#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 0.00 -3.69 7.83 0.02 -2.14 -3.42 113.55 112.14 2kb4 h SER 2 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 2kb4 h SER 2 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2kb4 h SER 2 CO 0.00 0.73 0.26 1.51 -1.14 0.00 0.00 176.83 178.19 2kb4 s ASP 3 N -6.68 7.39 0.06 3.07 -4.77 -1.26 -5.05 116.67 109.43 2kb4 s ASP 3 Ca 0.01 1.74 -0.28 0.00 -3.30 0.00 0.00 52.55 50.72 2kb4 s ASP 3 Cb 0.11 -2.54 0.09 0.00 -1.09 0.00 0.00 42.92 39.49 2kb4 s ASP 3 CO 0.77 0.09 1.04 0.54 0.70 0.00 0.00 175.17 178.31 2kb4 s ASN 4 N -1.38 -0.18 -0.29 2.11 4.22 -1.26 -5.16 114.94 113.00 2kb4 s ASN 4 Ca 0.42 -0.24 -0.16 0.00 -2.14 0.00 0.00 52.86 50.75 2kb4 s ASN 4 Cb -0.21 0.37 0.11 0.00 1.28 0.00 0.00 41.25 42.79 2kb4 s ASN 4 CO 0.26 -0.66 0.79 0.54 -2.04 0.00 0.00 177.10 175.99 2kb4 s ASN 5 N -2.81 -0.81 0.33 3.54 2.20 -1.26 -5.12 114.94 111.01 2kb4 s ASN 5 Ca 0.11 1.27 -0.04 0.00 -0.94 0.00 0.00 52.86 53.27 2kb4 s ASN 5 Cb 0.00 1.41 -0.05 0.00 -2.00 0.00 0.00 41.25 40.61 2kb4 s ASN 5 CO -0.02 -0.20 0.58 -0.83 -2.94 0.00 0.00 177.10 173.70 2kb4 s GLY 6 N 1.66 1.70 -0.03 0.45 0.00 -1.26 -5.06 107.32 104.78 2kb4 s GLY 6 Ca -0.09 -0.62 -0.27 0.00 0.00 0.00 0.00 44.72 43.73 2kb4 s GLY 6 CO -0.18 -0.52 0.87 -1.59 0.00 0.00 0.00 173.10 171.68 2kb4 s THR 7 N -2.22 4.94 0.10 0.90 2.01 -1.26 -5.01 115.64 115.10 2kb4 s THR 7 Ca 0.44 1.81 -0.31 0.00 0.31 0.00 0.00 61.69 63.93 2kb4 s THR 7 Cb -0.10 -4.21 -0.08 0.00 0.01 0.00 0.00 72.50 68.12 2kb4 s THR 7 CO 0.33 0.19 1.52 -2.84 -0.69 0.00 0.00 174.62 173.13 2kb4 s PRO 8 N 0.98 4.25 0.11 4.92 0.02 -1.26 -4.99 135.00 139.03 2kb4 s PRO 8 Ca 0.46 2.22 -0.26 0.00 0.02 0.00 0.00 61.00 63.44 2kb4 s PRO 8 Cb -0.20 -3.37 -0.07 0.00 0.02 0.00 0.00 34.50 30.89 2kb4 s PRO 8 CO 0.23 -0.59 0.82 -1.21 -0.33 0.00 0.00 177.00 175.92 2kb4 s GLU 9 N 1.74 4.58 -0.20 5.54 0.41 -1.26 -4.99 118.70 124.52 2kb4 s GLU 9 Ca 0.69 1.20 -0.29 0.00 -0.41 0.00 0.00 54.97 56.15 2kb4 s GLU 9 Cb -0.39 -3.33 -0.03 0.00 -1.78 0.00 0.00 34.13 28.61 2kb4 s GLU 9 CO 0.31 0.38 1.56 -2.14 -0.49 0.00 0.00 175.26 174.88 2kb4 s PRO 10 N -0.48 3.89 0.03 0.39 0.02 -1.26 -4.95 135.00 132.64 2kb4 s PRO 10 Ca 0.39 1.69 -0.30 0.00 0.02 0.00 0.00 61.00 62.80 2kb4 s PRO 10 Cb -0.22 -3.99 -0.07 0.00 0.02 0.00 0.00 34.50 30.24 2kb4 s PRO 10 CO 0.26 -1.17 1.58 -0.65 -0.33 0.00 0.00 177.00 176.69 2kb4 s GLN 11 N 4.44 4.22 0.04 5.54 1.11 -1.26 -4.89 119.66 128.86 2kb4 s GLN 11 Ca 0.69 2.19 -0.35 0.00 0.01 0.00 0.00 55.36 57.90 2kb4 s GLN 11 Cb -0.25 -3.66 -0.14 0.00 -1.01 0.00 0.00 33.01 27.96 2kb4 s GLN 11 CO 0.27 -0.70 1.63 1.33 0.01 0.00 0.00 175.29 177.83 2kb4 n VAL 12 N 4.84 0.18 -2.27 1.09 0.24 -1.26 -4.89 118.33 116.26 2kb4 n VAL 12 Ca 0.15 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.34 62.01 2kb4 n VAL 12 Cb 0.42 -1.47 -0.03 0.00 -1.47 0.00 0.00 33.84 31.29 2kb4 n VAL 12 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2kb4 s GLU 13 N 1.91 4.48 -0.06 7.34 -1.05 -1.26 -5.02 118.70 125.02 2kb4 s GLU 13 Ca 0.85 2.03 -0.05 0.00 -0.15 0.00 0.00 54.97 57.65 2kb4 s GLU 13 Cb -0.77 -3.13 0.02 0.00 -0.44 0.00 0.00 34.13 29.81 2kb4 s GLU 13 CO 0.46 -0.03 0.17 0.99 0.95 0.00 0.00 175.26 177.79 2kb4 s THR 14 N -1.01 -0.01 -0.14 1.83 2.01 -1.26 -5.14 115.64 111.92 2kb4 s THR 14 Ca 0.48 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.51 2kb4 s THR 14 Cb -0.36 -0.24 -0.00 0.00 0.01 0.00 0.00 72.50 71.90 2kb4 s THR 14 CO 0.47 0.01 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.35 2kb4 s THR 15 N 0.21 2.63 0.07 -0.82 2.01 -1.26 -5.01 115.64 113.48 2kb4 s THR 15 Ca -0.01 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.91 2kb4 s THR 15 Cb -0.02 -2.09 -0.17 0.00 0.01 0.00 0.00 72.50 70.22 2kb4 s THR 15 CO -0.01 0.52 1.62 -1.28 -0.69 0.00 0.00 174.62 174.78 2kb4 h SER 16 N 7.12 -0.46 -3.57 3.53 0.87 -2.05 -3.43 113.55 115.55 2kb4 h SER 16 Ca -0.30 -0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 60.00 2kb4 h SER 16 Cb 1.20 0.12 -0.31 0.00 -0.44 0.00 0.00 62.40 62.97 2kb4 h SER 16 CO 0.55 -0.29 -0.67 0.68 -0.53 0.00 0.00 176.83 176.57 2kb4 s VAL 17 N -5.92 -0.04 -0.32 2.23 -7.23 -1.26 -5.10 120.40 102.76 2kb4 s VAL 17 Ca -0.16 0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 59.86 2kb4 s VAL 17 Cb 0.04 -0.13 -0.01 0.00 0.56 0.00 0.00 36.38 36.85 2kb4 s VAL 17 CO 0.63 0.06 1.50 0.12 -0.31 0.00 0.00 175.10 177.09 2kb4 s PHE 18 N 0.76 2.30 -0.39 2.82 5.36 -1.26 -4.96 117.98 122.61 2kb4 s PHE 18 Ca -0.06 0.68 -0.13 0.00 -0.96 0.00 0.00 56.93 56.46 2kb4 s PHE 18 Cb -0.08 -4.10 0.02 0.00 -0.34 0.00 0.00 43.02 38.52 2kb4 s PHE 18 CO -0.03 -2.32 0.25 1.03 -1.46 0.00 0.00 175.22 172.69 2kb4 s ARG 19 N 4.79 2.89 -1.30 10.12 0.52 -1.26 -4.98 118.95 129.73 2kb4 s ARG 19 Ca 0.66 -1.06 -0.08 0.00 -0.52 0.00 0.00 55.73 54.73 2kb4 s ARG 19 Cb -0.19 -3.84 0.15 0.00 0.52 0.00 0.00 34.95 31.60 2kb4 s ARG 19 CO 0.30 -0.72 2.03 0.00 0.02 0.00 0.00 175.30 176.92 2kb4 n ALA 20 N 5.07 5.79 -0.14 2.13 0.00 -1.26 -4.64 120.51 127.46 2kb4 n ALA 20 Ca -0.11 -4.24 -0.10 0.00 0.00 0.00 0.00 53.44 48.98 2kb4 n ALA 20 Cb 0.46 -2.93 -0.01 0.00 0.00 0.00 0.00 19.45 16.97 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 5.42 0.65 -6.05 0.00 3.32 -2.02 -3.47 116.42 114.27 2kb4 h ASP 21 Ca 0.48 -0.28 -0.42 0.00 0.02 0.00 0.00 57.03 56.84 2kb4 h ASP 21 Cb 0.54 -0.17 0.06 0.00 0.22 0.00 0.00 39.33 39.97 2kb4 h ASP 21 CO 1.59 0.77 -0.80 0.18 -1.72 0.00 0.00 179.24 179.27 2kb4 n LEU 22 N -4.49 -3.15 -4.41 1.55 4.77 -1.26 -4.93 117.00 105.08 2kb4 n LEU 22 Ca -0.01 -0.77 -0.44 0.00 -0.03 0.00 0.00 56.01 54.77 2kb4 n LEU 22 Cb 0.25 -2.73 -0.07 0.00 -2.33 0.00 0.00 43.42 38.55 2kb4 n LEU 22 CO 0.40 0.43 0.22 -0.22 -1.33 0.00 0.00 177.39 176.89 2kb4 s LEU 23 N -6.80 5.28 -0.14 2.23 1.98 -1.26 -5.03 118.68 114.94 2kb4 s LEU 23 Ca 0.17 -1.14 -0.07 0.00 -2.89 0.00 0.00 54.13 50.21 2kb4 s LEU 23 Cb -0.08 -2.33 -0.04 0.00 0.66 0.00 0.00 46.19 44.39 2kb4 s LEU 23 CO 0.80 -0.82 0.10 -1.59 -1.89 0.00 0.00 176.35 172.95 2kb4 s LYS 24 N 2.24 3.64 0.11 1.98 0.00 -1.26 -5.09 119.74 121.36 2kb4 s LYS 24 Ca 0.10 -0.23 0.05 0.00 0.00 0.00 0.00 55.97 55.89 2kb4 s LYS 24 Cb -0.22 -3.19 -0.04 0.00 0.00 0.00 0.00 37.83 34.39 2kb4 s LYS 24 CO 0.09 0.57 0.05 -1.21 0.00 0.00 0.00 175.35 174.85 2kb4 s GLU 25 N -0.43 2.71 -0.15 1.78 2.02 -1.26 -5.10 118.70 118.26 2kb4 s GLU 25 Ca 0.11 -0.82 -0.12 0.00 0.02 0.00 0.00 54.97 54.16 2kb4 s GLU 25 Cb -0.12 -2.61 0.05 0.00 0.10 0.00 0.00 34.13 31.55 2kb4 s GLU 25 CO 0.02 0.53 0.39 0.00 0.02 0.00 0.00 175.26 176.22 2kb4 s MET 26 N -2.56 0.43 -1.01 1.61 0.23 -1.26 -5.08 119.30 111.66 2kb4 s MET 26 Ca 0.28 0.62 -0.23 0.00 -1.03 0.00 0.00 55.69 55.33 2kb4 s MET 26 Cb -0.11 0.13 -0.02 0.00 -1.53 0.00 0.00 34.83 33.30 2kb4 s MET 26 CO 0.21 -0.09 1.82 -1.21 -2.03 0.00 0.00 175.02 173.71 2kb4 s GLU 27 N 0.63 2.89 -0.18 3.16 0.41 -1.26 -4.90 118.70 119.45 2kb4 s GLU 27 Ca -0.03 -0.77 -0.00 0.00 -0.41 0.00 0.00 54.97 53.75 2kb4 s GLU 27 Cb -0.05 -5.20 0.00 0.00 -1.78 0.00 0.00 34.13 27.10 2kb4 s GLU 27 CO -0.04 -3.14 -0.14 0.45 -0.49 0.00 0.00 175.26 171.90 2kb4 s SER 28 N 6.77 3.64 -0.32 -0.19 0.15 -1.26 -5.07 113.70 117.42 2kb4 s SER 28 Ca 0.63 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.80 2kb4 s SER 28 Cb -0.03 -1.58 0.09 0.00 -1.71 0.00 0.00 66.02 62.79 2kb4 s SER 28 CO 0.00 0.03 0.02 -0.55 1.20 0.00 0.00 173.24 173.95 2kb4 s SER 29 N 1.11 4.75 -0.37 5.45 0.15 -1.26 -5.07 113.70 118.45 2kb4 s SER 29 Ca 0.00 -1.87 -0.13 0.00 0.70 0.00 0.00 55.95 54.66 2kb4 s SER 29 Cb -0.14 -1.64 0.01 0.00 -1.71 0.00 0.00 66.02 62.54 2kb4 s SER 29 CO -0.05 -0.34 0.24 0.42 1.20 0.00 0.00 173.24 174.72 2kb4 s THR 30 N 1.01 5.00 -0.24 6.45 -4.23 -1.26 -5.04 115.64 117.33 2kb4 s THR 30 Ca 0.04 -0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 59.96 2kb4 s THR 30 Cb -0.20 -3.71 0.03 0.00 1.34 0.00 0.00 72.50 69.96 2kb4 s THR 30 CO -0.06 -0.18 -0.10 -0.83 -0.54 0.00 0.00 174.62 172.91 2kb4 s GLY 31 N 1.65 1.59 0.31 3.99 0.00 -1.26 -5.10 107.32 108.50 2kb4 s GLY 31 Ca 0.04 -1.49 0.08 0.00 0.00 0.00 0.00 44.72 43.36 2kb4 s GLY 31 CO 0.09 0.50 0.11 -1.08 0.00 0.00 0.00 173.10 172.72 2kb4 s THR 32 N 1.27 3.32 -0.28 0.90 -1.32 -1.26 -5.09 115.64 113.18 2kb4 s THR 32 Ca -0.01 -1.71 -0.25 0.00 -1.21 0.00 0.00 61.69 58.52 2kb4 s THR 32 Cb -0.17 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.83 2kb4 s THR 32 CO -0.06 -0.25 0.84 0.00 -2.21 0.00 0.00 174.62 172.93 2kb4 s ALA 33 N -2.36 3.57 0.40 11.08 0.00 -1.26 -5.03 121.76 128.16 2kb4 s ALA 33 Ca 0.36 -0.27 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 2kb4 s ALA 33 Cb -0.04 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2kb4 s ALA 33 CO 0.22 -1.13 1.08 -1.25 0.00 0.00 0.00 175.76 174.68 2kb4 s PRO 34 N 3.00 4.14 -0.98 0.00 0.04 -1.26 -4.97 135.00 134.97 2kb4 s PRO 34 Ca 0.35 1.61 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 2kb4 s PRO 34 Cb -0.14 -2.59 0.15 0.00 0.04 0.00 0.00 34.50 31.95 2kb4 s PRO 34 CO 0.11 -0.18 1.17 0.00 0.04 0.00 0.00 177.00 178.13 2kb4 s ALA 35 N -1.57 3.55 -0.50 8.56 0.00 -1.26 -4.76 121.76 125.77 2kb4 s ALA 35 Ca 0.57 -2.93 0.13 0.00 0.00 0.00 0.00 51.96 49.74 2kb4 s ALA 35 Cb -0.25 -4.03 0.72 0.00 0.00 0.00 0.00 23.12 19.56 2kb4 s ALA 35 CO 0.31 -2.89 1.60 0.43 0.00 0.00 0.00 175.76 175.21 2kb4 n SER 36 N 6.18 5.07 -4.90 0.00 7.64 -1.26 -4.93 113.62 121.42 2kb4 n SER 36 Ca 0.26 -2.75 -0.30 0.00 1.01 0.00 0.00 58.87 57.10 2kb4 n SER 36 Cb 0.48 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 62.99 2kb4 n SER 36 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2kb4 s THR 37 N -2.43 5.08 0.00 0.44 -4.23 -1.26 -4.45 115.64 108.80 2kb4 s THR 37 Ca 0.48 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 2kb4 s THR 37 Cb 0.36 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2kb4 s THR 37 CO 0.16 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2kb4 n GLY 38 N -0.50 1.12 0.13 3.99 0.00 -1.26 -4.95 105.19 103.71 2kb4 n GLY 38 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 0.80 0.00 4.61 0.00 -1.99 -3.04 119.26 119.65 2kb4 h ALA 39 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2kb4 h ALA 39 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2kb4 h ALA 39 CO 0.00 0.81 0.00 -0.85 0.00 0.00 0.00 179.25 179.21 2kb4 n GLU 40 N -3.57 0.05 0.10 0.00 0.28 -1.26 -2.24 120.64 114.00 2kb4 n GLU 40 Ca -0.00 0.45 0.12 0.00 -0.16 0.00 0.00 57.16 57.57 2kb4 n GLU 40 Cb 0.68 -1.64 0.45 0.00 1.43 0.00 0.00 31.44 32.36 2kb4 n GLU 40 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kb4 n ASN 41 N -1.75 0.62 -4.72 -1.84 4.13 -1.15 -4.87 115.26 105.68 2kb4 n ASN 41 Ca 0.01 0.60 -0.37 0.00 1.68 0.00 0.00 54.58 56.49 2kb4 n ASN 41 Cb 0.08 -0.75 0.07 0.00 -1.54 0.00 0.00 39.78 37.64 2kb4 n ASN 41 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb4 n LEU 42 N -2.12 5.87 0.00 3.41 -0.00 -0.95 -5.00 117.00 118.20 2kb4 n LEU 42 Ca 0.04 0.84 0.00 0.00 -0.00 0.00 0.00 56.01 56.89 2kb4 n LEU 42 Cb 0.33 -1.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.20 2kb4 n LEU 42 CO 0.25 -1.04 0.23 -2.65 -0.00 0.00 0.00 177.39 174.18 2kb4 n PRO 43 N -1.80 0.00 -3.66 1.47 -0.02 -1.26 -5.05 135.00 124.69 2kb4 n PRO 43 Ca 0.16 0.23 -0.02 0.00 -2.02 0.00 0.00 63.50 61.85 2kb4 n PRO 43 Cb 0.48 -1.04 -0.01 0.00 -0.02 0.00 0.00 33.50 32.91 2kb4 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb4 s ALA 44 N -2.88 -1.94 0.00 3.55 0.00 -1.26 -5.09 121.76 114.14 2kb4 s ALA 44 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2kb4 s ALA 44 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.54 2kb4 s ALA 44 CO 0.00 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.21 2kb4 n GLY 45 N -0.41 -0.22 3.94 0.00 0.00 -1.26 -4.81 105.19 102.43 2kb4 n GLY 45 Ca -0.07 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 5.88 0.28 1.61 0.01 -1.26 -4.41 113.70 115.81 2kb4 s SER 46 Ca 0.00 0.47 0.06 0.00 1.31 0.00 0.00 55.95 57.78 2kb4 s SER 46 Cb 0.00 -1.70 -0.06 0.00 0.21 0.00 0.00 66.02 64.47 2kb4 s SER 46 CO 0.00 -0.72 -0.03 0.00 0.41 0.00 0.00 173.24 172.90 2kb4 s ALA 47 N -2.65 2.30 0.08 1.44 0.00 -1.26 -2.92 121.76 118.75 2kb4 s ALA 47 Ca 0.49 -1.92 0.06 0.00 0.00 0.00 0.00 51.96 50.58 2kb4 s ALA 47 Cb -0.10 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 2kb4 s ALA 47 CO 0.40 -0.14 -0.15 -0.48 0.00 0.00 0.00 175.76 175.39 2kb4 s LEU 48 N -3.44 2.30 0.09 0.00 0.05 -0.63 -0.15 118.68 116.91 2kb4 s LEU 48 Ca 0.31 -0.65 0.10 0.00 0.05 0.00 0.00 54.13 53.93 2kb4 s LEU 48 Cb 0.05 -0.56 -0.04 0.00 -2.05 0.00 0.00 46.19 43.60 2kb4 s LEU 48 CO 0.12 -0.07 -0.26 -1.48 -0.55 0.00 0.00 176.35 174.11 2kb4 s LEU 49 N -1.86 2.32 -0.11 1.48 0.05 -0.53 -0.33 118.68 119.70 2kb4 s LEU 49 Ca 0.00 -0.66 0.02 0.00 0.05 0.00 0.00 54.13 53.54 2kb4 s LEU 49 Cb -0.09 -1.29 0.01 0.00 -2.05 0.00 0.00 46.19 42.77 2kb4 s LEU 49 CO 0.03 0.21 -0.16 -0.69 -0.55 0.00 0.00 176.35 175.19 2kb4 s VAL 50 N -0.97 1.54 -0.30 1.48 1.01 0.77 -1.85 120.40 122.08 2kb4 s VAL 50 Ca 0.14 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 2kb4 s VAL 50 Cb -0.10 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 2kb4 s VAL 50 CO 0.05 0.45 0.51 -0.69 0.00 0.00 0.00 175.10 175.41 2kb4 s VAL 51 N 0.95 5.05 0.02 2.92 1.01 -0.41 -0.24 120.40 129.71 2kb4 s VAL 51 Ca -0.07 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2kb4 s VAL 51 Cb -0.15 -3.87 -0.26 0.00 0.00 0.00 0.00 36.38 32.10 2kb4 s VAL 51 CO -0.01 -0.03 0.93 0.11 0.00 0.00 0.00 175.10 176.11 2kb4 h LYS 52 N 8.20 0.18 -2.32 2.72 1.57 -1.34 -3.36 116.57 122.22 2kb4 h LYS 52 Ca -0.29 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.14 2kb4 h LYS 52 Cb 1.14 0.12 -0.24 0.00 0.08 0.00 0.00 32.23 33.32 2kb4 h LYS 52 CO 0.73 1.04 -0.20 0.50 -0.57 0.00 0.00 179.45 180.96 2kb4 s ARG 53 N -2.63 0.50 0.00 3.15 3.52 -0.91 -4.99 118.95 117.58 2kb4 s ARG 53 Ca -0.06 1.09 0.00 0.00 -0.13 0.00 0.00 55.73 56.62 2kb4 s ARG 53 Cb 0.07 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 2kb4 s ARG 53 CO 0.85 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 175.56 2kb4 n GLY 54 N 4.75 1.77 0.00 8.12 0.00 -1.26 -2.00 105.19 116.57 2kb4 n GLY 54 Ca -0.17 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -0.29 1.61 -0.02 -1.26 -1.86 135.00 133.18 2kb4 n PRO 55 Ca 0.00 0.40 0.15 0.00 -2.02 0.00 0.00 63.50 62.03 2kb4 n PRO 55 Cb 0.00 -1.53 0.41 0.00 -0.02 0.00 0.00 33.50 32.36 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 0.61 0.00 2.55 2.35 -1.84 -3.42 115.58 115.83 2kb4 h ASN 56 Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2kb4 h ASN 56 Cb 0.06 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2kb4 h ASN 56 CO 0.00 0.25 0.00 0.00 -1.65 0.00 0.00 177.43 176.03 2kb4 n ALA 57 N -2.43 0.00 -2.46 -0.83 0.00 -0.78 -3.95 120.51 110.06 2kb4 n ALA 57 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 2kb4 n ALA 57 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.50 0.22 1.36 0.00 0.00 -0.86 -5.01 105.19 99.40 2kb4 n GLY 58 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.23 -0.18 -2.40 4.61 0.00 -1.26 -4.88 120.51 114.18 2kb4 n ALA 59 Ca -0.05 -0.64 -0.29 0.00 0.00 0.00 0.00 53.44 52.46 2kb4 n ALA 59 Cb 0.55 0.52 -0.13 0.00 0.00 0.00 0.00 19.45 20.38 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 -2.30 1.42 -0.01 0.00 1.70 -1.26 -1.29 118.95 117.22 2kb4 s ARG 60 Ca 0.11 -1.34 -0.26 0.00 -0.47 0.00 0.00 55.73 53.77 2kb4 s ARG 60 Cb -0.01 -1.91 0.06 0.00 -0.57 0.00 0.00 34.95 32.52 2kb4 s ARG 60 CO 0.08 0.45 0.57 -0.59 -1.08 0.00 0.00 175.30 174.73 2kb4 s PHE 61 N -1.08 -0.51 0.11 5.89 -0.71 -0.77 -4.99 117.98 115.92 2kb4 s PHE 61 Ca 0.14 0.77 -0.20 0.00 -1.04 0.00 0.00 56.93 56.60 2kb4 s PHE 61 Cb -0.10 0.34 -0.07 0.00 -1.21 0.00 0.00 43.02 41.98 2kb4 s PHE 61 CO 0.06 -0.59 0.62 -0.48 -1.34 0.00 0.00 175.22 173.49 2kb4 s LEU 62 N -1.49 4.51 -0.29 -1.99 0.05 -1.26 -1.45 118.68 116.75 2kb4 s LEU 62 Ca -0.09 1.33 -0.29 0.00 0.05 0.00 0.00 54.13 55.13 2kb4 s LEU 62 Cb -0.01 -3.06 -0.01 0.00 -2.05 0.00 0.00 46.19 41.05 2kb4 s LEU 62 CO 0.05 0.23 1.55 -0.76 -0.55 0.00 0.00 176.35 176.86 2kb4 s LEU 63 N -1.27 3.76 -0.10 1.48 1.43 0.79 -4.74 118.68 120.02 2kb4 s LEU 63 Ca 0.32 1.33 0.06 0.00 -1.03 0.00 0.00 54.13 54.81 2kb4 s LEU 63 Cb -0.20 -3.53 -0.10 0.00 0.03 0.00 0.00 46.19 42.39 2kb4 s LEU 63 CO 0.21 -1.34 -0.02 -0.67 0.23 0.00 0.00 176.35 174.76 2kb4 n ASP 64 N 8.70 2.80 -4.67 2.29 2.03 -1.26 -4.45 116.55 121.99 2kb4 n ASP 64 Ca 0.18 -0.02 -0.43 0.00 0.52 0.00 0.00 54.79 55.04 2kb4 n ASP 64 Cb 0.46 0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 41.25 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kb4 s GLN 65 N -2.23 4.32 0.50 -0.67 1.11 -1.26 -4.91 119.66 116.51 2kb4 s GLN 65 Ca -0.09 1.42 0.26 0.00 0.01 0.00 0.00 55.36 56.97 2kb4 s GLN 65 Cb 0.03 -3.61 1.34 0.00 -1.01 0.00 0.00 33.01 29.76 2kb4 s GLN 65 CO 0.35 -0.51 1.88 -1.00 0.01 0.00 0.00 175.29 176.02 2kb4 h PRO 66 N 7.40 0.14 -3.16 2.91 0.13 -1.91 -3.13 132.00 134.38 2kb4 h PRO 66 Ca -0.25 -0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.30 2kb4 h PRO 66 Cb 1.10 -0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.80 2kb4 h PRO 66 CO 0.93 0.09 -0.77 0.99 -0.23 0.00 0.00 178.00 179.01 2kb4 s THR 67 N -5.14 0.64 -0.29 1.56 2.01 -1.26 -0.57 115.64 112.60 2kb4 s THR 67 Ca -0.06 -1.48 -0.19 0.00 0.31 0.00 0.00 61.69 60.27 2kb4 s THR 67 Cb 0.22 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 2kb4 s THR 67 CO 0.77 -0.77 0.56 -0.89 -0.69 0.00 0.00 174.62 173.61 2kb4 s THR 68 N 1.45 5.01 -0.23 -0.82 2.01 0.73 -4.90 115.64 118.90 2kb4 s THR 68 Ca 0.12 0.81 -0.06 0.00 0.31 0.00 0.00 61.69 62.87 2kb4 s THR 68 Cb -0.19 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 2kb4 s THR 68 CO -0.20 -0.03 0.02 -0.89 -0.69 0.00 0.00 174.62 172.83 2kb4 s THR 69 N 2.43 3.95 -0.51 -0.82 2.01 -1.26 -0.17 115.64 121.26 2kb4 s THR 69 Ca 0.22 -0.30 -0.17 0.00 0.31 0.00 0.00 61.69 61.76 2kb4 s THR 69 Cb -0.15 -2.82 0.09 0.00 0.01 0.00 0.00 72.50 69.62 2kb4 s THR 69 CO 0.11 0.38 0.51 0.00 -0.69 0.00 0.00 174.62 174.93 2kb4 s ALA 70 N 1.44 3.53 0.00 7.40 0.00 0.51 -2.89 121.76 131.74 2kb4 s ALA 70 Ca 0.05 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.85 2kb4 s ALA 70 Cb -0.15 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2kb4 s ALA 70 CO 0.01 -1.94 0.00 0.41 0.00 0.00 0.00 175.76 174.24 2kb4 n GLY 71 N 5.22 0.71 2.49 0.00 0.00 -1.25 -0.68 105.19 111.68 2kb4 n GLY 71 Ca -0.11 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 2kb4 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kb4 n ARG 72 N 0.00 0.97 -0.30 1.61 5.12 -1.26 -1.13 116.66 121.67 2kb4 n ARG 72 Ca 0.00 -2.56 0.19 0.00 -1.93 0.00 0.00 57.85 53.55 2kb4 n ARG 72 Cb 0.00 -1.34 0.37 0.00 -1.16 0.00 0.00 32.46 30.33 2kb4 n ARG 72 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2kb4 n HIS 73 N 0.46 0.76 -0.37 -1.55 -0.00 -1.26 -0.42 115.22 112.84 2kb4 n HIS 73 Ca 0.15 1.07 -0.02 0.00 -0.00 0.00 0.00 57.72 58.91 2kb4 n HIS 73 Cb 0.67 -1.29 0.10 0.00 -0.00 0.00 0.00 29.99 29.47 2kb4 n HIS 73 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2kb4 h PRO 74 N 0.00 1.29 -1.78 1.57 0.11 -1.97 -3.39 132.00 127.83 2kb4 h PRO 74 Ca 0.63 -0.08 -0.33 0.00 0.11 0.00 0.00 66.00 66.32 2kb4 h PRO 74 Cb 1.48 -0.29 -0.29 0.00 0.11 0.00 0.00 31.00 32.01 2kb4 h PRO 74 CO -0.78 0.86 -0.67 -1.21 -0.21 0.00 0.00 178.00 175.99 2kb4 s GLU 75 N -6.09 0.74 0.10 1.05 2.02 0.44 -5.14 118.70 111.82 2kb4 s GLU 75 Ca -0.13 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 53.92 2kb4 s GLU 75 Cb 0.18 -0.63 -0.04 0.00 0.10 0.00 0.00 34.13 33.73 2kb4 s GLU 75 CO 0.82 -1.23 0.20 -1.12 0.02 0.00 0.00 175.26 173.95 2kb4 s SER 76 N 1.26 6.11 0.05 -0.19 0.01 -0.82 -4.71 113.70 115.42 2kb4 s SER 76 Ca 0.20 0.14 -0.18 0.00 1.31 0.00 0.00 55.95 57.43 2kb4 s SER 76 Cb -0.11 -1.80 -0.16 0.00 0.21 0.00 0.00 66.02 64.17 2kb4 s SER 76 CO -0.05 0.12 1.28 0.44 0.41 0.00 0.00 173.24 175.44 2kb4 h ASP 77 N 2.74 0.61 -3.46 2.44 5.19 -1.86 -3.43 116.42 118.64 2kb4 h ASP 77 Ca -0.47 -0.59 -0.46 0.00 -0.62 0.00 0.00 57.03 54.90 2kb4 h ASP 77 Cb 1.18 -0.18 -0.33 0.00 0.18 0.00 0.00 39.33 40.18 2kb4 h ASP 77 CO 0.70 1.09 -0.79 0.27 -3.12 0.00 0.00 179.24 177.39 2kb4 s ILE 78 N -3.89 0.82 -0.31 0.35 -4.36 -1.25 -5.06 121.20 107.51 2kb4 s ILE 78 Ca -0.13 -0.30 -0.20 0.00 -0.26 0.00 0.00 60.65 59.76 2kb4 s ILE 78 Cb 0.06 -0.79 -0.01 0.00 1.25 0.00 0.00 42.46 42.98 2kb4 s ILE 78 CO 0.82 0.28 0.62 -0.36 0.24 0.00 0.00 174.94 176.54 2kb4 s PHE 79 N 0.75 3.20 1.13 1.37 0.40 -1.25 -3.78 117.98 119.80 2kb4 s PHE 79 Ca -0.13 0.53 -0.15 0.00 -0.60 0.00 0.00 56.93 56.58 2kb4 s PHE 79 Cb -0.15 -2.99 0.26 0.00 0.51 0.00 0.00 43.02 40.65 2kb4 s PHE 79 CO 0.02 -0.49 1.06 -0.51 0.70 0.00 0.00 175.22 176.00 2kb4 s LEU 80 N 2.59 0.90 0.11 -0.37 1.43 -1.26 -4.32 118.68 117.75 2kb4 s LEU 80 Ca 0.24 1.10 0.22 0.00 -1.03 0.00 0.00 54.13 54.67 2kb4 s LEU 80 Cb -0.15 -3.03 0.89 0.00 0.03 0.00 0.00 46.19 43.93 2kb4 s LEU 80 CO 0.12 -3.87 1.69 -0.67 0.23 0.00 0.00 176.35 173.85 2kb4 n ASP 81 N -4.65 0.33 -3.09 2.29 2.03 -1.26 -4.71 116.55 107.49 2kb4 n ASP 81 Ca 0.07 0.56 -0.16 0.00 0.52 0.00 0.00 54.79 55.78 2kb4 n ASP 81 Cb 0.57 -0.64 0.02 0.00 -0.72 0.00 0.00 41.12 40.35 2kb4 n ASP 81 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kb4 n ASP 82 N -1.84 -7.17 -0.04 1.67 9.92 -1.26 -4.96 116.55 112.86 2kb4 n ASP 82 Ca 0.04 0.22 -0.17 0.00 -0.53 0.00 0.00 54.79 54.35 2kb4 n ASP 82 Cb 0.27 -4.26 -0.14 0.00 -0.64 0.00 0.00 41.12 36.35 2kb4 n ASP 82 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2kb4 n VAL 83 N -0.55 1.66 -2.66 2.53 0.31 -1.26 -4.86 118.33 113.50 2kb4 n VAL 83 Ca 0.03 -0.69 -0.01 0.00 -0.01 0.00 0.00 64.34 63.67 2kb4 n VAL 83 Cb 0.53 -1.42 0.03 0.00 -0.91 0.00 0.00 33.84 32.07 2kb4 n VAL 83 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2kb4 s THR 84 N -2.55 -0.02 -0.13 2.52 2.01 -1.26 -5.15 115.64 111.05 2kb4 s THR 84 Ca -0.20 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 2kb4 s THR 84 Cb 0.07 0.00 -0.04 0.00 0.01 0.00 0.00 72.50 72.54 2kb4 s THR 84 CO 0.75 0.00 0.07 -0.69 -0.69 0.00 0.00 174.62 174.06 2kb4 s VAL 85 N 1.43 4.90 1.14 3.82 1.01 -1.26 -4.47 120.40 126.98 2kb4 s VAL 85 Ca 0.19 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 2kb4 s VAL 85 Cb 0.11 -3.14 0.28 0.00 0.00 0.00 0.00 36.38 33.62 2kb4 s VAL 85 CO -0.14 0.55 1.22 -0.55 0.00 0.00 0.00 175.10 176.19 2kb4 s SER 86 N -0.46 1.49 0.27 3.32 0.15 -1.26 -4.95 113.70 112.27 2kb4 s SER 86 Ca 0.10 0.33 0.03 0.00 0.70 0.00 0.00 55.95 57.11 2kb4 s SER 86 Cb -0.12 -0.37 0.39 0.00 -1.71 0.00 0.00 66.02 64.21 2kb4 s SER 86 CO 0.02 -3.74 1.69 -0.09 1.20 0.00 0.00 173.24 172.32 2kb4 h ARG 87 N -2.33 0.42 -3.48 5.44 2.43 -1.86 -3.39 114.38 111.61 2kb4 h ARG 87 Ca -0.43 -0.18 -0.34 0.00 -0.81 0.00 0.00 59.98 58.22 2kb4 h ARG 87 Cb 1.25 -0.01 -0.36 0.00 -0.42 0.00 0.00 29.97 30.42 2kb4 h ARG 87 CO 0.29 0.70 -0.74 1.03 -1.51 0.00 0.00 179.97 179.74 2kb4 s ARG 88 N -4.35 0.03 0.00 0.20 3.00 -1.26 -4.66 118.95 111.91 2kb4 s ARG 88 Ca -0.06 0.24 0.00 0.00 0.00 0.00 0.00 55.73 55.91 2kb4 s ARG 88 Cb 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 34.95 34.66 2kb4 s ARG 88 CO 0.79 -0.23 0.00 1.58 0.00 0.00 0.00 175.30 177.44 2kb4 n HIS 89 N 4.65 0.00 -4.06 -0.53 -0.00 -0.28 -4.06 115.22 110.95 2kb4 n HIS 89 Ca -0.17 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.69 2kb4 n HIS 89 Cb 0.50 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.22 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 -4.77 2.63 -0.18 1.57 0.00 0.14 -0.62 121.76 120.53 2kb4 s ALA 90 Ca 0.00 -1.93 -0.15 0.00 0.00 0.00 0.00 51.96 49.88 2kb4 s ALA 90 Cb 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 2kb4 s ALA 90 CO 0.00 -1.31 0.33 -1.21 0.00 0.00 0.00 175.76 173.58 2kb4 s GLU 91 N 1.06 4.22 -0.29 0.00 2.02 -0.21 -0.36 118.70 125.13 2kb4 s GLU 91 Ca -0.05 0.13 -0.03 0.00 0.02 0.00 0.00 54.97 55.04 2kb4 s GLU 91 Cb -0.20 -3.48 0.03 0.00 0.10 0.00 0.00 34.13 30.59 2kb4 s GLU 91 CO -0.06 0.12 0.02 -0.06 0.02 0.00 0.00 175.26 175.30 2kb4 s PHE 92 N 0.84 3.19 -0.23 1.61 0.08 0.76 -0.31 117.98 123.91 2kb4 s PHE 92 Ca 0.17 -1.54 -0.08 0.00 0.12 0.00 0.00 56.93 55.60 2kb4 s PHE 92 Cb -0.14 -2.15 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 2kb4 s PHE 92 CO 0.06 -0.73 0.10 0.50 -0.10 0.00 0.00 175.22 175.05 2kb4 s ARG 93 N 1.34 3.86 -0.23 0.44 3.52 0.40 -0.19 118.95 128.10 2kb4 s ARG 93 Ca -0.02 -0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 55.19 2kb4 s ARG 93 Cb -0.18 -3.36 0.02 0.00 -1.56 0.00 0.00 34.95 29.86 2kb4 s ARG 93 CO -0.01 0.01 -0.08 -1.50 -0.81 0.00 0.00 175.30 172.91 2kb4 s ILE 94 N 1.12 2.83 0.04 4.11 -1.16 0.26 -1.25 121.20 127.17 2kb4 s ILE 94 Ca 0.05 -0.90 0.08 0.00 -0.51 0.00 0.00 60.65 59.38 2kb4 s ILE 94 Cb -0.14 -2.37 -0.03 0.00 0.61 0.00 0.00 42.46 40.53 2kb4 s ILE 94 CO 0.04 0.30 -0.23 0.21 -2.81 0.00 0.00 174.94 172.45 2kb4 s ASN 95 N 1.35 3.43 0.36 4.50 3.84 -0.57 -4.64 114.94 123.22 2kb4 s ASN 95 Ca 0.02 -0.52 0.27 0.00 0.21 0.00 0.00 52.86 52.84 2kb4 s ASN 95 Cb -0.16 -0.42 1.25 0.00 -0.55 0.00 0.00 41.25 41.37 2kb4 s ASN 95 CO -0.06 0.26 1.81 1.05 -2.79 0.00 0.00 177.10 177.37 2kb4 h GLU 96 N 4.68 0.00 0.06 0.43 -0.00 -1.88 -2.72 114.58 115.16 2kb4 h GLU 96 Ca -0.47 0.00 -0.30 0.00 -0.00 0.00 0.00 59.36 58.59 2kb4 h GLU 96 Cb 1.15 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.87 2kb4 h GLU 96 CO 0.45 0.00 -1.63 0.41 -0.00 0.00 0.00 179.01 178.25 2kb4 n GLY 97 N -0.48 -0.70 2.96 1.06 0.00 -1.26 -4.97 105.19 101.80 2kb4 n GLY 97 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.46 0.39 -0.17 1.61 2.02 -1.03 -5.13 118.70 113.94 2kb4 s GLU 98 Ca -0.26 -0.22 -0.02 0.00 0.02 0.00 0.00 54.97 54.49 2kb4 s GLU 98 Cb 0.06 -0.36 -0.01 0.00 0.10 0.00 0.00 34.13 33.92 2kb4 s GLU 98 CO 0.68 0.10 -0.08 -0.06 0.02 0.00 0.00 175.26 175.91 2kb4 s PHE 99 N -0.22 2.90 -0.02 1.61 0.40 -1.26 -1.51 117.98 119.89 2kb4 s PHE 99 Ca 0.01 -0.72 0.03 0.00 -0.60 0.00 0.00 56.93 55.64 2kb4 s PHE 99 Cb -0.03 -1.96 -0.00 0.00 0.51 0.00 0.00 43.02 41.54 2kb4 s PHE 99 CO -0.00 -0.32 -0.09 -1.83 0.70 0.00 0.00 175.22 173.67 2kb4 s GLU 100 N 0.80 0.88 -0.15 0.44 -1.05 -0.38 -0.35 118.70 118.89 2kb4 s GLU 100 Ca -0.03 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 54.47 2kb4 s GLU 100 Cb -0.15 -0.83 -0.00 0.00 -0.44 0.00 0.00 34.13 32.70 2kb4 s GLU 100 CO 0.01 0.16 -0.15 0.54 0.95 0.00 0.00 175.26 176.78 2kb4 s VAL 101 N -0.00 2.75 -0.26 1.83 0.11 -0.41 -0.45 120.40 123.96 2kb4 s VAL 101 Ca 0.00 -0.74 -0.03 0.00 -2.93 0.00 0.00 61.98 58.27 2kb4 s VAL 101 Cb -0.06 -2.16 0.02 0.00 -1.53 0.00 0.00 36.38 32.64 2kb4 s VAL 101 CO 0.00 0.51 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.57 2kb4 s VAL 102 N 0.77 3.23 -0.46 2.04 1.01 0.58 -1.32 120.40 126.24 2kb4 s VAL 102 Ca -0.06 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 2kb4 s VAL 102 Cb -0.15 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.64 2kb4 s VAL 102 CO 0.01 0.18 0.52 -0.62 0.00 0.00 0.00 175.10 175.19 2kb4 s ASP 103 N 1.39 6.21 -0.10 3.32 2.15 0.52 -1.05 116.67 129.11 2kb4 s ASP 103 Ca 0.01 -0.85 0.13 0.00 0.43 0.00 0.00 52.55 52.28 2kb4 s ASP 103 Cb -0.17 -2.25 0.35 0.00 -0.30 0.00 0.00 42.92 40.56 2kb4 s ASP 103 CO -0.02 -0.73 1.27 1.33 -0.17 0.00 0.00 175.17 176.85 2kb4 n VAL 104 N 5.50 1.70 -2.33 1.11 0.24 0.21 -4.52 118.33 120.24 2kb4 n VAL 104 Ca -0.07 -1.61 -0.23 0.00 -2.04 0.00 0.00 64.34 60.38 2kb4 n VAL 104 Cb 0.46 0.05 0.01 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.43 5.66 0.10 7.63 0.00 -1.03 -4.72 105.19 112.40 2kb4 n GLY 105 Ca 0.15 -2.54 0.11 0.00 0.00 0.00 0.00 46.02 43.73 2kb4 n GLY 105 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kb4 n SER 106 N -0.55 0.52 -0.11 1.61 3.41 -1.26 -0.28 113.62 116.96 2kb4 n SER 106 Ca 0.37 0.63 -0.12 0.00 -0.26 0.00 0.00 58.87 59.50 2kb4 n SER 106 Cb 0.80 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2kb4 n SER 106 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2kb4 h LEU 107 N 0.00 0.64 -0.02 1.04 5.85 -1.94 -3.07 115.31 117.82 2kb4 h LEU 107 Ca 0.00 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 2kb4 h LEU 107 Cb 0.33 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2kb4 h LEU 107 CO 0.00 0.88 -0.21 -1.13 -0.34 0.00 0.00 178.44 177.63 2kb4 h ASN 108 N 0.41 0.22 0.00 1.25 -0.73 -1.60 -3.50 115.58 111.63 2kb4 h ASN 108 Ca 0.08 -0.73 0.00 0.00 1.87 0.00 0.00 56.30 57.52 2kb4 h ASN 108 Cb 0.61 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.13 2kb4 h ASN 108 CO 0.04 0.91 0.00 0.61 -0.37 0.00 0.00 177.43 178.62 2kb4 n GLY 109 N 0.90 0.08 3.62 1.57 0.00 0.61 -4.56 105.19 107.42 2kb4 n GLY 109 Ca -0.09 -0.79 -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 5.03 -0.15 2.61 2.01 -1.26 -1.29 115.64 122.60 2kb4 s THR 110 Ca 0.00 0.99 -0.07 0.00 0.31 0.00 0.00 61.69 62.92 2kb4 s THR 110 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2kb4 s THR 110 CO 0.00 0.06 0.09 -0.31 -0.69 0.00 0.00 174.62 173.77 2kb4 s TYR 111 N 2.37 3.37 -0.18 4.92 2.02 0.84 -3.81 117.35 126.89 2kb4 s TYR 111 Ca 0.23 0.28 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 2kb4 s TYR 111 Cb -0.16 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.41 2kb4 s TYR 111 CO 0.09 0.41 -0.16 0.08 -1.57 0.00 0.00 175.55 174.40 2kb4 s VAL 112 N -0.26 2.45 -1.14 0.71 1.01 0.33 -0.29 120.40 123.21 2kb4 s VAL 112 Ca 0.09 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2kb4 s VAL 112 Cb -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.22 2kb4 s VAL 112 CO 0.01 0.51 0.00 0.59 0.00 0.00 0.00 175.10 176.22 2kb4 n ASN 113 N 4.45 -4.63 -0.24 3.32 4.13 -0.07 -1.02 115.26 121.19 2kb4 n ASN 113 Ca -0.20 0.27 -0.03 0.00 1.68 0.00 0.00 54.58 56.30 2kb4 n ASN 113 Cb 0.51 -3.08 -0.01 0.00 -1.54 0.00 0.00 39.78 35.66 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kb4 n ARG 114 N -2.24 -1.04 -3.70 3.52 1.74 -1.25 -5.00 116.66 108.69 2kb4 n ARG 114 Ca -0.11 0.45 -0.37 0.00 -0.77 0.00 0.00 57.85 57.06 2kb4 n ARG 114 Cb 0.41 -4.33 -0.07 0.00 -1.02 0.00 0.00 32.46 27.45 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 -1.62 3.85 -0.18 5.56 2.02 -0.19 -4.92 118.70 123.21 2kb4 s GLU 115 Ca 0.00 0.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.71 2kb4 s GLU 115 Cb 0.00 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 2kb4 s GLU 115 CO 0.00 0.55 1.65 -2.14 0.02 0.00 0.00 175.26 175.35 2kb4 s PRO 116 N -0.45 3.85 -0.04 0.39 0.02 -1.26 -0.52 135.00 136.99 2kb4 s PRO 116 Ca 0.16 1.80 0.01 0.00 0.02 0.00 0.00 61.00 62.98 2kb4 s PRO 116 Cb -0.13 -4.04 0.02 0.00 0.02 0.00 0.00 34.50 30.37 2kb4 s PRO 116 CO 0.05 -1.23 -0.04 1.03 -0.33 0.00 0.00 177.00 176.47 2kb4 s ARG 117 N 4.61 0.75 0.18 5.54 1.81 -1.25 -4.97 118.95 125.62 2kb4 s ARG 117 Ca 0.73 -0.11 0.09 0.00 -1.72 0.00 0.00 55.73 54.72 2kb4 s ARG 117 Cb -0.27 -0.76 -0.02 0.00 -0.45 0.00 0.00 34.95 33.45 2kb4 s ARG 117 CO 0.30 -0.05 1.39 -2.95 -0.68 0.00 0.00 175.30 173.30 2kb4 h ASN 118 N 7.02 0.00 -3.69 0.23 7.08 -1.90 -3.40 115.58 120.91 2kb4 h ASN 118 Ca -0.38 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 52.64 2kb4 h ASN 118 Cb 1.16 0.00 -0.28 0.00 -2.08 0.00 0.00 38.32 37.12 2kb4 h ASN 118 CO 0.48 0.85 -0.54 0.00 -2.08 0.00 0.00 177.43 176.13 2kb4 s ALA 119 N -2.98 -0.38 0.01 4.14 0.00 -1.26 -0.35 121.76 120.94 2kb4 s ALA 119 Ca 0.01 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 2kb4 s ALA 119 Cb 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 2kb4 s ALA 119 CO 0.80 -0.10 0.04 -1.14 0.00 0.00 0.00 175.76 175.36 2kb4 s GLN 120 N 0.36 0.40 -0.41 0.00 2.00 -0.43 -5.00 119.66 116.57 2kb4 s GLN 120 Ca -0.02 -0.55 -0.29 0.00 -2.00 0.00 0.00 55.36 52.51 2kb4 s GLN 120 Cb -0.04 0.15 0.02 0.00 0.80 0.00 0.00 33.01 33.95 2kb4 s GLN 120 CO -0.01 -0.08 1.09 0.08 -0.50 0.00 0.00 175.29 175.86 2kb4 s VAL 121 N -1.54 4.36 0.03 1.34 1.01 -1.26 -1.29 120.40 123.05 2kb4 s VAL 121 Ca -0.15 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 2kb4 s VAL 121 Cb -0.08 -4.51 -0.08 0.00 0.00 0.00 0.00 36.38 31.71 2kb4 s VAL 121 CO -0.00 -0.78 1.73 -0.32 0.00 0.00 0.00 175.10 175.73 2kb4 s MET 122 N 4.06 4.18 -0.21 2.72 1.75 0.53 -4.89 119.30 127.43 2kb4 s MET 122 Ca 0.46 2.36 -0.07 0.00 -1.25 0.00 0.00 55.69 57.18 2kb4 s MET 122 Cb -0.09 -3.83 -0.04 0.00 2.84 0.00 0.00 34.83 33.71 2kb4 s MET 122 CO 0.25 -0.82 0.07 -1.14 -0.65 0.00 0.00 175.02 172.72 2kb4 s GLN 123 N 3.43 3.84 -0.31 4.11 2.00 -1.26 -4.52 119.66 126.94 2kb4 s GLN 123 Ca 0.77 -0.40 -0.29 0.00 -2.00 0.00 0.00 55.36 53.44 2kb4 s GLN 123 Cb -0.39 -3.26 0.01 0.00 0.80 0.00 0.00 33.01 30.18 2kb4 s GLN 123 CO 0.34 0.08 1.11 0.95 -0.50 0.00 0.00 175.29 177.27 2kb4 s THR 124 N 0.88 4.45 0.00 -0.34 -4.23 -1.26 -3.48 115.64 111.66 2kb4 s THR 124 Ca 0.04 1.68 0.00 0.00 -1.18 0.00 0.00 61.69 62.22 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 0.03 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 2kb4 n GLY 125 N 3.92 1.24 0.00 3.99 0.00 0.16 -4.74 105.19 109.75 2kb4 n GLY 125 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 1.14 -4.20 1.61 -0.08 -0.96 -4.96 116.55 109.09 2kb4 n ASP 126 Ca 0.00 -0.57 -0.20 0.00 -1.51 0.00 0.00 54.79 52.51 2kb4 n ASP 126 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 2kb4 n ASP 126 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2kb4 s GLU 127 N -0.71 0.91 -0.08 -0.67 -1.05 -1.26 -0.37 118.70 115.47 2kb4 s GLU 127 Ca 0.00 -1.01 0.03 0.00 -0.15 0.00 0.00 54.97 53.84 2kb4 s GLU 127 Cb 0.00 -1.00 0.01 0.00 -0.44 0.00 0.00 34.13 32.70 2kb4 s GLU 127 CO 0.00 0.23 -0.19 0.42 0.95 0.00 0.00 175.26 176.67 2kb4 s ILE 128 N -1.23 1.63 -0.25 1.83 1.01 0.39 -0.89 121.20 123.69 2kb4 s ILE 128 Ca 0.01 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.89 2kb4 s ILE 128 Cb -0.10 -1.44 0.04 0.00 0.01 0.00 0.00 42.46 40.98 2kb4 s ILE 128 CO 0.03 0.47 -0.09 -1.58 0.00 0.00 0.00 174.94 173.76 2kb4 s GLN 129 N 0.50 2.53 -0.50 2.79 0.74 0.60 -1.47 119.66 124.84 2kb4 s GLN 129 Ca -0.17 -1.17 -0.19 0.00 0.05 0.00 0.00 55.36 53.88 2kb4 s GLN 129 Cb -0.17 -2.92 0.06 0.00 1.10 0.00 0.00 33.01 31.08 2kb4 s GLN 129 CO 0.06 -0.48 0.62 0.96 -0.55 0.00 0.00 175.29 175.90 2kb4 s ILE 130 N 1.21 4.88 0.00 -2.34 -0.00 -0.65 -0.11 121.20 124.19 2kb4 s ILE 130 Ca -0.04 -0.47 0.00 0.00 -0.00 0.00 0.00 60.65 60.14 2kb4 s ILE 130 Cb -0.18 -4.29 0.00 0.00 -0.00 0.00 0.00 42.46 37.99 2kb4 s ILE 130 CO -0.05 -0.79 0.00 0.61 -0.00 0.00 0.00 174.94 174.70 2kb4 n GLY 131 N 5.17 1.39 0.07 6.27 0.00 -0.41 -1.15 105.19 116.52 2kb4 n GLY 131 Ca -0.06 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.14 2kb4 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kb4 n LYS 132 N 0.00 1.80 -3.84 1.61 5.02 -1.26 -4.95 118.16 116.54 2kb4 n LYS 132 Ca 0.00 -1.76 -0.35 0.00 -2.02 0.00 0.00 58.31 54.18 2kb4 n LYS 132 Cb 0.00 -1.09 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.51 3.40 -0.26 2.13 0.08 -0.30 -5.01 117.98 116.51 2kb4 s PHE 133 Ca 0.12 0.30 -0.14 0.00 0.12 0.00 0.00 56.93 57.34 2kb4 s PHE 133 Cb 0.10 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 2kb4 s PHE 133 CO 0.01 0.35 0.31 -0.98 -0.10 0.00 0.00 175.22 174.81 2kb4 s ARG 134 N 0.07 4.03 0.02 0.44 1.70 -0.85 -1.63 118.95 122.74 2kb4 s ARG 134 Ca 0.08 -0.05 0.07 0.00 -0.47 0.00 0.00 55.73 55.36 2kb4 s ARG 134 Cb -0.11 -3.62 -0.02 0.00 -0.57 0.00 0.00 34.95 30.62 2kb4 s ARG 134 CO -0.00 -0.18 -0.20 -1.17 -1.08 0.00 0.00 175.30 172.67 2kb4 s LEU 135 N 1.76 2.12 -0.02 -1.89 0.20 -0.54 -0.88 118.68 119.43 2kb4 s LEU 135 Ca 0.13 -0.45 0.07 0.00 0.69 0.00 0.00 54.13 54.57 2kb4 s LEU 135 Cb -0.15 -0.96 -0.02 0.00 -0.43 0.00 0.00 46.19 44.63 2kb4 s LEU 135 CO 0.09 0.18 -0.24 0.54 -0.29 0.00 0.00 176.35 176.63 2kb4 s VAL 136 N -0.66 2.19 -0.19 1.68 0.11 0.67 -0.46 120.40 123.73 2kb4 s VAL 136 Ca 0.07 -1.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.06 2kb4 s VAL 136 Cb -0.08 -1.78 0.03 0.00 -1.53 0.00 0.00 36.38 33.02 2kb4 s VAL 136 CO 0.01 0.57 -0.18 0.12 -3.33 0.00 0.00 175.10 172.29 2kb4 s PHE 137 N -0.64 2.85 0.46 1.54 5.36 0.51 -0.16 117.98 127.89 2kb4 s PHE 137 Ca 0.10 -1.77 0.05 0.00 -0.96 0.00 0.00 56.93 54.35 2kb4 s PHE 137 Cb -0.10 -1.91 -0.04 0.00 -0.34 0.00 0.00 43.02 40.63 2kb4 s PHE 137 CO -0.01 -0.82 0.05 -0.51 -1.46 0.00 0.00 175.22 172.48 2kb4 s LEU 138 N 1.26 2.66 0.53 6.12 2.01 0.56 0.38 118.68 132.19 2kb4 s LEU 138 Ca 0.02 -1.44 -0.20 0.00 0.01 0.00 0.00 54.13 52.52 2kb4 s LEU 138 Cb -0.14 -0.92 -0.07 0.00 0.01 0.00 0.00 46.19 45.07 2kb4 s LEU 138 CO -0.11 -0.67 1.11 0.00 1.01 0.00 0.00 176.35 177.69 2kb4 s ALA 139 N -2.77 2.75 0.18 4.21 0.00 -1.26 -1.60 121.76 123.27 2kb4 s ALA 139 Ca 0.24 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2kb4 s ALA 139 Cb 0.05 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2kb4 s ALA 139 CO 0.13 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2kb4 n GLY 140 N 0.06 1.42 3.67 0.00 0.00 -1.15 -4.18 105.19 105.02 2kb4 n GLY 140 Ca 0.11 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 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 2.21 4.22 -0.61 1.61 0.02 -1.26 -4.90 135.00 136.30 2kb4 s PRO 141 Ca 0.00 2.03 -0.24 0.00 0.02 0.00 0.00 61.00 62.81 2kb4 s PRO 141 Cb 0.00 -3.79 0.05 0.00 0.02 0.00 0.00 34.50 30.78 2kb4 s PRO 141 CO 0.00 -0.73 1.01 0.00 -0.33 0.00 0.00 177.00 176.95 2kb4 s ALA 142 N 3.33 3.08 0.00 -1.55 0.00 -1.26 -4.61 121.76 120.75 2kb4 s ALA 142 Ca 0.67 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2kb4 s ALA 142 Cb -0.31 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2kb4 s ALA 142 CO 0.26 -2.63 0.00 -1.91 0.00 0.00 0.00 175.76 171.48