.50 2kb4 h PRO 74 N 2.00 0.29 -0.66 -0.38 0.13 -2.04 -1.25 132.00 130.08 2kb4 h PRO 74 Ca -0.25 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2kb4 h PRO 74 Cb 1.27 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kb4 h PRO 74 CO 0.29 0.19 0.00 -0.85 -0.23 0.00 0.00 178.00 177.40 2kb4 n GLU 75 N -4.57 3.66 -2.39 0.86 0.28 -1.26 -4.92 120.64 112.30 2kb4 n GLU 75 Ca 0.27 -2.82 -0.41 0.00 -0.16 0.00 0.00 57.16 54.04 2kb4 n GLU 75 Cb 1.01 -1.88 -0.03 0.00 1.43 0.00 0.00 31.44 31.96 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kb4 s SER 76 N -0.89 7.08 -0.12 -1.84 0.01 -0.47 -4.68 113.70 112.80 2kb4 s SER 76 Ca 0.51 2.16 -0.12 0.00 1.31 0.00 0.00 55.95 59.81 2kb4 s SER 76 Cb 0.32 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.85 2kb4 s SER 76 CO 0.25 -0.41 0.30 -0.78 0.41 0.00 0.00 173.24 173.01 2kb4 h ASP 77 N 5.81 0.00 -3.05 2.44 1.82 -1.58 -3.45 116.42 118.41 2kb4 h ASP 77 Ca -0.43 -0.39 -0.62 0.00 -0.39 0.00 0.00 57.03 55.19 2kb4 h ASP 77 Cb 1.21 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.13 2kb4 h ASP 77 CO 0.77 0.71 -0.39 0.27 -1.61 0.00 0.00 179.24 178.99 2kb4 s ILE 78 N -1.83 5.35 -0.30 2.25 -4.36 -0.94 -5.02 121.20 116.35 2kb4 s ILE 78 Ca -0.08 0.42 -0.09 0.00 -0.26 0.00 0.00 60.65 60.64 2kb4 s ILE 78 Cb -0.01 -3.54 -0.01 0.00 1.25 0.00 0.00 42.46 40.14 2kb4 s ILE 78 CO 0.28 0.50 0.14 -0.36 0.24 0.00 0.00 174.94 175.73 2kb4 s PHE 79 N -0.23 3.16 -0.56 1.37 0.08 -1.26 -3.49 117.98 117.06 2kb4 s PHE 79 Ca 0.15 -0.49 -0.27 0.00 0.12 0.00 0.00 56.93 56.44 2kb4 s PHE 79 Cb -0.13 -2.33 0.03 0.00 -0.57 0.00 0.00 43.02 40.02 2kb4 s PHE 79 CO 0.04 -0.41 1.11 -0.51 -0.10 0.00 0.00 175.22 175.34 2kb4 s LEU 80 N 1.62 3.67 -1.37 -0.37 1.02 -1.23 -4.50 118.68 117.52 2kb4 s LEU 80 Ca 0.05 0.01 -0.11 0.00 0.02 0.00 0.00 54.13 54.10 2kb4 s LEU 80 Cb -0.17 -3.10 0.10 0.00 0.02 0.00 0.00 46.19 43.04 2kb4 s LEU 80 CO 0.06 -1.37 2.08 -0.67 0.02 0.00 0.00 176.35 176.46 2kb4 n ASP 81 N 8.06 4.71 -3.91 2.29 2.03 -1.26 -4.83 116.55 123.65 2kb4 n ASP 81 Ca 0.07 -2.98 -0.09 0.00 0.52 0.00 0.00 54.79 52.30 2kb4 n ASP 81 Cb 0.49 -1.56 -0.07 0.00 -0.72 0.00 0.00 41.12 39.26 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kb4 s ASP 82 N 1.91 0.01 0.00 1.67 2.15 -1.26 -4.49 116.67 116.66 2kb4 s ASP 82 Ca 0.44 -0.78 0.24 0.00 0.43 0.00 0.00 52.55 52.89 2kb4 s ASP 82 Cb 0.12 0.44 0.32 0.00 -0.30 0.00 0.00 42.92 43.50 2kb4 s ASP 82 CO -0.04 -0.89 1.29 0.55 -0.17 0.00 0.00 175.17 175.91 2kb4 n VAL 83 N -0.21 0.00 0.33 1.11 3.14 -1.26 -4.05 118.33 117.39 2kb4 n VAL 83 Ca -0.09 -0.12 0.06 0.00 -2.96 0.00 0.00 64.34 61.23 2kb4 n VAL 83 Cb 0.63 0.72 0.21 0.00 -1.06 0.00 0.00 33.84 34.35 2kb4 n VAL 83 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2kb4 n THR 84 N -0.76 0.97 -3.98 1.55 -1.04 -1.26 -4.85 114.28 104.91 2kb4 n THR 84 Ca 0.09 -0.68 -0.35 0.00 -2.04 0.00 0.00 64.05 61.06 2kb4 n THR 84 Cb 0.38 0.07 -0.09 0.00 -1.82 0.00 0.00 70.33 68.87 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 -1.63 4.97 0.42 12.58 0.11 -1.26 -4.61 120.40 130.99 2kb4 s VAL 85 Ca 0.31 0.02 0.08 0.00 -2.93 0.00 0.00 61.98 59.46 2kb4 s VAL 85 Cb 0.19 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 2kb4 s VAL 85 CO 0.17 0.51 0.51 -0.44 -3.33 0.00 0.00 175.10 172.51 2kb4 s SER 86 N -0.06 5.48 0.15 3.54 0.01 -1.26 -4.85 113.70 116.71 2kb4 s SER 86 Ca 0.07 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 2kb4 s SER 86 Cb -0.12 -0.64 -0.07 0.00 0.21 0.00 0.00 66.02 65.40 2kb4 s SER 86 CO 0.01 -0.73 1.12 -0.13 0.41 0.00 0.00 173.24 173.92 2kb4 s ARG 87 N -4.28 4.56 -0.72 12.44 0.52 -1.26 -3.33 118.95 126.87 2kb4 s ARG 87 Ca 0.53 1.73 -0.05 0.00 -0.52 0.00 0.00 55.73 57.42 2kb4 s ARG 87 Cb -0.08 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 32.11 2kb4 s ARG 87 CO 0.31 0.01 0.65 2.89 0.02 0.00 0.00 175.30 179.18 2kb4 n ARG 88 N 2.66 -1.56 -0.08 3.54 -4.01 -1.26 -4.86 116.66 111.09 2kb4 n ARG 88 Ca 0.04 1.25 -0.07 0.00 -1.04 0.00 0.00 57.85 58.03 2kb4 n ARG 88 Cb 0.46 -4.03 -0.02 0.00 -3.04 0.00 0.00 32.46 25.83 2kb4 n ARG 88 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 2kb4 n HIS 89 N -1.85 0.43 -4.29 2.89 -0.00 -1.02 -3.31 115.22 108.08 2kb4 n HIS 89 Ca -0.13 0.19 -0.24 0.00 0.46 0.00 0.00 57.72 58.01 2kb4 n HIS 89 Cb 0.59 -0.62 -0.17 0.00 -0.12 0.00 0.00 29.99 29.67 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 -2.83 1.07 -0.17 1.57 0.00 -0.72 -0.24 121.76 120.43 2kb4 s ALA 90 Ca -0.22 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 2kb4 s ALA 90 Cb 0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2kb4 s ALA 90 CO 0.33 -0.05 -0.04 -1.21 0.00 0.00 0.00 175.76 174.79 2kb4 s GLU 91 N 1.00 3.59 -0.35 0.00 2.02 0.36 -0.63 118.70 124.69 2kb4 s GLU 91 Ca -0.09 -0.55 -0.11 0.00 0.02 0.00 0.00 54.97 54.25 2kb4 s GLU 91 Cb -0.15 -2.95 0.01 0.00 0.10 0.00 0.00 34.13 31.15 2kb4 s GLU 91 CO -0.00 0.12 0.19 -0.06 0.02 0.00 0.00 175.26 175.53 2kb4 s PHE 92 N 0.68 3.22 -0.31 1.61 0.40 0.50 -0.35 117.98 123.74 2kb4 s PHE 92 Ca -0.02 -0.76 -0.07 0.00 -0.60 0.00 0.00 56.93 55.48 2kb4 s PHE 92 Cb -0.14 -2.41 0.02 0.00 0.51 0.00 0.00 43.02 40.99 2kb4 s PHE 92 CO 0.02 -0.56 0.09 1.03 0.70 0.00 0.00 175.22 176.51 2kb4 s ARG 93 N 1.59 2.98 -0.10 0.44 0.52 0.75 -0.73 118.95 124.40 2kb4 s ARG 93 Ca 0.03 -0.94 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 2kb4 s ARG 93 Cb -0.18 -3.40 0.02 0.00 0.52 0.00 0.00 34.95 31.90 2kb4 s ARG 93 CO 0.07 -0.50 -0.10 -1.50 0.02 0.00 0.00 175.30 173.28 2kb4 s ILE 94 N 1.48 1.15 0.06 1.52 -1.16 0.01 -0.04 121.20 124.21 2kb4 s ILE 94 Ca 0.02 -0.42 0.05 0.00 -0.51 0.00 0.00 60.65 59.79 2kb4 s ILE 94 Cb -0.18 -1.10 -0.04 0.00 0.61 0.00 0.00 42.46 41.75 2kb4 s ILE 94 CO 0.03 0.38 -0.05 0.21 -2.81 0.00 0.00 174.94 172.69 2kb4 s ASN 95 N 1.24 4.73 0.59 4.50 2.47 0.13 -3.99 114.94 124.60 2kb4 s ASN 95 Ca -0.03 -0.21 0.33 0.00 0.42 0.00 0.00 52.86 53.36 2kb4 s ASN 95 Cb -0.14 -1.07 1.21 0.00 -1.45 0.00 0.00 41.25 39.80 2kb4 s ASN 95 CO -0.03 0.22 1.48 1.05 -3.72 0.00 0.00 177.10 176.09 2kb4 h GLU 96 N 3.90 0.00 0.00 0.43 4.11 -1.93 0.06 114.58 121.16 2kb4 h GLU 96 Ca -0.48 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.92 2kb4 h GLU 96 Cb 1.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 2kb4 h GLU 96 CO 0.56 0.00 -0.42 0.41 0.07 0.00 0.00 179.01 179.63 2kb4 n GLY 97 N -1.73 3.11 3.60 1.06 0.00 -1.26 -2.59 105.19 107.38 2kb4 n GLY 97 Ca 0.26 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.70 0.68 -0.14 1.61 2.56 0.01 -4.68 118.70 117.04 2kb4 s GLU 98 Ca 0.25 0.50 -0.01 0.00 0.00 0.00 0.00 54.97 55.71 2kb4 s GLU 98 Cb 0.24 0.33 0.04 0.00 2.00 0.00 0.00 34.13 36.74 2kb4 s GLU 98 CO -0.03 -0.14 -0.02 -0.59 -0.56 0.00 0.00 175.26 173.91 2kb4 s PHE 99 N -0.33 1.24 -0.03 5.30 -0.12 -1.26 0.17 117.98 122.95 2kb4 s PHE 99 Ca -0.01 -0.75 0.03 0.00 -0.05 0.00 0.00 56.93 56.16 2kb4 s PHE 99 Cb -0.03 -1.10 0.00 0.00 -0.63 0.00 0.00 43.02 41.26 2kb4 s PHE 99 CO -0.00 -0.53 -0.12 -2.00 -0.05 0.00 0.00 175.22 172.52 2kb4 s GLU 100 N 1.79 1.28 -0.13 1.99 2.12 0.94 -0.48 118.70 126.20 2kb4 s GLU 100 Ca 0.02 -0.41 0.01 0.00 0.36 0.00 0.00 54.97 54.95 2kb4 s GLU 100 Cb -0.15 -1.15 -0.01 0.00 0.26 0.00 0.00 34.13 33.09 2kb4 s GLU 100 CO -0.07 0.15 -0.17 0.54 -0.54 0.00 0.00 175.26 175.17 2kb4 s VAL 101 N 0.18 2.64 -0.10 3.70 0.11 0.76 -0.18 120.40 127.52 2kb4 s VAL 101 Ca -0.04 -0.80 0.03 0.00 -2.93 0.00 0.00 61.98 58.25 2kb4 s VAL 101 Cb -0.10 -2.09 -0.00 0.00 -1.53 0.00 0.00 36.38 32.66 2kb4 s VAL 101 CO 0.01 0.53 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.40 2kb4 s VAL 102 N 0.51 2.26 -0.33 2.04 1.01 0.53 -0.54 120.40 125.88 2kb4 s VAL 102 Ca -0.11 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 2kb4 s VAL 102 Cb -0.16 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2kb4 s VAL 102 CO 0.04 0.55 0.22 -0.62 0.00 0.00 0.00 175.10 175.30 2kb4 s ASP 103 N 0.28 5.91 0.00 3.32 2.15 -0.25 -0.49 116.67 127.59 2kb4 s ASP 103 Ca -0.16 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.35 2kb4 s ASP 103 Cb -0.17 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 2kb4 s ASP 103 CO 0.08 -0.23 0.37 1.33 -0.17 0.00 0.00 175.17 176.54 2kb4 n VAL 104 N 5.07 0.00 -1.34 1.11 0.24 0.19 -4.63 118.33 118.98 2kb4 n VAL 104 Ca -0.13 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.34 61.38 2kb4 n VAL 104 Cb 0.49 1.10 0.08 0.00 -1.47 0.00 0.00 33.84 34.05 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 0.14 5.86 0.00 7.63 0.00 0.66 -4.69 105.19 114.80 2kb4 n GLY 105 Ca 0.00 -2.29 0.02 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.92 0.00 -0.13 1.61 7.64 -1.26 0.20 113.62 120.76 2kb4 n SER 106 Ca 0.63 -0.25 -0.12 0.00 1.01 0.00 0.00 58.87 60.13 2kb4 n SER 106 Cb 0.68 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.86 2kb4 n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kb4 h LEU 107 N 0.00 0.91 0.00 -3.43 -0.00 -1.99 -3.36 115.31 107.44 2kb4 h LEU 107 Ca 0.00 -0.43 -0.20 0.00 -0.00 0.00 0.00 57.88 57.25 2kb4 h LEU 107 Cb 0.00 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.37 2kb4 h LEU 107 CO 0.00 1.15 -1.73 0.59 -0.00 0.00 0.00 178.44 178.45 2kb4 n ASN 108 N -4.17 2.76 0.00 -0.43 3.02 -0.32 -5.13 115.26 111.00 2kb4 n ASN 108 Ca -0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2kb4 n ASN 108 Cb 0.47 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 2kb4 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kb4 n GLY 109 N 2.80 -0.07 3.79 7.41 0.00 0.13 -4.90 105.19 114.35 2kb4 n GLY 109 Ca -0.23 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.52 5.19 -0.08 2.61 2.01 -1.26 -3.29 115.64 120.30 2kb4 s THR 110 Ca 0.00 0.70 0.04 0.00 0.31 0.00 0.00 61.69 62.74 2kb4 s THR 110 Cb 0.00 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 2kb4 s THR 110 CO 0.00 0.49 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.91 2kb4 s TYR 111 N -0.36 2.58 -0.40 4.92 2.02 0.42 -4.26 117.35 122.26 2kb4 s TYR 111 Ca 0.21 -0.64 -0.14 0.00 -0.37 0.00 0.00 57.07 56.12 2kb4 s TYR 111 Cb -0.15 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.76 2kb4 s TYR 111 CO 0.09 -0.17 0.28 0.14 -1.57 0.00 0.00 175.55 174.33 2kb4 s VAL 112 N -0.10 5.20 0.00 0.71 -7.23 0.30 0.00 120.40 119.28 2kb4 s VAL 112 Ca -0.04 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 2kb4 s VAL 112 Cb -0.14 -3.87 0.00 0.00 0.56 0.00 0.00 36.38 32.93 2kb4 s VAL 112 CO 0.04 -0.27 0.00 -3.20 -0.31 0.00 0.00 175.10 171.36 2kb4 n ASN 113 N 5.14 0.00 -0.19 4.85 2.85 0.20 -0.13 115.26 127.98 2kb4 n ASN 113 Ca -0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 2kb4 n ASN 113 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kb4 n ARG 114 N 0.00 0.00 -3.58 1.20 1.74 -1.26 -4.80 116.66 109.95 2kb4 n ARG 114 Ca 0.00 -0.41 -0.40 0.00 -0.77 0.00 0.00 57.85 56.27 2kb4 n ARG 114 Cb 0.00 -0.30 -0.11 0.00 -1.02 0.00 0.00 32.46 31.03 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 3.23 -0.84 5.56 0.41 0.82 -5.03 118.70 122.85 2kb4 s GLU 115 Ca 0.00 -0.81 -0.23 0.00 -0.41 0.00 0.00 54.97 53.52 2kb4 s GLU 115 Cb 0.00 -3.72 0.07 0.00 -1.78 0.00 0.00 34.13 28.70 2kb4 s GLU 115 CO 0.00 -0.52 1.21 -1.25 -0.49 0.00 0.00 175.26 174.21 2kb4 s PRO 116 N 1.64 3.38 0.07 0.39 0.05 -1.26 -0.54 135.00 138.73 2kb4 s PRO 116 Ca 0.05 -1.00 0.09 0.00 0.05 0.00 0.00 61.00 60.19 2kb4 s PRO 116 Cb -0.18 -4.70 -0.03 0.00 0.05 0.00 0.00 34.50 29.64 2kb4 s PRO 116 CO 0.08 -2.00 -0.25 1.03 0.05 0.00 0.00 177.00 175.91 2kb4 s ARG 117 N 4.39 1.57 0.15 4.56 0.52 -1.26 -5.03 118.95 123.84 2kb4 s ARG 117 Ca 0.34 -1.14 -0.13 0.00 -0.52 0.00 0.00 55.73 54.29 2kb4 s ARG 117 Cb -0.07 -1.82 0.02 0.00 0.52 0.00 0.00 34.95 33.59 2kb4 s ARG 117 CO 0.01 0.46 1.60 -0.91 0.02 0.00 0.00 175.30 176.48 2kb4 h ASN 118 N 4.54 0.83 -3.79 0.23 4.21 -1.94 -3.35 115.58 116.30 2kb4 h ASN 118 Ca -0.47 -0.30 -0.14 0.00 1.21 0.00 0.00 56.30 56.60 2kb4 h ASN 118 Cb 1.15 -0.22 -0.25 0.00 -1.12 0.00 0.00 38.32 37.88 2kb4 h ASN 118 CO 0.42 0.93 -0.32 0.00 -1.29 0.00 0.00 177.43 177.17 2kb4 s ALA 119 N -5.04 -0.86 0.02 -0.83 0.00 -1.26 -1.09 121.76 112.70 2kb4 s ALA 119 Ca -0.12 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 2kb4 s ALA 119 Cb 0.11 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 2kb4 s ALA 119 CO 0.82 -0.17 0.00 -1.14 0.00 0.00 0.00 175.76 175.27 2kb4 s GLN 120 N 0.31 0.36 0.10 0.00 2.00 0.30 -5.01 119.66 117.73 2kb4 s GLN 120 Ca -0.01 -0.60 -0.30 0.00 -2.00 0.00 0.00 55.36 52.45 2kb4 s GLN 120 Cb -0.03 0.13 -0.05 0.00 0.80 0.00 0.00 33.01 33.86 2kb4 s GLN 120 CO -0.01 -0.07 0.97 0.08 -0.50 0.00 0.00 175.29 175.76 2kb4 s VAL 121 N -1.57 4.53 0.14 1.34 1.01 -1.26 -0.17 120.40 124.41 2kb4 s VAL 121 Ca -0.15 2.05 -0.31 0.00 0.00 0.00 0.00 61.98 63.58 2kb4 s VAL 121 Cb -0.09 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 2kb4 s VAL 121 CO -0.01 0.29 1.78 -0.04 0.00 0.00 0.00 175.10 177.13 2kb4 s MET 122 N 0.13 4.14 -0.17 2.72 1.00 0.37 -4.82 119.30 122.67 2kb4 s MET 122 Ca 0.48 2.56 -0.06 0.00 0.00 0.00 0.00 55.69 58.67 2kb4 s MET 122 Cb -0.23 -3.48 -0.04 0.00 0.00 0.00 0.00 34.83 31.08 2kb4 s MET 122 CO 0.30 -0.80 0.04 -1.14 0.00 0.00 0.00 175.02 173.41 2kb4 s GLN 123 N 2.36 3.88 0.06 2.03 0.74 -1.26 -4.70 119.66 122.77 2kb4 s GLN 123 Ca 0.79 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 55.51 2kb4 s GLN 123 Cb -0.46 -3.13 -0.05 0.00 1.10 0.00 0.00 33.01 30.47 2kb4 s GLN 123 CO 0.35 0.29 1.03 0.95 -0.55 0.00 0.00 175.29 177.36 2kb4 s THR 124 N 0.31 4.49 0.00 -0.34 -4.23 -1.25 -3.13 115.64 111.49 2kb4 s THR 124 Ca 0.02 1.89 0.00 0.00 -1.18 0.00 0.00 61.69 62.42 2kb4 s THR 124 Cb -0.13 -4.21 0.00 0.00 1.34 0.00 0.00 72.50 69.50 2kb4 s THR 124 CO 0.01 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 2kb4 n GLY 125 N 2.69 0.60 3.56 3.99 0.00 0.15 -2.59 105.19 113.60 2kb4 n GLY 125 Ca 0.05 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.75 3.27 -0.17 1.61 -1.08 -1.18 -4.18 116.67 112.18 2kb4 s ASP 126 Ca 0.00 -1.41 0.01 0.00 -0.52 0.00 0.00 52.55 50.62 2kb4 s ASP 126 Cb 0.00 -0.15 0.01 0.00 -1.46 0.00 0.00 42.92 41.32 2kb4 s ASP 126 CO 0.00 -0.57 -0.18 -0.70 0.52 0.00 0.00 175.17 174.24 2kb4 s GLU 127 N -3.79 3.06 -0.27 4.34 2.12 -1.26 -1.75 118.70 121.14 2kb4 s GLU 127 Ca 0.32 -0.81 -0.08 0.00 0.36 0.00 0.00 54.97 54.77 2kb4 s GLU 127 Cb 0.08 -2.60 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 2kb4 s GLU 127 CO 0.16 -0.15 0.09 0.42 -0.54 0.00 0.00 175.26 175.23 2kb4 s ILE 128 N 1.18 4.31 -0.36 -3.70 1.01 0.13 0.60 121.20 124.37 2kb4 s ILE 128 Ca 0.02 -0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 2kb4 s ILE 128 Cb -0.14 -3.09 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 2kb4 s ILE 128 CO -0.09 0.24 0.46 -1.58 0.00 0.00 0.00 174.94 173.97 2kb4 s GLN 129 N 1.60 3.52 -0.61 2.79 0.74 0.10 -0.27 119.66 127.52 2kb4 s GLN 129 Ca 0.05 -0.33 -0.16 0.00 0.05 0.00 0.00 55.36 54.97 2kb4 s GLN 129 Cb -0.16 -3.83 0.15 0.00 1.10 0.00 0.00 33.01 30.27 2kb4 s GLN 129 CO 0.04 -0.65 0.57 0.96 -0.55 0.00 0.00 175.29 175.66 2kb4 s ILE 130 N 2.25 5.30 0.00 -2.34 -4.36 0.12 -0.44 121.20 121.74 2kb4 s ILE 130 Ca 0.16 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 2kb4 s ILE 130 Cb -0.16 -4.37 0.00 0.00 1.25 0.00 0.00 42.46 39.18 2kb4 s ILE 130 CO 0.13 -0.91 0.00 0.61 0.24 0.00 0.00 174.94 175.01 2kb4 n GLY 131 N 4.94 1.59 0.00 6.27 0.00 -1.21 -2.27 105.19 114.52 2kb4 n GLY 131 Ca -0.07 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 2.78 -3.41 1.61 4.81 -1.26 -4.96 118.16 117.72 2kb4 n LYS 132 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 2kb4 n LYS 132 Cb 0.00 -1.00 -0.01 0.00 0.02 0.00 0.00 35.03 34.04 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kb4 s PHE 133 N -1.99 3.41 0.00 5.64 0.08 -0.96 -5.04 117.98 119.11 2kb4 s PHE 133 Ca 0.00 0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.31 2kb4 s PHE 133 Cb 0.00 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.51 2kb4 s PHE 133 CO 0.00 0.08 -0.11 -0.98 -0.10 0.00 0.00 175.22 174.10 2kb4 s ARG 134 N -4.30 0.89 -0.03 0.44 1.70 -0.96 0.16 118.95 116.85 2kb4 s ARG 134 Ca 0.41 -0.48 0.06 0.00 -0.47 0.00 0.00 55.73 55.25 2kb4 s ARG 134 Cb -0.10 -0.86 -0.02 0.00 -0.57 0.00 0.00 34.95 33.41 2kb4 s ARG 134 CO 0.35 0.23 -0.21 -1.17 -1.08 0.00 0.00 175.30 173.41 2kb4 s LEU 135 N -0.48 2.32 -0.11 -1.89 0.20 0.63 -2.67 118.68 116.68 2kb4 s LEU 135 Ca 0.03 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.51 2kb4 s LEU 135 Cb -0.05 -1.42 -0.01 0.00 -0.43 0.00 0.00 46.19 44.27 2kb4 s LEU 135 CO -0.00 0.33 -0.17 0.54 -0.29 0.00 0.00 176.35 176.76 2kb4 s VAL 136 N -0.66 2.74 -0.28 1.68 0.11 0.44 0.20 120.40 124.63 2kb4 s VAL 136 Ca 0.11 -0.78 -0.10 0.00 -2.93 0.00 0.00 61.98 58.28 2kb4 s VAL 136 Cb -0.10 -2.11 -0.03 0.00 -1.53 0.00 0.00 36.38 32.60 2kb4 s VAL 136 CO -0.00 0.54 0.14 0.12 -3.33 0.00 0.00 175.10 172.57 2kb4 s PHE 137 N 0.18 3.16 0.07 1.54 5.36 -0.72 -1.12 117.98 126.46 2kb4 s PHE 137 Ca -0.10 -0.21 0.07 0.00 -0.96 0.00 0.00 56.93 55.73 2kb4 s PHE 137 Cb -0.16 -2.33 -0.04 0.00 -0.34 0.00 0.00 43.02 40.16 2kb4 s PHE 137 CO 0.06 -0.29 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.87 2kb4 s LEU 138 N 1.68 2.81 -0.28 6.12 2.01 0.22 0.32 118.68 131.56 2kb4 s LEU 138 Ca 0.06 -0.40 -0.27 0.00 0.01 0.00 0.00 54.13 53.53 2kb4 s LEU 138 Cb -0.16 -1.64 0.01 0.00 0.01 0.00 0.00 46.19 44.41 2kb4 s LEU 138 CO 0.08 0.23 0.98 0.00 1.01 0.00 0.00 176.35 178.64 2kb4 s ALA 139 N -1.05 3.59 0.00 4.21 0.00 -1.25 -2.48 121.76 124.78 2kb4 s ALA 139 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.07 2kb4 s ALA 139 Cb -0.11 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2kb4 s ALA 139 CO 0.09 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 175.04 2kb4 n GLY 140 N 3.74 1.19 3.71 0.00 0.00 -1.26 -0.27 105.19 112.30 2kb4 n GLY 140 Ca 0.10 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 3.12 4.52 -0.57 1.61 0.02 -0.94 -4.01 135.00 138.74 2kb4 s PRO 141 Ca 0.00 1.49 -0.20 0.00 0.02 0.00 0.00 61.00 62.31 2kb4 s PRO 141 Cb 0.00 -3.45 0.08 0.00 0.02 0.00 0.00 34.50 31.15 2kb4 s PRO 141 CO 0.00 -0.12 0.74 0.00 -0.33 0.00 0.00 177.00 177.28 2kb4 s ALA 142 N 1.15 3.34 0.00 -1.55 0.00 -1.26 -4.89 121.76 118.55 2kb4 s ALA 142 Ca 0.53 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2kb4 s ALA 142 Cb -0.22 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2kb4 s ALA 142 CO 0.27 -2.31 0.19 -1.91 0.00 0.00 0.00 175.76 172.00