#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 0.56 -6.03 3.17 0.87 -2.11 -3.48 113.55 106.53 2kb4 h SER 2 Ca 0.00 -0.71 -0.42 0.00 -1.23 0.00 0.00 61.79 59.43 2kb4 h SER 2 Cb 0.00 -0.18 0.07 0.00 -0.44 0.00 0.00 62.40 61.85 2kb4 h SER 2 CO 0.00 1.58 -0.73 0.47 -0.53 0.00 0.00 176.83 177.61 2kb4 n ASP 3 N -3.56 -4.84 -0.52 6.23 8.00 -1.26 -4.88 116.55 115.73 2kb4 n ASP 3 Ca -0.17 -0.67 0.10 0.00 0.71 0.00 0.00 54.79 54.76 2kb4 n ASP 3 Cb 1.06 -4.51 0.01 0.00 -0.02 0.00 0.00 41.12 37.67 2kb4 n ASP 3 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2kb4 n ASN 4 N -2.96 2.04 -4.21 -2.24 6.94 -1.26 -4.63 115.26 108.94 2kb4 n ASN 4 Ca -0.04 -1.52 -0.41 0.00 -0.02 0.00 0.00 54.58 52.59 2kb4 n ASN 4 Cb 0.57 0.40 -0.05 0.00 -2.36 0.00 0.00 39.78 38.34 2kb4 n ASN 4 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2kb4 s ASN 5 N -2.22 6.20 -0.20 0.53 2.47 -1.26 -4.96 114.94 115.49 2kb4 s ASN 5 Ca 0.18 -3.14 -0.04 0.00 0.42 0.00 0.00 52.86 50.28 2kb4 s ASN 5 Cb 0.17 -2.03 0.09 0.00 -1.45 0.00 0.00 41.25 38.03 2kb4 s ASN 5 CO 0.48 -0.37 0.19 -0.83 -3.72 0.00 0.00 177.10 172.85 2kb4 s GLY 6 N 1.01 0.11 -0.20 1.21 0.00 -1.26 -5.13 107.32 103.05 2kb4 s GLY 6 Ca 0.22 0.02 -0.16 0.00 0.00 0.00 0.00 44.72 44.79 2kb4 s GLY 6 CO -0.08 2.07 0.41 -1.08 0.00 0.00 0.00 173.10 174.42 2kb4 s THR 7 N 2.27 5.19 0.45 0.90 -1.32 -1.26 -5.06 115.64 116.81 2kb4 s THR 7 Ca 0.06 0.73 -0.24 0.00 -1.21 0.00 0.00 61.69 61.03 2kb4 s THR 7 Cb -0.16 -3.74 -0.07 0.00 -1.51 0.00 0.00 72.50 67.02 2kb4 s THR 7 CO -0.14 0.24 1.26 -2.84 -2.21 0.00 0.00 174.62 170.94 2kb4 s PRO 8 N 1.37 3.73 0.04 7.08 0.02 -1.26 -5.01 135.00 140.97 2kb4 s PRO 8 Ca 0.20 2.03 -0.19 0.00 0.02 0.00 0.00 61.00 63.06 2kb4 s PRO 8 Cb -0.15 -2.53 -0.06 0.00 0.02 0.00 0.00 34.50 31.78 2kb4 s PRO 8 CO 0.08 -0.65 0.55 -1.83 -0.33 0.00 0.00 177.00 174.82 2kb4 s GLU 9 N -2.53 4.19 -0.57 5.54 -1.05 -1.26 -5.00 118.70 118.01 2kb4 s GLU 9 Ca 0.62 0.68 -0.27 0.00 -0.15 0.00 0.00 54.97 55.85 2kb4 s GLU 9 Cb -0.35 -3.26 0.01 0.00 -0.44 0.00 0.00 34.13 30.08 2kb4 s GLU 9 CO 0.43 0.58 1.53 -2.14 0.95 0.00 0.00 175.26 176.61 2kb4 s PRO 10 N -0.87 3.14 -0.27 -4.83 0.02 -1.26 -4.97 135.00 125.97 2kb4 s PRO 10 Ca 0.29 0.49 -0.17 0.00 0.02 0.00 0.00 61.00 61.62 2kb4 s PRO 10 Cb -0.19 -4.19 -0.03 0.00 0.02 0.00 0.00 34.50 30.11 2kb4 s PRO 10 CO 0.18 -2.13 0.49 1.14 -0.33 0.00 0.00 177.00 176.35 2kb4 s GLN 11 N 5.88 4.03 0.03 5.54 -2.07 -1.26 -5.04 119.66 126.77 2kb4 s GLN 11 Ca 0.56 0.25 -0.20 0.00 -1.82 0.00 0.00 55.36 54.14 2kb4 s GLN 11 Cb -0.12 -3.66 -0.06 0.00 -1.09 0.00 0.00 33.01 28.08 2kb4 s GLN 11 CO 0.24 -0.36 0.60 0.54 -1.32 0.00 0.00 175.29 174.98 2kb4 s VAL 12 N 2.28 4.82 0.14 3.63 0.11 -1.26 -5.04 120.40 125.09 2kb4 s VAL 12 Ca 0.20 1.27 -0.30 0.00 -2.93 0.00 0.00 61.98 60.22 2kb4 s VAL 12 Cb -0.16 -3.94 -0.07 0.00 -1.53 0.00 0.00 36.38 30.69 2kb4 s VAL 12 CO 0.10 0.47 1.04 -1.83 -3.33 0.00 0.00 175.10 171.54 2kb4 s GLU 13 N -0.54 4.63 -0.47 1.54 -1.05 -1.26 -4.97 118.70 116.58 2kb4 s GLU 13 Ca 0.31 1.60 0.07 0.00 -0.15 0.00 0.00 54.97 56.79 2kb4 s GLU 13 Cb -0.19 -3.33 0.24 0.00 -0.44 0.00 0.00 34.13 30.41 2kb4 s GLU 13 CO 0.18 0.12 0.56 2.41 0.95 0.00 0.00 175.26 179.48 2kb4 n THR 14 N 2.65 0.12 0.00 1.83 -1.04 -1.26 -5.01 114.28 111.57 2kb4 n THR 14 Ca 0.03 -4.29 0.00 0.00 -2.04 0.00 0.00 64.05 57.75 2kb4 n THR 14 Cb 0.48 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 2kb4 n THR 14 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2kb4 n THR 15 N 1.45 0.00 -2.59 12.58 5.66 -1.26 -5.07 114.28 125.05 2kb4 n THR 15 Ca 0.24 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.23 2kb4 n THR 15 Cb 0.49 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.33 2kb4 n THR 15 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2kb4 n SER 16 N 0.00 -0.26 -4.65 1.09 7.64 -1.26 -5.09 113.62 111.08 2kb4 n SER 16 Ca 0.00 -2.10 -0.42 0.00 1.01 0.00 0.00 58.87 57.35 2kb4 n SER 16 Cb 0.00 0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.36 2kb4 n SER 16 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2kb4 s VAL 17 N -1.02 3.42 -0.69 0.44 1.01 -1.26 -4.89 120.40 117.40 2kb4 s VAL 17 Ca 0.15 0.50 -0.26 0.00 0.00 0.00 0.00 61.98 62.37 2kb4 s VAL 17 Cb 0.33 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2kb4 s VAL 17 CO -0.09 -0.07 1.61 0.72 0.00 0.00 0.00 175.10 177.28 2kb4 s PHE 18 N 4.47 1.95 0.15 5.22 -0.71 -1.26 -4.95 117.98 122.86 2kb4 s PHE 18 Ca 0.79 0.37 0.07 0.00 -1.04 0.00 0.00 56.93 57.11 2kb4 s PHE 18 Cb -0.35 -4.33 -0.04 0.00 -1.21 0.00 0.00 43.02 37.09 2kb4 s PHE 18 CO 0.33 -2.17 -0.00 1.03 -1.34 0.00 0.00 175.22 173.06 2kb4 s ARG 19 N 6.43 2.44 -0.38 1.99 0.52 -1.26 -5.07 118.95 123.62 2kb4 s ARG 19 Ca 0.53 -1.03 0.03 0.00 -0.52 0.00 0.00 55.73 54.75 2kb4 s ARG 19 Cb -0.10 -2.41 0.16 0.00 0.52 0.00 0.00 34.95 33.12 2kb4 s ARG 19 CO 0.16 0.48 0.36 0.00 0.02 0.00 0.00 175.30 176.32 2kb4 s ALA 20 N -1.59 -0.19 0.00 2.13 0.00 -1.26 -5.04 121.76 115.81 2kb4 s ALA 20 Ca 0.27 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.80 2kb4 s ALA 20 Cb -0.10 -1.99 -0.17 0.00 0.00 0.00 0.00 23.12 20.86 2kb4 s ALA 20 CO 0.18 -2.14 1.22 -0.44 0.00 0.00 0.00 175.76 174.58 2kb4 h ASP 21 N 6.91 -0.27 0.00 0.00 3.32 -2.03 -3.46 116.42 120.89 2kb4 h ASP 21 Ca 0.07 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2kb4 h ASP 21 Cb 1.04 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2kb4 h ASP 21 CO 0.21 0.11 0.00 -0.11 -1.72 0.00 0.00 179.24 177.73 2kb4 n LEU 22 N -5.07 0.00 -3.40 1.55 -0.00 -1.26 -5.11 117.00 103.71 2kb4 n LEU 22 Ca -0.09 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.70 2kb4 n LEU 22 Cb 0.25 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.58 2kb4 n LEU 22 CO 0.30 0.00 -0.22 -1.48 -0.00 0.00 0.00 177.39 176.00 2kb4 s LEU 23 N 0.00 0.33 0.66 -1.96 -0.00 -1.26 -5.15 118.68 111.29 2kb4 s LEU 23 Ca 0.00 -1.81 0.01 0.00 -0.00 0.00 0.00 54.13 52.32 2kb4 s LEU 23 Cb 0.00 0.20 0.10 0.00 -0.00 0.00 0.00 46.19 46.49 2kb4 s LEU 23 CO 0.00 -0.28 0.91 -1.59 -0.00 0.00 0.00 176.35 175.40 2kb4 s LYS 24 N 1.29 1.99 -0.56 1.48 0.00 -1.26 -5.02 119.74 117.66 2kb4 s LYS 24 Ca 0.17 -1.05 -0.27 0.00 0.00 0.00 0.00 55.97 54.82 2kb4 s LYS 24 Cb -0.18 -2.40 0.03 0.00 0.00 0.00 0.00 37.83 35.28 2kb4 s LYS 24 CO -0.02 -1.18 1.10 -1.21 0.00 0.00 0.00 175.35 174.04 2kb4 s GLU 25 N -4.99 3.47 -0.05 1.78 0.41 -1.26 -4.98 118.70 113.08 2kb4 s GLU 25 Ca 0.63 0.11 0.03 0.00 -0.41 0.00 0.00 54.97 55.33 2kb4 s GLU 25 Cb -0.07 -4.02 0.01 0.00 -1.78 0.00 0.00 34.13 28.27 2kb4 s GLU 25 CO 0.42 -1.58 -0.13 1.41 -0.49 0.00 0.00 175.26 174.89 2kb4 s MET 26 N 4.56 1.51 0.22 1.61 -2.45 -1.26 -5.12 119.30 118.36 2kb4 s MET 26 Ca 0.39 -0.43 -0.22 0.00 -1.25 0.00 0.00 55.69 54.18 2kb4 s MET 26 Cb -0.09 -1.30 -0.08 0.00 1.25 0.00 0.00 34.83 34.61 2kb4 s MET 26 CO 0.24 0.11 0.76 -1.21 1.05 0.00 0.00 175.02 175.96 2kb4 s GLU 27 N 0.37 4.36 0.05 4.11 2.02 -1.26 -5.06 118.70 123.29 2kb4 s GLU 27 Ca -0.09 0.98 -0.03 0.00 0.02 0.00 0.00 54.97 55.86 2kb4 s GLU 27 Cb -0.13 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 2kb4 s GLU 27 CO 0.02 0.43 0.25 0.45 0.02 0.00 0.00 175.26 176.43 2kb4 s SER 28 N -1.51 6.42 -0.97 -0.19 0.15 -1.26 -5.02 113.70 111.31 2kb4 s SER 28 Ca 0.42 0.41 -0.21 0.00 0.70 0.00 0.00 55.95 57.26 2kb4 s SER 28 Cb -0.18 -2.02 0.09 0.00 -1.71 0.00 0.00 66.02 62.19 2kb4 s SER 28 CO 0.22 0.19 1.30 -0.44 1.20 0.00 0.00 173.24 175.71 2kb4 s SER 29 N -2.20 6.56 -0.34 5.45 0.01 -1.26 -4.91 113.70 117.01 2kb4 s SER 29 Ca 0.33 -1.72 0.03 0.00 1.31 0.00 0.00 55.95 55.91 2kb4 s SER 29 Cb -0.13 -2.49 0.10 0.00 0.21 0.00 0.00 66.02 63.71 2kb4 s SER 29 CO 0.23 -1.31 0.05 -0.89 0.41 0.00 0.00 173.24 171.73 2kb4 s THR 30 N 3.92 2.36 0.00 1.44 2.01 -1.26 -5.08 115.64 119.04 2kb4 s THR 30 Ca 0.40 -2.25 0.00 0.00 0.31 0.00 0.00 61.69 60.15 2kb4 s THR 30 Cb -0.02 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.78 2kb4 s THR 30 CO -0.10 -0.55 0.00 0.61 -0.69 0.00 0.00 174.62 173.89 2kb4 n GLY 31 N 4.30 2.45 3.63 4.40 0.00 -1.26 -5.12 105.19 113.59 2kb4 n GLY 31 Ca 0.02 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 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 3.56 3.71 -0.39 2.61 2.01 -1.26 -5.08 115.64 120.79 2kb4 s THR 32 Ca 0.00 -1.05 -0.21 0.00 0.31 0.00 0.00 61.69 60.74 2kb4 s THR 32 Cb 0.00 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.79 2kb4 s THR 32 CO 0.00 0.17 0.67 0.00 -0.69 0.00 0.00 174.62 174.77 2kb4 s ALA 33 N -1.22 3.40 0.15 7.40 0.00 -1.26 -5.04 121.76 125.18 2kb4 s ALA 33 Ca 0.22 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 2kb4 s ALA 33 Cb -0.11 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 2kb4 s ALA 33 CO 0.15 -1.57 0.98 -2.14 0.00 0.00 0.00 175.76 173.17 2kb4 s PRO 34 N 2.86 4.71 -0.19 0.00 0.02 -1.26 -5.04 135.00 136.09 2kb4 s PRO 34 Ca 0.25 1.50 -0.03 0.00 0.02 0.00 0.00 61.00 62.74 2kb4 s PRO 34 Cb -0.14 -3.34 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 2kb4 s PRO 34 CO 0.17 0.25 -0.07 0.00 -0.33 0.00 0.00 177.00 177.03 2kb4 s ALA 35 N -0.27 2.76 -0.59 -1.55 0.00 -1.26 -5.06 121.76 115.79 2kb4 s ALA 35 Ca 0.46 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 2kb4 s ALA 35 Cb -0.25 -1.56 0.15 0.00 0.00 0.00 0.00 23.12 21.46 2kb4 s ALA 35 CO 0.31 -0.23 0.50 0.45 0.00 0.00 0.00 175.76 176.78 2kb4 s SER 36 N 1.15 6.03 -0.00 0.00 0.15 -1.26 -5.05 113.70 114.71 2kb4 s SER 36 Ca 0.02 -2.17 0.00 0.00 0.70 0.00 0.00 55.95 54.50 2kb4 s SER 36 Cb -0.14 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 2kb4 s SER 36 CO -0.02 -0.67 0.05 -0.89 1.20 0.00 0.00 173.24 172.91 2kb4 s THR 37 N 0.98 4.48 -0.41 6.45 2.01 -1.26 -4.53 115.64 123.37 2kb4 s THR 37 Ca 0.09 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 61.69 2kb4 s THR 37 Cb -0.23 -3.03 0.30 0.00 0.01 0.00 0.00 72.50 69.56 2kb4 s THR 37 CO -0.02 0.37 0.76 0.61 -0.69 0.00 0.00 174.62 175.64 2kb4 n GLY 38 N 1.29 2.37 0.35 4.40 0.00 -1.26 -5.00 105.19 107.34 2kb4 n GLY 38 Ca -0.14 -1.10 0.17 0.00 0.00 0.00 0.00 46.02 44.95 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 3.44 2.35 -0.25 4.61 0.00 -1.99 -0.48 119.26 126.94 2kb4 h ALA 39 Ca 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2kb4 h ALA 39 Cb 0.97 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2kb4 h ALA 39 CO 0.40 -0.47 -0.23 1.05 0.00 0.00 0.00 179.25 180.00 2kb4 h GLU 40 N 0.04 0.45 0.13 0.00 4.11 -2.05 -3.10 114.58 114.17 2kb4 h GLU 40 Ca 0.20 -0.16 -0.26 0.00 0.07 0.00 0.00 59.36 59.21 2kb4 h GLU 40 Cb 0.76 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.98 2kb4 h GLU 40 CO -0.01 0.66 -1.28 -0.91 0.07 0.00 0.00 179.01 177.54 2kb4 h ASN 41 N 0.41 0.44 -5.54 3.06 4.21 -1.59 -3.49 115.58 113.07 2kb4 h ASN 41 Ca 0.06 -0.88 -0.07 0.00 1.21 0.00 0.00 56.30 56.62 2kb4 h ASN 41 Cb 0.62 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 2kb4 h ASN 41 CO 0.04 1.57 -0.34 -0.11 -1.29 0.00 0.00 177.43 177.31 2kb4 n LEU 42 N -3.95 -6.46 -4.76 1.61 7.94 -0.38 -4.95 117.00 106.05 2kb4 n LEU 42 Ca -0.22 0.04 -0.41 0.00 -1.11 0.00 0.00 56.01 54.31 2kb4 n LEU 42 Cb 0.90 -3.09 -0.02 0.00 0.53 0.00 0.00 43.42 41.75 2kb4 n LEU 42 CO 0.44 -1.32 1.10 -2.84 -1.11 0.00 0.00 177.39 173.66 2kb4 s PRO 43 N -3.03 4.23 0.24 1.96 0.02 -1.26 -4.99 135.00 132.16 2kb4 s PRO 43 Ca 0.10 2.39 -0.22 0.00 0.02 0.00 0.00 61.00 63.29 2kb4 s PRO 43 Cb -0.03 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.36 2kb4 s PRO 43 CO 0.78 -0.42 0.78 0.00 -0.33 0.00 0.00 177.00 177.81 2kb4 s ALA 44 N -0.58 3.37 0.00 -1.55 0.00 -1.26 -4.63 121.76 117.11 2kb4 s ALA 44 Ca 0.56 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2kb4 s ALA 44 Cb -0.43 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2kb4 s ALA 44 CO 0.51 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.97 2kb4 n GLY 45 N 0.79 -0.10 3.98 0.00 0.00 -1.26 -4.48 105.19 104.12 2kb4 n GLY 45 Ca -0.02 0.76 -0.19 0.00 0.00 0.00 0.00 46.02 46.57 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 6.00 -0.06 1.61 0.01 0.39 -4.81 113.70 116.84 2kb4 s SER 46 Ca 0.00 -0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.14 2kb4 s SER 46 Cb 0.00 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.92 2kb4 s SER 46 CO 0.00 -0.38 -0.18 0.00 0.41 0.00 0.00 173.24 173.09 2kb4 s ALA 47 N -2.15 1.68 -0.03 1.44 0.00 -0.77 -1.98 121.76 119.95 2kb4 s ALA 47 Ca 0.43 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.72 2kb4 s ALA 47 Cb -0.09 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 2kb4 s ALA 47 CO 0.31 0.26 -0.18 -0.48 0.00 0.00 0.00 175.76 175.67 2kb4 s LEU 48 N 0.23 2.56 -0.02 0.00 2.34 0.72 0.11 118.68 124.62 2kb4 s LEU 48 Ca -0.10 -0.29 0.08 0.00 0.06 0.00 0.00 54.13 53.88 2kb4 s LEU 48 Cb -0.14 -1.50 -0.02 0.00 -0.56 0.00 0.00 46.19 43.97 2kb4 s LEU 48 CO 0.04 0.33 -0.25 -1.48 -1.06 0.00 0.00 176.35 173.92 2kb4 s LEU 49 N -0.81 2.05 -0.14 1.48 0.05 -0.24 -0.50 118.68 120.57 2kb4 s LEU 49 Ca 0.12 -0.46 0.01 0.00 0.05 0.00 0.00 54.13 53.85 2kb4 s LEU 49 Cb -0.10 -1.31 0.00 0.00 -2.05 0.00 0.00 46.19 42.72 2kb4 s LEU 49 CO 0.01 0.31 -0.18 -0.69 -0.55 0.00 0.00 176.35 175.25 2kb4 s VAL 50 N -0.60 2.43 -0.34 1.48 1.01 0.62 -0.97 120.40 124.03 2kb4 s VAL 50 Ca 0.10 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 2kb4 s VAL 50 Cb -0.10 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2kb4 s VAL 50 CO -0.01 0.53 0.53 -0.69 0.00 0.00 0.00 175.10 175.46 2kb4 s VAL 51 N 0.69 5.00 -0.10 2.92 1.01 0.03 -0.21 120.40 129.74 2kb4 s VAL 51 Ca -0.09 0.45 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 2kb4 s VAL 51 Cb -0.16 -3.96 -0.28 0.00 0.00 0.00 0.00 36.38 31.98 2kb4 s VAL 51 CO 0.01 -0.19 0.71 0.11 0.00 0.00 0.00 175.10 175.74 2kb4 h LYS 52 N 8.40 0.18 -3.19 2.72 1.79 -1.84 -3.36 116.57 121.27 2kb4 h LYS 52 Ca -0.28 -0.30 -0.13 0.00 -2.18 0.00 0.00 60.65 57.76 2kb4 h LYS 52 Cb 1.12 0.11 -0.21 0.00 -1.58 0.00 0.00 32.23 31.68 2kb4 h LYS 52 CO 0.77 1.14 -0.35 1.03 -1.08 0.00 0.00 179.45 180.96 2kb4 s ARG 53 N -2.38 0.58 0.00 3.15 0.52 -1.21 -4.99 118.95 114.61 2kb4 s ARG 53 Ca -0.18 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 2kb4 s ARG 53 Cb 0.01 0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.74 2kb4 s ARG 53 CO 0.75 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 176.33 2kb4 n GLY 54 N 1.47 4.57 0.00 -3.53 0.00 -1.26 -3.65 105.19 102.79 2kb4 n GLY 54 Ca -0.21 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 44.94 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb4 n PRO 55 N -1.75 0.03 -0.27 1.61 -0.02 -1.26 -3.49 135.00 129.85 2kb4 n PRO 55 Ca 0.00 0.28 -0.12 0.00 -2.02 0.00 0.00 63.50 61.64 2kb4 n PRO 55 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 2kb4 n PRO 55 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2kb4 h ASN 56 N 0.00 -1.96 0.00 2.55 -0.73 -1.65 -3.41 115.58 110.38 2kb4 h ASN 56 Ca 0.00 0.28 0.00 0.00 1.87 0.00 0.00 56.30 58.45 2kb4 h ASN 56 Cb 0.18 0.84 0.00 0.00 0.27 0.00 0.00 38.32 39.61 2kb4 h ASN 56 CO 0.00 -0.31 0.00 0.00 -0.37 0.00 0.00 177.43 176.75 2kb4 n ALA 57 N -3.16 0.00 0.00 1.57 0.00 -1.23 -4.89 120.51 112.80 2kb4 n ALA 57 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kb4 n ALA 57 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N 0.00 0.78 1.41 0.00 0.00 -1.26 -4.95 105.19 101.18 2kb4 n GLY 58 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.32 -2.85 4.61 0.00 -1.26 -4.87 120.51 116.46 2kb4 n ALA 59 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 53.44 52.28 2kb4 n ALA 59 Cb 0.00 0.70 -0.16 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.60 2.34 -0.02 0.00 1.70 -1.26 -0.79 118.95 118.33 2kb4 s ARG 60 Ca 0.18 -0.80 0.05 0.00 -0.47 0.00 0.00 55.73 54.69 2kb4 s ARG 60 Cb 0.01 -1.97 -0.01 0.00 -0.57 0.00 0.00 34.95 32.41 2kb4 s ARG 60 CO 0.12 0.31 -0.17 -0.06 -1.08 0.00 0.00 175.30 174.43 2kb4 s PHE 61 N -0.03 1.51 -0.37 5.89 0.08 -0.14 -4.97 117.98 119.94 2kb4 s PHE 61 Ca -0.05 -0.30 -0.13 0.00 0.12 0.00 0.00 56.93 56.57 2kb4 s PHE 61 Cb -0.14 -0.98 0.01 0.00 -0.57 0.00 0.00 43.02 41.35 2kb4 s PHE 61 CO 0.04 -0.04 0.24 -1.17 -0.10 0.00 0.00 175.22 174.19 2kb4 s LEU 62 N -0.34 4.72 -0.32 -0.37 2.96 -1.26 -1.08 118.68 122.99 2kb4 s LEU 62 Ca 0.05 -0.77 -0.17 0.00 -0.22 0.00 0.00 54.13 53.03 2kb4 s LEU 62 Cb -0.07 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 2kb4 s LEU 62 CO -0.00 -0.35 0.45 -0.76 -1.32 0.00 0.00 176.35 174.37 2kb4 s LEU 63 N 1.64 4.26 0.00 -0.68 2.01 0.12 -4.83 118.68 121.20 2kb4 s LEU 63 Ca 0.04 0.07 0.00 0.00 0.01 0.00 0.00 54.13 54.25 2kb4 s LEU 63 Cb -0.18 -2.51 0.00 0.00 0.01 0.00 0.00 46.19 43.51 2kb4 s LEU 63 CO 0.09 -0.36 0.87 -0.67 1.01 0.00 0.00 176.35 177.28 2kb4 n ASP 64 N 5.55 1.66 -4.57 2.29 2.03 -1.26 -1.84 116.55 120.40 2kb4 n ASP 64 Ca -0.06 -1.75 -0.41 0.00 0.52 0.00 0.00 54.79 53.09 2kb4 n ASP 64 Cb 0.49 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.82 2kb4 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb4 s GLN 65 N -0.75 3.72 0.26 -0.67 -2.07 -1.26 -4.98 119.66 113.91 2kb4 s GLN 65 Ca 0.00 -0.03 -0.01 0.00 -1.82 0.00 0.00 55.36 53.49 2kb4 s GLN 65 Cb 0.00 -3.78 0.55 0.00 -1.09 0.00 0.00 33.01 28.69 2kb4 s GLN 65 CO 0.00 -0.59 1.73 -1.00 -1.32 0.00 0.00 175.29 174.10 2kb4 h PRO 66 N 8.37 0.45 -4.39 9.60 0.13 -1.95 -3.30 132.00 140.92 2kb4 h PRO 66 Ca -0.28 -0.03 -0.72 0.00 -0.87 0.00 0.00 66.00 64.10 2kb4 h PRO 66 Cb 1.13 -0.10 -0.29 0.00 0.13 0.00 0.00 31.00 31.87 2kb4 h PRO 66 CO 0.77 0.30 -0.44 0.99 -0.23 0.00 0.00 178.00 179.39 2kb4 s THR 67 N -5.97 4.21 -0.30 1.56 2.01 -1.26 -0.70 115.64 115.18 2kb4 s THR 67 Ca -0.12 -1.57 -0.07 0.00 0.31 0.00 0.00 61.69 60.24 2kb4 s THR 67 Cb 0.22 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 69.08 2kb4 s THR 67 CO 0.77 -0.62 0.08 -0.89 -0.69 0.00 0.00 174.62 173.27 2kb4 s THR 68 N 1.39 3.89 -0.12 -0.82 2.01 -0.10 -5.03 115.64 116.87 2kb4 s THR 68 Ca 0.04 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.28 2kb4 s THR 68 Cb -0.24 -3.04 -0.00 0.00 0.01 0.00 0.00 72.50 69.22 2kb4 s THR 68 CO 0.01 0.04 -0.19 0.28 -0.69 0.00 0.00 174.62 174.07 2kb4 s THR 69 N 1.48 2.46 -0.33 -0.82 -1.32 -1.26 0.02 115.64 115.86 2kb4 s THR 69 Ca 0.02 -0.87 -0.01 0.00 -1.21 0.00 0.00 61.69 59.62 2kb4 s THR 69 Cb -0.18 -1.99 0.07 0.00 -1.51 0.00 0.00 72.50 68.89 2kb4 s THR 69 CO 0.02 0.54 0.05 0.00 -2.21 0.00 0.00 174.62 173.02 2kb4 s ALA 70 N 0.46 2.90 0.00 11.08 0.00 -0.90 -2.18 121.76 133.12 2kb4 s ALA 70 Ca -0.13 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 49.79 2kb4 s ALA 70 Cb -0.17 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.91 2kb4 s ALA 70 CO 0.06 -1.44 0.00 0.41 0.00 0.00 0.00 175.76 174.78 2kb4 n GLY 71 N 4.57 0.09 2.58 0.00 0.00 -1.13 -2.15 105.19 109.14 2kb4 n GLY 71 Ca -0.09 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.09 0.76 0.29 1.61 3.00 -1.24 0.05 118.95 121.33 2kb4 s ARG 72 Ca 0.00 -1.41 0.00 0.00 -1.00 0.00 0.00 55.73 53.32 2kb4 s ARG 72 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 34.95 33.96 2kb4 s ARG 72 CO 0.00 -1.28 0.00 1.58 0.00 0.00 0.00 175.30 175.60 2kb4 n HIS 73 N 3.58 -2.25 -0.34 5.12 -0.00 -0.29 -2.61 115.22 118.43 2kb4 n HIS 73 Ca 0.19 1.17 0.18 0.00 -0.00 0.00 0.00 57.72 59.26 2kb4 n HIS 73 Cb 0.46 -2.04 0.40 0.00 -0.00 0.00 0.00 29.99 28.81 2kb4 n HIS 73 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2kb4 h PRO 74 N -0.83 0.54 -2.45 1.57 0.11 -1.93 -2.51 132.00 126.50 2kb4 h PRO 74 Ca -0.05 -0.03 -0.72 0.00 0.11 0.00 0.00 66.00 65.31 2kb4 h PRO 74 Cb 0.81 -0.12 -0.16 0.00 0.11 0.00 0.00 31.00 31.64 2kb4 h PRO 74 CO 0.03 0.36 1.87 -0.85 -0.21 0.00 0.00 178.00 179.20 2kb4 n GLU 75 N -4.86 4.36 -1.97 1.05 0.00 -1.26 -4.98 120.64 112.98 2kb4 n GLU 75 Ca 0.27 -3.49 -0.36 0.00 0.00 0.00 0.00 57.16 53.59 2kb4 n GLU 75 Cb 0.77 -2.52 0.04 0.00 0.00 0.00 0.00 31.44 29.72 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2kb4 s SER 76 N 0.07 5.13 0.07 -1.84 0.01 -0.95 -4.89 113.70 111.29 2kb4 s SER 76 Ca 0.52 2.37 -0.18 0.00 1.31 0.00 0.00 55.95 59.97 2kb4 s SER 76 Cb 0.22 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.74 2kb4 s SER 76 CO -0.13 -1.63 1.40 -0.78 0.41 0.00 0.00 173.24 172.51 2kb4 h ASP 77 N 0.78 0.49 -4.21 2.44 1.82 -1.79 -3.44 116.42 112.52 2kb4 h ASP 77 Ca -0.50 -0.44 -0.21 0.00 -0.39 0.00 0.00 57.03 55.49 2kb4 h ASP 77 Cb 1.30 -0.14 -0.25 0.00 0.68 0.00 0.00 39.33 40.92 2kb4 h ASP 77 CO 0.55 0.83 -0.71 0.27 -1.61 0.00 0.00 179.24 178.56 2kb4 s ILE 78 N -4.47 0.05 -0.18 2.25 -4.36 -0.93 -5.00 121.20 108.55 2kb4 s ILE 78 Ca -0.14 -0.35 -0.08 0.00 -0.26 0.00 0.00 60.65 59.82 2kb4 s ILE 78 Cb 0.07 -0.11 -0.04 0.00 1.25 0.00 0.00 42.46 43.62 2kb4 s ILE 78 CO 0.77 -0.19 0.08 0.72 0.24 0.00 0.00 174.94 176.57 2kb4 s PHE 79 N -0.56 3.32 -0.08 1.37 -0.71 -1.26 -2.84 117.98 117.22 2kb4 s PHE 79 Ca -0.06 0.18 0.11 0.00 -1.04 0.00 0.00 56.93 56.12 2kb4 s PHE 79 Cb -0.04 -2.09 -0.16 0.00 -1.21 0.00 0.00 43.02 39.52 2kb4 s PHE 79 CO -0.00 0.24 0.13 -0.11 -1.34 0.00 0.00 175.22 174.13 2kb4 n LEU 80 N 3.40 0.00 -3.85 -1.99 7.94 -1.26 -4.44 117.00 116.80 2kb4 n LEU 80 Ca -0.17 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.58 2kb4 n LEU 80 Cb 0.52 0.18 -0.15 0.00 0.53 0.00 0.00 43.42 44.50 2kb4 n LEU 80 CO 0.35 0.18 -0.37 -0.62 -1.11 0.00 0.00 177.39 175.82 2kb4 s ASP 81 N -4.05 0.31 -0.00 1.96 -1.08 -1.26 -2.18 116.67 110.37 2kb4 s ASP 81 Ca -0.05 -0.02 0.02 0.00 -0.52 0.00 0.00 52.55 51.98 2kb4 s ASP 81 Cb 0.05 -0.12 -0.03 0.00 -1.46 0.00 0.00 42.92 41.36 2kb4 s ASP 81 CO 0.49 -0.05 0.07 -0.67 0.52 0.00 0.00 175.17 175.54 2kb4 n ASP 82 N 3.68 2.49 0.07 -0.34 2.03 -1.26 -4.22 116.55 118.99 2kb4 n ASP 82 Ca -0.21 -0.25 0.08 0.00 0.52 0.00 0.00 54.79 54.92 2kb4 n ASP 82 Cb 0.54 1.06 -0.05 0.00 -0.72 0.00 0.00 41.12 41.95 2kb4 n ASP 82 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2kb4 n VAL 83 N -1.35 0.74 -3.46 5.18 0.24 -1.26 -4.38 118.33 114.05 2kb4 n VAL 83 Ca -0.00 -0.59 -0.28 0.00 -2.04 0.00 0.00 64.34 61.43 2kb4 n VAL 83 Cb 0.05 -0.42 -0.11 0.00 -1.47 0.00 0.00 33.84 31.89 2kb4 n VAL 83 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2kb4 s THR 84 N -3.23 0.47 -0.06 3.34 2.01 -1.26 -5.11 115.64 111.80 2kb4 s THR 84 Ca -0.02 -2.45 0.02 0.00 0.31 0.00 0.00 61.69 59.55 2kb4 s THR 84 Cb 0.10 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 2kb4 s THR 84 CO 0.81 -1.13 -0.10 0.54 -0.69 0.00 0.00 174.62 174.04 2kb4 s VAL 85 N 0.29 3.41 0.35 3.82 0.11 -1.26 -4.69 120.40 122.43 2kb4 s VAL 85 Ca 0.27 -0.59 0.06 0.00 -2.93 0.00 0.00 61.98 58.79 2kb4 s VAL 85 Cb -0.06 -2.37 -0.07 0.00 -1.53 0.00 0.00 36.38 32.35 2kb4 s VAL 85 CO -0.13 0.59 0.01 -0.44 -3.33 0.00 0.00 175.10 171.81 2kb4 s SER 86 N -0.76 3.03 0.32 3.54 0.01 -1.26 -5.03 113.70 113.55 2kb4 s SER 86 Ca 0.12 -1.33 0.09 0.00 1.31 0.00 0.00 55.95 56.13 2kb4 s SER 86 Cb -0.11 -0.22 0.53 0.00 0.21 0.00 0.00 66.02 66.43 2kb4 s SER 86 CO 0.01 -0.49 1.74 0.03 0.41 0.00 0.00 173.24 174.94 2kb4 h ARG 87 N 2.02 0.16 -2.48 12.44 3.08 -1.93 -3.30 114.38 124.37 2kb4 h ARG 87 Ca -0.42 -0.07 -0.41 0.00 0.07 0.00 0.00 59.98 59.15 2kb4 h ARG 87 Cb 1.24 -0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.92 2kb4 h ARG 87 CO 0.73 0.54 -0.70 -0.98 -1.07 0.00 0.00 179.97 178.49 2kb4 s ARG 88 N -4.15 0.24 0.00 0.04 3.03 -1.22 -1.14 118.95 115.75 2kb4 s ARG 88 Ca -0.04 -0.25 0.00 0.00 2.03 0.00 0.00 55.73 57.47 2kb4 s ARG 88 Cb 0.14 -0.97 0.00 0.00 -1.03 0.00 0.00 34.95 33.08 2kb4 s ARG 88 CO 0.76 -0.96 0.00 1.58 -1.13 0.00 0.00 175.30 175.54 2kb4 n HIS 89 N 5.29 0.00 -3.94 5.89 -0.00 0.11 -4.87 115.22 117.69 2kb4 n HIS 89 Ca -0.04 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.05 2kb4 n HIS 89 Cb 0.45 -0.03 -0.08 0.00 -0.12 0.00 0.00 29.99 30.21 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 -3.33 0.05 -0.08 1.57 0.00 -0.91 -2.70 121.76 116.35 2kb4 s ALA 90 Ca 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 2kb4 s ALA 90 Cb 0.00 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.62 2kb4 s ALA 90 CO 0.00 -0.48 0.22 -2.00 0.00 0.00 0.00 175.76 173.50 2kb4 s GLU 91 N -3.89 0.26 -0.18 0.00 2.12 0.24 -2.13 118.70 115.11 2kb4 s GLU 91 Ca 0.07 0.32 -0.01 0.00 0.36 0.00 0.00 54.97 55.72 2kb4 s GLU 91 Cb 0.06 0.11 -0.00 0.00 0.26 0.00 0.00 34.13 34.56 2kb4 s GLU 91 CO -0.09 -0.04 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.40 2kb4 s PHE 92 N 0.18 2.84 -0.21 5.30 0.40 0.10 -1.01 117.98 125.58 2kb4 s PHE 92 Ca -0.01 -1.11 -0.06 0.00 -0.60 0.00 0.00 56.93 55.16 2kb4 s PHE 92 Cb -0.02 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 2kb4 s PHE 92 CO -0.00 -0.55 0.02 1.03 0.70 0.00 0.00 175.22 176.42 2kb4 s ARG 93 N 1.08 3.64 -0.24 0.44 0.52 -0.28 -0.92 118.95 123.18 2kb4 s ARG 93 Ca -0.00 -0.50 -0.02 0.00 -0.52 0.00 0.00 55.73 54.69 2kb4 s ARG 93 Cb -0.15 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.20 2kb4 s ARG 93 CO -0.03 -0.03 -0.07 0.96 0.02 0.00 0.00 175.30 176.14 2kb4 s ILE 94 N 1.13 2.83 0.09 1.52 -5.25 0.12 0.02 121.20 121.66 2kb4 s ILE 94 Ca 0.03 -0.97 0.10 0.00 -0.99 0.00 0.00 60.65 58.82 2kb4 s ILE 94 Cb -0.14 -2.41 -0.03 0.00 2.95 0.00 0.00 42.46 42.83 2kb4 s ILE 94 CO 0.02 0.25 -0.27 0.21 -1.79 0.00 0.00 174.94 173.36 2kb4 s ASN 95 N 1.33 3.23 0.20 4.36 2.47 -0.16 -4.29 114.94 122.07 2kb4 s ASN 95 Ca 0.01 -0.67 0.14 0.00 0.42 0.00 0.00 52.86 52.77 2kb4 s ASN 95 Cb -0.16 -0.25 0.68 0.00 -1.45 0.00 0.00 41.25 40.06 2kb4 s ASN 95 CO -0.05 0.22 0.72 -1.84 -3.72 0.00 0.00 177.10 172.43 2kb4 n GLU 96 N 1.36 -0.02 0.00 0.43 0.28 -1.26 -1.19 120.64 120.24 2kb4 n GLU 96 Ca -0.17 0.58 0.00 0.00 -0.16 0.00 0.00 57.16 57.41 2kb4 n GLU 96 Cb 0.52 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 32.26 2kb4 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kb4 n GLY 97 N -1.22 -0.18 3.02 -1.84 0.00 -1.26 -4.60 105.19 99.10 2kb4 n GLY 97 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2kb4 n GLY 97 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kb4 s GLU 98 N -0.12 0.20 -0.29 1.61 1.03 -0.33 -4.66 118.70 116.13 2kb4 s GLU 98 Ca 0.00 0.73 -0.08 0.00 0.03 0.00 0.00 54.97 55.66 2kb4 s GLU 98 Cb 0.00 -0.12 -0.00 0.00 -0.80 0.00 0.00 34.13 33.21 2kb4 s GLU 98 CO 0.00 -0.34 0.09 -0.06 -1.33 0.00 0.00 175.26 173.62 2kb4 s PHE 99 N 2.46 3.14 -0.10 4.83 0.40 -1.26 -0.99 117.98 126.46 2kb4 s PHE 99 Ca 0.02 -0.80 -0.01 0.00 -0.60 0.00 0.00 56.93 55.54 2kb4 s PHE 99 Cb -0.13 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.10 2kb4 s PHE 99 CO -0.10 -0.52 -0.06 -1.21 0.70 0.00 0.00 175.22 174.03 2kb4 s GLU 100 N 1.54 3.11 -0.22 0.44 2.02 0.10 -0.16 118.70 125.53 2kb4 s GLU 100 Ca 0.04 -0.54 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 2kb4 s GLU 100 Cb -0.17 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.38 2kb4 s GLU 100 CO 0.03 0.49 -0.11 0.54 0.02 0.00 0.00 175.26 176.24 2kb4 s VAL 101 N -0.34 2.68 -0.13 2.63 0.11 -0.61 -1.13 120.40 123.60 2kb4 s VAL 101 Ca 0.05 -0.91 0.02 0.00 -2.93 0.00 0.00 61.98 58.22 2kb4 s VAL 101 Cb -0.12 -2.27 0.01 0.00 -1.53 0.00 0.00 36.38 32.47 2kb4 s VAL 101 CO 0.02 0.35 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.25 2kb4 s VAL 102 N 1.34 1.97 -0.34 2.04 1.01 -0.18 -1.43 120.40 124.80 2kb4 s VAL 102 Ca 0.03 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 2kb4 s VAL 102 Cb -0.15 -1.74 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 2kb4 s VAL 102 CO -0.07 0.53 0.56 -0.62 0.00 0.00 0.00 175.10 175.50 2kb4 s ASP 103 N 0.82 6.37 0.62 3.32 -1.08 -0.12 -0.60 116.67 126.00 2kb4 s ASP 103 Ca -0.08 0.11 0.35 0.00 -0.52 0.00 0.00 52.55 52.41 2kb4 s ASP 103 Cb -0.16 -2.29 2.03 0.00 -1.46 0.00 0.00 42.92 41.04 2kb4 s ASP 103 CO -0.01 -0.50 2.28 -0.37 0.52 0.00 0.00 175.17 177.09 2kb4 h VAL 104 N 5.61 0.33 0.00 1.11 -1.51 -1.78 -3.22 116.25 116.79 2kb4 h VAL 104 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 2kb4 h VAL 104 Cb 1.12 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2kb4 h VAL 104 CO 0.79 0.00 -0.11 0.61 -1.23 0.00 0.00 177.57 177.63 2kb4 n GLY 105 N -1.24 0.32 3.29 5.19 0.00 -1.26 -4.96 105.19 106.52 2kb4 n GLY 105 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 -5.59 -0.03 1.61 7.64 -1.22 -4.89 113.62 111.14 2kb4 n SER 106 Ca 0.00 -0.40 -0.14 0.00 1.01 0.00 0.00 58.87 59.33 2kb4 n SER 106 Cb 0.54 -4.50 -0.10 0.00 -1.01 0.00 0.00 64.21 59.14 2kb4 n SER 106 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kb4 h LEU 107 N -1.62 0.25 0.00 -3.43 5.85 -1.88 -3.29 115.31 111.18 2kb4 h LEU 107 Ca -0.53 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 57.52 2kb4 h LEU 107 Cb 1.35 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2kb4 h LEU 107 CO 0.57 0.88 -0.78 -3.20 -0.34 0.00 0.00 178.44 175.57 2kb4 n ASN 108 N -4.55 0.82 -0.19 1.25 5.15 -1.26 -5.02 115.26 111.46 2kb4 n ASN 108 Ca -0.09 -0.69 0.00 0.00 -0.60 0.00 0.00 54.58 53.20 2kb4 n ASN 108 Cb 0.45 1.10 0.00 0.00 -0.53 0.00 0.00 39.78 40.79 2kb4 n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kb4 n GLY 109 N 1.38 0.79 3.64 8.20 0.00 -1.24 -3.86 105.19 114.10 2kb4 n GLY 109 Ca 0.02 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.13 4.83 -0.02 2.61 2.01 -1.26 -0.64 115.64 121.05 2kb4 s THR 110 Ca 0.00 1.52 0.06 0.00 0.31 0.00 0.00 61.69 63.58 2kb4 s THR 110 Cb 0.00 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 2kb4 s THR 110 CO 0.00 -0.09 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.33 2kb4 s TYR 111 N 2.85 2.52 -0.33 4.92 1.51 0.89 -4.29 117.35 125.44 2kb4 s TYR 111 Ca 0.34 -0.29 -0.13 0.00 -1.01 0.00 0.00 57.07 55.99 2kb4 s TYR 111 Cb -0.15 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.13 2kb4 s TYR 111 CO 0.08 0.11 0.25 0.54 -1.11 0.00 0.00 175.55 175.41 2kb4 s VAL 112 N -0.71 5.28 0.00 0.71 0.11 -0.30 0.06 120.40 125.55 2kb4 s VAL 112 Ca 0.11 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2kb4 s VAL 112 Cb -0.10 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 2kb4 s VAL 112 CO 0.01 0.04 0.00 -3.20 -3.33 0.00 0.00 175.10 168.62 2kb4 n ASN 113 N 5.13 0.00 -0.20 3.54 2.85 -0.14 -0.13 115.26 126.31 2kb4 n ASN 113 Ca -0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 2kb4 n ASN 113 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 2kb4 n ASN 113 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2kb4 n ARG 114 N 0.00 0.00 -3.61 1.20 0.63 -1.26 -4.77 116.66 108.85 2kb4 n ARG 114 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 2kb4 n ARG 114 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 2kb4 n ARG 114 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2kb4 s GLU 115 N 0.00 3.49 -0.60 -0.14 2.56 0.82 -5.03 118.70 119.80 2kb4 s GLU 115 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 54.97 54.07 2kb4 s GLU 115 Cb 0.00 -3.65 0.01 0.00 2.00 0.00 0.00 34.13 32.49 2kb4 s GLU 115 CO 0.00 -0.38 1.44 -1.25 -0.56 0.00 0.00 175.26 174.51 2kb4 s PRO 116 N 1.67 3.21 0.13 4.30 0.04 -1.26 -1.15 135.00 141.95 2kb4 s PRO 116 Ca 0.06 0.35 0.05 0.00 0.04 0.00 0.00 61.00 61.50 2kb4 s PRO 116 Cb -0.17 -4.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.17 2kb4 s PRO 116 CO 0.08 -2.06 -0.12 1.03 0.04 0.00 0.00 177.00 175.98 2kb4 s ARG 117 N 5.71 1.02 0.02 4.56 1.81 -1.26 -5.03 118.95 125.78 2kb4 s ARG 117 Ca 0.51 -1.33 -0.18 0.00 -1.72 0.00 0.00 55.73 53.01 2kb4 s ARG 117 Cb -0.10 -0.73 -0.26 0.00 -0.45 0.00 0.00 34.95 33.40 2kb4 s ARG 117 CO 0.23 0.12 1.09 -0.91 -0.68 0.00 0.00 175.30 175.14 2kb4 h ASN 118 N 3.17 0.67 -4.53 0.23 2.35 -1.89 -3.44 115.58 112.14 2kb4 h ASN 118 Ca -0.38 -0.80 -0.14 0.00 -0.55 0.00 0.00 56.30 54.44 2kb4 h ASN 118 Cb 1.19 -0.21 -0.22 0.00 0.05 0.00 0.00 38.32 39.13 2kb4 h ASN 118 CO 0.57 1.39 -0.36 0.00 -1.65 0.00 0.00 177.43 177.38 2kb4 s ALA 119 N -3.07 -0.65 -0.01 -0.83 0.00 -1.26 -0.95 121.76 114.99 2kb4 s ALA 119 Ca -0.12 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.26 2kb4 s ALA 119 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2kb4 s ALA 119 CO 0.87 -0.20 -0.01 -1.14 0.00 0.00 0.00 175.76 175.27 2kb4 s GLN 120 N -0.76 0.15 -0.72 0.00 2.00 -0.52 -5.01 119.66 114.81 2kb4 s GLN 120 Ca -0.08 -0.03 -0.18 0.00 -2.00 0.00 0.00 55.36 53.07 2kb4 s GLN 120 Cb -0.04 -0.19 0.14 0.00 0.80 0.00 0.00 33.01 33.71 2kb4 s GLN 120 CO 0.02 0.01 0.81 0.08 -0.50 0.00 0.00 175.29 175.71 2kb4 s VAL 121 N 0.15 4.99 0.13 1.34 1.01 -1.26 -1.57 120.40 125.18 2kb4 s VAL 121 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.49 2kb4 s VAL 121 Cb -0.03 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.80 2kb4 s VAL 121 CO -0.00 -1.19 0.00 1.15 0.00 0.00 0.00 175.10 175.06 2kb4 n MET 122 N 5.83 -1.16 -3.96 2.72 0.00 0.77 -4.90 117.12 116.43 2kb4 n MET 122 Ca 0.03 0.86 -0.24 0.00 0.00 0.00 0.00 57.70 58.36 2kb4 n MET 122 Cb 0.45 -1.35 -0.17 0.00 0.00 0.00 0.00 33.22 32.15 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 -2.94 1.01 -0.18 3.17 2.00 -1.26 -5.07 119.66 116.39 2kb4 s GLN 123 Ca 0.00 -0.09 -0.05 0.00 -2.00 0.00 0.00 55.36 53.23 2kb4 s GLN 123 Cb 0.00 -1.16 -0.03 0.00 0.80 0.00 0.00 33.01 32.62 2kb4 s GLN 123 CO 0.00 -0.22 -0.01 -0.08 -0.50 0.00 0.00 175.29 174.48 2kb4 s THR 124 N 1.57 4.05 0.00 -0.34 -1.32 -1.26 -4.17 115.64 114.17 2kb4 s THR 124 Ca 0.00 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.19 2kb4 s THR 124 Cb -0.13 -2.81 0.00 0.00 -1.51 0.00 0.00 72.50 68.05 2kb4 s THR 124 CO -0.04 0.46 0.00 0.61 -2.21 0.00 0.00 174.62 173.43 2kb4 n GLY 125 N 3.88 0.54 2.19 6.08 0.00 0.83 -4.93 105.19 113.78 2kb4 n GLY 125 Ca -0.17 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 2kb4 n GLY 125 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kb4 n ASP 126 N 1.62 2.41 -4.32 1.61 -0.08 -1.19 -4.94 116.55 111.67 2kb4 n ASP 126 Ca 0.00 -2.36 -0.32 0.00 -1.51 0.00 0.00 54.79 50.60 2kb4 n ASP 126 Cb 0.09 0.33 -0.15 0.00 2.34 0.00 0.00 41.12 43.73 2kb4 n ASP 126 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2kb4 s GLU 127 N -3.08 3.15 -0.23 -0.67 2.02 -1.26 -1.16 118.70 117.48 2kb4 s GLU 127 Ca 0.03 -0.77 -0.10 0.00 0.02 0.00 0.00 54.97 54.15 2kb4 s GLU 127 Cb 0.00 -2.46 -0.05 0.00 0.10 0.00 0.00 34.13 31.72 2kb4 s GLU 127 CO 0.02 0.24 0.14 0.42 0.02 0.00 0.00 175.26 176.11 2kb4 s ILE 128 N 0.24 5.30 -0.39 -1.63 1.01 0.13 -0.96 121.20 124.90 2kb4 s ILE 128 Ca -0.12 0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.50 2kb4 s ILE 128 Cb -0.16 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.87 2kb4 s ILE 128 CO 0.06 0.38 0.55 -1.58 0.00 0.00 0.00 174.94 174.35 2kb4 s GLN 129 N 0.86 3.44 -0.58 2.79 0.74 0.11 -0.22 119.66 126.80 2kb4 s GLN 129 Ca 0.07 -0.31 -0.14 0.00 0.05 0.00 0.00 55.36 55.04 2kb4 s GLN 129 Cb -0.13 -3.88 0.14 0.00 1.10 0.00 0.00 33.01 30.25 2kb4 s GLN 129 CO 0.03 -0.79 0.51 0.96 -0.55 0.00 0.00 175.29 175.44 2kb4 s ILE 130 N 2.50 5.01 0.00 -2.34 -4.36 -0.05 -0.07 121.20 121.89 2kb4 s ILE 130 Ca 0.19 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 2kb4 s ILE 130 Cb -0.15 -4.21 0.00 0.00 1.25 0.00 0.00 42.46 39.35 2kb4 s ILE 130 CO 0.15 -0.88 0.00 0.61 0.24 0.00 0.00 174.94 175.06 2kb4 n GLY 131 N 4.89 1.21 0.00 6.27 0.00 0.19 -0.83 105.19 116.93 2kb4 n GLY 131 Ca -0.07 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.89 -3.40 1.61 5.02 -1.26 -4.92 118.16 116.10 2kb4 n LYS 132 Ca 0.00 -0.91 -0.20 0.00 -2.02 0.00 0.00 58.31 55.18 2kb4 n LYS 132 Cb 0.00 -0.93 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2kb4 s PHE 133 N -0.44 2.54 -0.04 2.13 0.08 -0.01 -5.07 117.98 117.18 2kb4 s PHE 133 Ca 0.00 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.56 2kb4 s PHE 133 Cb 0.00 -2.21 0.01 0.00 -0.57 0.00 0.00 43.02 40.25 2kb4 s PHE 133 CO 0.00 -0.31 -0.10 -0.98 -0.10 0.00 0.00 175.22 173.72 2kb4 s ARG 134 N -4.24 1.29 0.02 0.44 1.70 -1.24 -0.87 118.95 116.04 2kb4 s ARG 134 Ca 0.50 -0.34 0.07 0.00 -0.47 0.00 0.00 55.73 55.49 2kb4 s ARG 134 Cb -0.05 -1.14 -0.03 0.00 -0.57 0.00 0.00 34.95 33.16 2kb4 s ARG 134 CO 0.30 0.06 -0.21 -1.17 -1.08 0.00 0.00 175.30 173.20 2kb4 s LEU 135 N 0.46 2.43 -0.17 -1.89 2.96 0.69 -2.83 118.68 120.33 2kb4 s LEU 135 Ca -0.09 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 2kb4 s LEU 135 Cb -0.12 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 2kb4 s LEU 135 CO 0.02 0.28 0.01 -0.69 -1.32 0.00 0.00 176.35 174.64 2kb4 s VAL 136 N -0.82 4.28 -0.17 1.68 1.01 0.70 0.21 120.40 127.30 2kb4 s VAL 136 Ca 0.13 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2kb4 s VAL 136 Cb -0.10 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.40 2kb4 s VAL 136 CO 0.03 0.48 -0.18 0.12 0.00 0.00 0.00 175.10 175.55 2kb4 s PHE 137 N 0.36 2.56 -0.22 5.22 5.36 -0.30 -0.28 117.98 130.68 2kb4 s PHE 137 Ca -0.01 -1.50 -0.00 0.00 -0.96 0.00 0.00 56.93 54.46 2kb4 s PHE 137 Cb -0.13 -1.80 0.03 0.00 -0.34 0.00 0.00 43.02 40.77 2kb4 s PHE 137 CO 0.02 -0.76 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.39 2kb4 s LEU 138 N 1.36 2.79 -0.14 6.12 1.02 0.34 -0.12 118.68 130.05 2kb4 s LEU 138 Ca 0.05 -0.83 0.02 0.00 0.02 0.00 0.00 54.13 53.39 2kb4 s LEU 138 Cb -0.13 -1.58 0.02 0.00 0.02 0.00 0.00 46.19 44.52 2kb4 s LEU 138 CO -0.12 -0.08 -0.18 0.00 0.02 0.00 0.00 176.35 175.99 2kb4 s ALA 139 N 1.29 2.06 0.00 4.21 0.00 -1.26 -0.20 121.76 127.86 2kb4 s ALA 139 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2kb4 s ALA 139 Cb -0.16 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.95 2kb4 s ALA 139 CO -0.08 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2kb4 n GLY 140 N 4.38 1.93 3.63 0.00 0.00 -0.84 -4.86 105.19 109.43 2kb4 n GLY 140 Ca -0.19 -0.18 -0.56 0.00 0.00 0.00 0.00 46.02 45.08 2kb4 n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kb4 n PRO 141 N 0.00 0.87 -3.20 1.61 -0.04 -1.23 -4.16 135.00 128.84 2kb4 n PRO 141 Ca 0.00 0.31 -0.40 0.00 -0.04 0.00 0.00 63.50 63.38 2kb4 n PRO 141 Cb 0.00 -1.94 -0.07 0.00 -0.04 0.00 0.00 33.50 31.45 2kb4 n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb4 s ALA 142 N 1.69 3.59 0.00 0.55 0.00 -1.26 -0.46 121.76 125.86 2kb4 s ALA 142 Ca 0.92 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2kb4 s ALA 142 Cb -1.09 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 19.11 2kb4 s ALA 142 CO 0.58 -0.70 0.13 -1.91 0.00 0.00 0.00 175.76 173.86