#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 0.61 0.00 7.83 4.64 -2.12 -3.46 113.55 121.05 2kb4 h SER 2 Ca 0.00 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2kb4 h SER 2 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 2kb4 h SER 2 CO 0.00 0.80 0.00 0.47 -0.87 0.00 0.00 176.83 177.23 2kb4 n ASP 3 N -4.48 -1.65 -4.36 4.97 8.00 -1.26 -4.94 116.55 112.83 2kb4 n ASP 3 Ca -0.02 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.03 2kb4 n ASP 3 Cb 0.29 -1.83 -0.07 0.00 -0.02 0.00 0.00 41.12 39.49 2kb4 n ASP 3 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kb4 s ASN 4 N -2.25 6.14 -0.39 -2.24 4.22 -1.26 -5.02 114.94 114.14 2kb4 s ASN 4 Ca 0.00 -1.45 -0.24 0.00 -2.14 0.00 0.00 52.86 49.03 2kb4 s ASN 4 Cb 0.00 -2.18 0.02 0.00 1.28 0.00 0.00 41.25 40.36 2kb4 s ASN 4 CO 0.00 -0.70 0.83 0.20 -2.04 0.00 0.00 177.10 175.39 2kb4 s ASN 5 N 2.84 6.54 -0.34 3.54 -0.87 -1.26 -4.97 114.94 120.43 2kb4 s ASN 5 Ca 0.04 0.27 -0.28 0.00 -1.57 0.00 0.00 52.86 51.32 2kb4 s ASN 5 Cb -0.26 -2.41 -0.04 0.00 -0.02 0.00 0.00 41.25 38.52 2kb4 s ASN 5 CO 0.06 -0.83 2.04 -0.83 -2.57 0.00 0.00 177.10 174.97 2kb4 s GLY 6 N 1.96 0.47 -0.10 0.66 0.00 -1.26 -4.96 107.32 104.08 2kb4 s GLY 6 Ca 0.33 0.34 -0.13 0.00 0.00 0.00 0.00 44.72 45.26 2kb4 s GLY 6 CO 0.20 3.60 0.30 -1.08 0.00 0.00 0.00 173.10 176.11 2kb4 s THR 7 N 8.34 5.27 0.25 0.90 -1.32 -1.26 -5.05 115.64 122.77 2kb4 s THR 7 Ca 0.89 0.57 -0.30 0.00 -1.21 0.00 0.00 61.69 61.63 2kb4 s THR 7 Cb -0.25 -3.61 -0.10 0.00 -1.51 0.00 0.00 72.50 67.03 2kb4 s THR 7 CO 0.32 0.49 1.51 -2.84 -2.21 0.00 0.00 174.62 171.89 2kb4 s PRO 8 N -0.30 4.21 -0.07 7.08 0.02 -1.26 -5.01 135.00 139.67 2kb4 s PRO 8 Ca 0.18 2.40 -0.04 0.00 0.02 0.00 0.00 61.00 63.57 2kb4 s PRO 8 Cb -0.14 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 2kb4 s PRO 8 CO 0.07 -0.51 0.09 -1.21 -0.33 0.00 0.00 177.00 175.11 2kb4 s GLU 9 N -0.22 3.23 -0.47 5.54 2.02 -1.26 -4.99 118.70 122.54 2kb4 s GLU 9 Ca 0.62 -0.30 -0.43 0.00 0.02 0.00 0.00 54.97 54.88 2kb4 s GLU 9 Cb -0.44 -2.99 -0.18 0.00 0.10 0.00 0.00 34.13 30.61 2kb4 s GLU 9 CO 0.43 0.72 1.74 -2.30 0.02 0.00 0.00 175.26 175.87 2kb4 n PRO 10 N 1.76 0.00 -1.92 0.39 -0.02 -1.26 -4.81 135.00 129.15 2kb4 n PRO 10 Ca -0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.89 2kb4 n PRO 10 Cb 0.54 -1.40 -0.03 0.00 -0.02 0.00 0.00 33.50 32.59 2kb4 n PRO 10 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2kb4 s GLN 11 N 4.18 4.18 -0.25 -0.52 -2.07 -1.26 -4.95 119.66 118.97 2kb4 s GLN 11 Ca 1.05 2.33 -0.23 0.00 -1.82 0.00 0.00 55.36 56.68 2kb4 s GLN 11 Cb -1.40 -3.83 -0.01 0.00 -1.09 0.00 0.00 33.01 26.68 2kb4 s GLN 11 CO 0.69 -0.81 0.78 0.54 -1.32 0.00 0.00 175.29 175.17 2kb4 s VAL 12 N 3.43 4.86 -0.01 3.63 0.11 -1.26 -5.03 120.40 126.14 2kb4 s VAL 12 Ca 0.76 1.42 0.08 0.00 -2.93 0.00 0.00 61.98 61.31 2kb4 s VAL 12 Cb -0.38 -4.08 -0.02 0.00 -1.53 0.00 0.00 36.38 30.37 2kb4 s VAL 12 CO 0.33 -0.08 -0.24 -0.70 -3.33 0.00 0.00 175.10 171.08 2kb4 s GLU 13 N 2.78 1.89 0.08 1.54 2.56 -1.26 -5.11 118.70 121.18 2kb4 s GLU 13 Ca 0.33 -0.89 -0.24 0.00 0.00 0.00 0.00 54.97 54.16 2kb4 s GLU 13 Cb -0.15 -1.87 -0.06 0.00 2.00 0.00 0.00 34.13 34.05 2kb4 s GLU 13 CO 0.08 0.51 0.74 -0.08 -0.56 0.00 0.00 175.26 175.95 2kb4 s THR 14 N -0.60 4.64 -1.04 -1.70 -1.32 -1.26 -4.93 115.64 109.42 2kb4 s THR 14 Ca 0.09 1.59 0.12 0.00 -1.21 0.00 0.00 61.69 62.29 2kb4 s THR 14 Cb -0.09 -4.09 0.52 0.00 -1.51 0.00 0.00 72.50 67.32 2kb4 s THR 14 CO -0.00 0.43 1.36 0.35 -2.21 0.00 0.00 174.62 174.54 2kb4 n THR 15 N 2.37 1.44 -2.53 5.08 -2.24 -1.26 -4.84 114.28 112.30 2kb4 n THR 15 Ca -0.04 -0.85 -0.41 0.00 -2.27 0.00 0.00 64.05 60.48 2kb4 n THR 15 Cb 0.50 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 2kb4 n THR 15 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kb4 s SER 16 N -0.70 6.20 0.02 3.42 0.01 -1.26 -4.96 113.70 116.43 2kb4 s SER 16 Ca 0.36 -0.68 0.06 0.00 1.31 0.00 0.00 55.95 57.00 2kb4 s SER 16 Cb 0.24 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 2kb4 s SER 16 CO 0.15 -1.79 -0.18 0.68 0.41 0.00 0.00 173.24 172.51 2kb4 s VAL 17 N 5.72 1.45 0.43 3.43 -7.23 -1.26 -5.14 120.40 117.80 2kb4 s VAL 17 Ca 0.39 -0.97 -0.13 0.00 -1.81 0.00 0.00 61.98 59.46 2kb4 s VAL 17 Cb -0.06 -1.24 -0.07 0.00 0.56 0.00 0.00 36.38 35.56 2kb4 s VAL 17 CO 0.09 0.25 0.85 0.12 -0.31 0.00 0.00 175.10 176.09 2kb4 s PHE 18 N -0.64 3.45 0.00 2.82 5.36 -1.26 -5.08 117.98 122.63 2kb4 s PHE 18 Ca 0.06 1.22 0.00 0.00 -0.96 0.00 0.00 56.93 57.25 2kb4 s PHE 18 Cb -0.08 -2.58 0.00 0.00 -0.34 0.00 0.00 43.02 40.02 2kb4 s PHE 18 CO 0.01 -0.18 0.00 0.54 -1.46 0.00 0.00 175.22 174.13 2kb4 n ARG 19 N -1.28 2.97 -0.87 10.12 1.74 -1.26 -4.98 116.66 123.09 2kb4 n ARG 19 Ca 0.04 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.98 2kb4 n ARG 19 Cb 0.54 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.00 2kb4 n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kb4 n ALA 20 N -3.00 5.05 -0.21 7.54 0.00 -1.26 -4.56 120.51 124.07 2kb4 n ALA 20 Ca 0.00 -1.47 -0.01 0.00 0.00 0.00 0.00 53.44 51.97 2kb4 n ALA 20 Cb 0.00 -1.39 0.11 0.00 0.00 0.00 0.00 19.45 18.17 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 1.54 0.38 -3.08 0.00 5.19 -2.02 -3.35 116.42 115.08 2kb4 h ASP 21 Ca 0.24 0.06 -0.65 0.00 -0.62 0.00 0.00 57.03 56.06 2kb4 h ASP 21 Cb 0.93 -0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.28 2kb4 h ASP 21 CO 0.62 0.23 0.32 -0.76 -3.12 0.00 0.00 179.24 176.53 2kb4 s LEU 22 N -10.33 4.62 0.03 1.55 1.43 -1.26 -4.99 118.68 109.73 2kb4 s LEU 22 Ca -0.13 -0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 51.87 2kb4 s LEU 22 Cb 0.17 -2.55 -0.08 0.00 0.03 0.00 0.00 46.19 43.76 2kb4 s LEU 22 CO 0.75 -1.13 1.80 -0.22 0.23 0.00 0.00 176.35 177.78 2kb4 s LEU 23 N 3.34 4.39 0.00 1.79 0.20 -1.26 -4.98 118.68 122.16 2kb4 s LEU 23 Ca 0.21 2.53 -0.13 0.00 0.69 0.00 0.00 54.13 57.43 2kb4 s LEU 23 Cb -0.17 -3.54 0.18 0.00 -0.43 0.00 0.00 46.19 42.22 2kb4 s LEU 23 CO 0.13 -0.98 0.81 2.29 -0.29 0.00 0.00 176.35 178.31 2kb4 n LYS 24 N 6.78 -1.69 -2.98 1.98 2.85 -1.26 -5.03 118.16 118.80 2kb4 n LYS 24 Ca 0.18 -1.27 -0.33 0.00 -1.05 0.00 0.00 58.31 55.84 2kb4 n LYS 24 Cb 0.41 -1.01 -0.06 0.00 -0.65 0.00 0.00 35.03 33.72 2kb4 n LYS 24 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2kb4 s GLU 25 N -4.80 4.16 -0.31 -1.58 2.56 -1.26 -5.00 118.70 112.47 2kb4 s GLU 25 Ca 0.49 0.91 -0.27 0.00 0.00 0.00 0.00 54.97 56.11 2kb4 s GLU 25 Cb -0.03 -2.42 0.01 0.00 2.00 0.00 0.00 34.13 33.69 2kb4 s GLU 25 CO 0.36 0.12 0.95 1.41 -0.56 0.00 0.00 175.26 177.54 2kb4 s MET 26 N -2.87 4.03 0.68 4.30 -2.45 -1.26 -5.03 119.30 116.70 2kb4 s MET 26 Ca 0.56 0.88 -0.06 0.00 -1.25 0.00 0.00 55.69 55.81 2kb4 s MET 26 Cb -0.11 -3.73 0.05 0.00 1.25 0.00 0.00 34.83 32.29 2kb4 s MET 26 CO 0.17 -0.79 0.99 -1.21 1.05 0.00 0.00 175.02 175.23 2kb4 s GLU 27 N 3.32 2.36 0.44 4.11 2.02 -1.26 -4.96 118.70 124.73 2kb4 s GLU 27 Ca 0.40 -0.20 0.22 0.00 0.02 0.00 0.00 54.97 55.40 2kb4 s GLU 27 Cb -0.13 -2.19 1.19 0.00 0.10 0.00 0.00 34.13 33.10 2kb4 s GLU 27 CO 0.14 -1.12 1.84 0.77 0.02 0.00 0.00 175.26 176.90 2kb4 h SER 28 N -0.51 0.31 -5.96 -0.19 0.02 -2.08 -3.45 113.55 101.69 2kb4 h SER 28 Ca -0.45 0.04 -0.39 0.00 -0.84 0.00 0.00 61.79 60.15 2kb4 h SER 28 Cb 1.30 -0.01 0.09 0.00 0.14 0.00 0.00 62.40 63.92 2kb4 h SER 28 CO 0.60 0.10 -0.81 -1.20 -1.14 0.00 0.00 176.83 174.39 2kb4 n SER 29 N -4.47 -1.60 -4.62 3.07 7.64 -1.26 -4.81 113.62 107.58 2kb4 n SER 29 Ca 0.21 -0.76 -0.44 0.00 1.01 0.00 0.00 58.87 58.89 2kb4 n SER 29 Cb 0.82 -4.38 -0.04 0.00 -1.01 0.00 0.00 64.21 59.61 2kb4 n SER 29 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kb4 n THR 30 N -4.26 0.51 -2.79 0.44 -1.04 -1.26 -4.91 114.28 100.97 2kb4 n THR 30 Ca -0.28 -0.28 -0.43 0.00 -2.04 0.00 0.00 64.05 61.02 2kb4 n THR 30 Cb 0.67 -2.30 -0.03 0.00 -1.82 0.00 0.00 70.33 66.85 2kb4 n THR 30 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2kb4 s GLY 31 N 6.33 1.43 0.61 3.41 0.00 -1.26 -5.01 107.32 112.84 2kb4 s GLY 31 Ca 0.97 -2.08 -0.18 0.00 0.00 0.00 0.00 44.72 43.43 2kb4 s GLY 31 CO 0.41 2.22 1.18 -0.51 0.00 0.00 0.00 173.10 176.40 2kb4 s THR 32 N 4.06 2.75 0.05 0.90 -4.23 -1.26 -4.91 115.64 112.99 2kb4 s THR 32 Ca 0.30 0.43 -0.30 0.00 -1.18 0.00 0.00 61.69 60.94 2kb4 s THR 32 Cb -0.10 -3.10 -0.09 0.00 1.34 0.00 0.00 72.50 70.55 2kb4 s THR 32 CO 0.03 -0.13 1.85 0.00 -0.54 0.00 0.00 174.62 175.83 2kb4 s ALA 33 N -1.78 3.65 -0.44 3.99 0.00 -1.26 -4.78 121.76 121.14 2kb4 s ALA 33 Ca 0.75 1.30 -0.39 0.00 0.00 0.00 0.00 51.96 53.61 2kb4 s ALA 33 Cb -0.28 -3.79 -0.15 0.00 0.00 0.00 0.00 23.12 18.90 2kb4 s ALA 33 CO 0.35 -1.39 2.19 -2.30 0.00 0.00 0.00 175.76 174.61 2kb4 n PRO 34 N 6.72 0.55 -3.53 0.00 -0.02 -1.26 -4.89 135.00 132.58 2kb4 n PRO 34 Ca 0.18 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 2kb4 n PRO 34 Cb 0.40 -2.01 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 2kb4 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb4 s ALA 35 N 6.86 3.54 -0.08 3.55 0.00 -1.26 -5.02 121.76 129.35 2kb4 s ALA 35 Ca 1.15 -2.76 -0.01 0.00 0.00 0.00 0.00 51.96 50.34 2kb4 s ALA 35 Cb -1.15 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.00 2kb4 s ALA 35 CO 0.56 -2.00 -0.00 0.45 0.00 0.00 0.00 175.76 174.77 2kb4 s SER 36 N 2.37 5.18 0.19 0.00 0.15 -1.26 -4.95 113.70 115.38 2kb4 s SER 36 Ca 0.09 0.12 0.23 0.00 0.70 0.00 0.00 55.95 57.09 2kb4 s SER 36 Cb -0.23 -1.44 0.01 0.00 -1.71 0.00 0.00 66.02 62.65 2kb4 s SER 36 CO -0.02 0.37 1.05 0.41 1.20 0.00 0.00 173.24 176.25 2kb4 n THR 37 N 2.09 0.59 0.00 6.45 -1.04 -1.26 -4.89 114.28 116.22 2kb4 n THR 37 Ca -0.18 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 2kb4 n THR 37 Cb 0.53 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 2kb4 n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb4 n GLY 38 N 1.19 -0.02 0.29 3.41 0.00 -1.26 -5.03 105.19 103.77 2kb4 n GLY 38 Ca 0.00 0.62 0.16 0.00 0.00 0.00 0.00 46.02 46.80 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 1.27 0.00 4.61 0.00 -1.90 -1.21 119.26 122.03 2kb4 h ALA 39 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kb4 h ALA 39 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kb4 h ALA 39 CO 0.00 0.06 0.00 -0.85 0.00 0.00 0.00 179.25 178.46 2kb4 n GLU 40 N -3.54 0.04 0.13 0.00 0.28 -1.26 -1.01 120.64 115.28 2kb4 n GLU 40 Ca -0.02 0.47 0.05 0.00 -0.16 0.00 0.00 57.16 57.49 2kb4 n GLU 40 Cb 0.16 -1.61 0.48 0.00 1.43 0.00 0.00 31.44 31.90 2kb4 n GLU 40 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2kb4 h ASN 41 N 0.00 0.23 -4.04 -1.84 -1.24 -1.61 -3.35 115.58 103.74 2kb4 h ASN 41 Ca 0.00 -0.02 -0.70 0.00 0.71 0.00 0.00 56.30 56.30 2kb4 h ASN 41 Cb 0.08 -0.06 -0.35 0.00 0.73 0.00 0.00 38.32 38.72 2kb4 h ASN 41 CO 0.00 0.24 -0.39 -0.22 -1.29 0.00 0.00 177.43 175.77 2kb4 s LEU 42 N -9.11 5.23 0.00 0.34 0.20 -0.18 -4.92 118.68 110.25 2kb4 s LEU 42 Ca -0.06 -2.73 0.22 0.00 0.69 0.00 0.00 54.13 52.25 2kb4 s LEU 42 Cb 0.17 -1.85 0.51 0.00 -0.43 0.00 0.00 46.19 44.58 2kb4 s LEU 42 CO 0.71 -0.39 1.44 -0.81 -0.29 0.00 0.00 176.35 177.00 2kb4 n PRO 43 N 3.65 2.33 -0.68 0.98 -0.04 -1.26 -4.17 135.00 135.81 2kb4 n PRO 43 Ca 0.06 -2.01 0.02 0.00 -0.04 0.00 0.00 63.50 61.53 2kb4 n PRO 43 Cb 0.38 -1.48 0.26 0.00 -0.04 0.00 0.00 33.50 32.62 2kb4 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb4 n ALA 44 N 1.21 3.71 -2.37 0.55 0.00 -1.26 -4.28 120.51 118.08 2kb4 n ALA 44 Ca 0.19 -2.52 0.01 0.00 0.00 0.00 0.00 53.44 51.12 2kb4 n ALA 44 Cb 0.54 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 2kb4 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 45 N -0.56 0.88 3.95 0.00 0.00 -1.26 -4.96 105.19 103.23 2kb4 n GLY 45 Ca 0.29 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.74 5.94 0.14 1.61 0.01 -1.26 -4.99 113.70 113.41 2kb4 s SER 46 Ca 0.24 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2kb4 s SER 46 Cb 0.28 -1.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.05 2kb4 s SER 46 CO -0.12 -0.26 0.03 0.00 0.41 0.00 0.00 173.24 173.30 2kb4 s ALA 47 N -2.13 1.03 0.11 1.44 0.00 -1.03 -0.29 121.76 120.88 2kb4 s ALA 47 Ca 0.39 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 50.88 2kb4 s ALA 47 Cb -0.09 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 2kb4 s ALA 47 CO 0.29 -0.41 -0.07 -0.48 0.00 0.00 0.00 175.76 175.09 2kb4 s LEU 48 N -3.09 2.52 0.05 0.00 0.05 0.32 0.00 118.68 118.53 2kb4 s LEU 48 Ca 0.23 -1.01 0.06 0.00 0.05 0.00 0.00 54.13 53.46 2kb4 s LEU 48 Cb 0.07 -0.13 -0.02 0.00 -2.05 0.00 0.00 46.19 44.05 2kb4 s LEU 48 CO 0.02 -0.44 -0.16 -1.48 -0.55 0.00 0.00 176.35 173.74 2kb4 s LEU 49 N -3.07 2.20 -0.12 1.48 0.05 -0.57 -0.62 118.68 118.03 2kb4 s LEU 49 Ca 0.13 -0.52 0.01 0.00 0.05 0.00 0.00 54.13 53.79 2kb4 s LEU 49 Cb 0.05 -0.70 0.02 0.00 -2.05 0.00 0.00 46.19 43.51 2kb4 s LEU 49 CO -0.04 0.05 -0.12 -0.69 -0.55 0.00 0.00 176.35 175.00 2kb4 s VAL 50 N -0.94 1.34 -0.30 1.48 1.01 0.33 -1.95 120.40 121.37 2kb4 s VAL 50 Ca 0.03 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 2kb4 s VAL 50 Cb -0.09 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 2kb4 s VAL 50 CO 0.02 0.42 0.49 -0.69 0.00 0.00 0.00 175.10 175.34 2kb4 s VAL 51 N 1.35 5.06 -0.05 2.92 1.01 -0.17 -1.01 120.40 129.52 2kb4 s VAL 51 Ca 0.00 0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.70 2kb4 s VAL 51 Cb -0.14 -3.86 -0.24 0.00 0.00 0.00 0.00 36.38 32.15 2kb4 s VAL 51 CO -0.06 -0.02 0.65 0.11 0.00 0.00 0.00 175.10 175.78 2kb4 h LYS 52 N 8.21 0.05 -2.23 2.72 1.79 -1.83 -3.35 116.57 121.93 2kb4 h LYS 52 Ca -0.29 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.07 2kb4 h LYS 52 Cb 1.14 0.03 -0.23 0.00 -1.58 0.00 0.00 32.23 31.59 2kb4 h LYS 52 CO 0.73 0.65 -0.10 0.50 -1.08 0.00 0.00 179.45 180.15 2kb4 s ARG 53 N -2.60 0.59 0.00 3.15 6.06 -1.22 -5.02 118.95 119.90 2kb4 s ARG 53 Ca -0.07 1.09 0.00 0.00 -2.50 0.00 0.00 55.73 54.25 2kb4 s ARG 53 Cb 0.08 0.12 0.00 0.00 0.06 0.00 0.00 34.95 35.21 2kb4 s ARG 53 CO 0.82 -0.16 0.00 0.41 -2.50 0.00 0.00 175.30 173.87 2kb4 n GLY 54 N 4.38 4.70 0.00 8.12 0.00 -1.26 -2.71 105.19 118.41 2kb4 n GLY 54 Ca -0.20 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.19 0.00 -0.28 1.61 -0.02 -1.26 -2.55 135.00 131.32 2kb4 n PRO 55 Ca 0.00 0.45 0.04 0.00 -2.02 0.00 0.00 63.50 61.97 2kb4 n PRO 55 Cb 0.00 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.07 2kb4 n PRO 55 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kb4 n ASN 56 N -1.45 -0.31 0.11 2.55 2.85 -1.25 -4.74 115.26 113.01 2kb4 n ASN 56 Ca 0.00 1.31 0.00 0.00 -0.11 0.00 0.00 54.58 55.78 2kb4 n ASN 56 Cb 0.00 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 40.64 2kb4 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kb4 n ALA 57 N -3.70 0.00 -2.07 5.20 0.00 -1.06 -4.14 120.51 114.75 2kb4 n ALA 57 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 2kb4 n ALA 57 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.26 0.25 1.85 0.00 0.00 -1.18 -5.02 105.19 99.84 2kb4 n GLY 58 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N -1.17 0.23 -3.00 4.61 0.00 -1.26 -4.90 120.51 115.01 2kb4 n ALA 59 Ca -0.04 -1.05 -0.17 0.00 0.00 0.00 0.00 53.44 52.18 2kb4 n ALA 59 Cb 0.53 0.85 -0.15 0.00 0.00 0.00 0.00 19.45 20.68 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 -2.68 0.52 0.05 0.00 1.70 -1.26 -1.00 118.95 116.28 2kb4 s ARG 60 Ca 0.21 -0.16 -0.23 0.00 -0.47 0.00 0.00 55.73 55.08 2kb4 s ARG 60 Cb 0.01 -0.53 0.05 0.00 -0.57 0.00 0.00 34.95 33.91 2kb4 s ARG 60 CO 0.15 0.06 0.52 -0.59 -1.08 0.00 0.00 175.30 174.37 2kb4 s PHE 61 N 0.17 -0.43 -0.05 5.89 -0.71 -0.82 -5.01 117.98 117.00 2kb4 s PHE 61 Ca -0.02 0.49 -0.11 0.00 -1.04 0.00 0.00 56.93 56.24 2kb4 s PHE 61 Cb -0.06 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 42.05 2kb4 s PHE 61 CO -0.00 -0.65 0.29 -1.17 -1.34 0.00 0.00 175.22 172.35 2kb4 s LEU 62 N -1.96 4.43 -0.17 -1.99 0.20 -1.26 -1.50 118.68 116.42 2kb4 s LEU 62 Ca -0.05 0.75 -0.03 0.00 0.69 0.00 0.00 54.13 55.48 2kb4 s LEU 62 Cb -0.01 -2.36 -0.02 0.00 -0.43 0.00 0.00 46.19 43.37 2kb4 s LEU 62 CO -0.02 0.36 -0.05 -0.76 -0.29 0.00 0.00 176.35 175.59 2kb4 s LEU 63 N -1.02 3.09 -0.01 -0.68 1.02 0.10 -4.96 118.68 116.23 2kb4 s LEU 63 Ca 0.20 -0.23 0.11 0.00 0.02 0.00 0.00 54.13 54.23 2kb4 s LEU 63 Cb -0.15 -1.75 0.18 0.00 0.02 0.00 0.00 46.19 44.49 2kb4 s LEU 63 CO 0.09 0.11 1.07 -0.90 0.02 0.00 0.00 176.35 176.75 2kb4 n ASP 64 N 3.92 0.49 -4.85 2.29 5.75 -1.26 -2.48 116.55 120.41 2kb4 n ASP 64 Ca -0.18 -2.07 -0.34 0.00 -0.01 0.00 0.00 54.79 52.20 2kb4 n ASP 64 Cb 0.52 -0.25 -0.06 0.00 -1.03 0.00 0.00 41.12 40.30 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kb4 s GLN 65 N -0.15 3.91 0.19 0.11 1.11 -1.26 -4.23 119.66 119.35 2kb4 s GLN 65 Ca 0.15 0.41 -0.12 0.00 0.01 0.00 0.00 55.36 55.81 2kb4 s GLN 65 Cb 0.17 -2.82 0.17 0.00 -1.01 0.00 0.00 33.01 29.52 2kb4 s GLN 65 CO -0.07 0.42 1.78 -1.35 0.01 0.00 0.00 175.29 176.08 2kb4 h PRO 66 N 3.18 0.51 -3.05 2.91 0.11 -1.89 -3.36 132.00 130.41 2kb4 h PRO 66 Ca -0.48 -0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.03 2kb4 h PRO 66 Cb 1.18 -0.11 -0.40 0.00 0.11 0.00 0.00 31.00 31.78 2kb4 h PRO 66 CO 0.67 0.34 -0.78 0.99 -0.21 0.00 0.00 178.00 179.01 2kb4 s THR 67 N -6.12 0.45 -0.37 -1.15 2.01 -1.26 -2.10 115.64 107.10 2kb4 s THR 67 Ca -0.13 -1.32 -0.23 0.00 0.31 0.00 0.00 61.69 60.33 2kb4 s THR 67 Cb 0.15 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.32 2kb4 s THR 67 CO 0.74 -0.77 0.76 -0.89 -0.69 0.00 0.00 174.62 173.77 2kb4 s THR 68 N 1.59 4.75 -0.28 -0.82 2.01 0.78 -4.92 115.64 118.76 2kb4 s THR 68 Ca 0.12 0.80 -0.11 0.00 0.31 0.00 0.00 61.69 62.81 2kb4 s THR 68 Cb -0.18 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.08 2kb4 s THR 68 CO -0.23 -0.43 0.18 -0.89 -0.69 0.00 0.00 174.62 172.56 2kb4 s THR 69 N 3.04 5.27 -0.18 -0.82 2.01 -1.26 -0.72 115.64 122.97 2kb4 s THR 69 Ca 0.30 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.34 2kb4 s THR 69 Cb -0.13 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 2kb4 s THR 69 CO 0.17 0.26 0.22 0.00 -0.69 0.00 0.00 174.62 174.57 2kb4 s ALA 70 N 1.73 3.63 0.00 7.40 0.00 0.61 -1.38 121.76 133.76 2kb4 s ALA 70 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2kb4 s ALA 70 Cb -0.16 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.67 2kb4 s ALA 70 CO 0.11 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.38 2kb4 n GLY 71 N 3.50 -1.31 0.00 0.00 0.00 -0.53 0.03 105.19 106.88 2kb4 n GLY 71 Ca -0.14 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 0.18 1.61 5.12 -1.19 -1.52 116.66 120.86 2kb4 n ARG 72 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2kb4 n ARG 72 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.81 -3.53 -0.32 -1.55 -0.00 -1.26 -2.70 115.22 105.05 2kb4 n HIS 73 Ca 0.00 1.00 0.18 0.00 -0.00 0.00 0.00 57.72 58.90 2kb4 n HIS 73 Cb 0.00 2.30 0.43 0.00 -0.00 0.00 0.00 29.99 32.72 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 0.54 -0.12 1.57 0.11 -1.99 -2.52 132.00 129.60 2kb4 h PRO 74 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2kb4 h PRO 74 Cb 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 30.99 2kb4 h PRO 74 CO 0.00 0.36 0.00 0.39 -0.21 0.00 0.00 178.00 178.54 2kb4 n GLU 75 N -4.69 1.31 -2.89 1.05 1.02 -1.26 -5.05 120.64 110.13 2kb4 n GLU 75 Ca 0.24 -1.49 -0.08 0.00 -0.02 0.00 0.00 57.16 55.81 2kb4 n GLU 75 Cb 0.72 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 30.86 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2kb4 n SER 76 N 0.70 -0.76 -0.11 1.62 3.41 -0.95 -4.78 113.62 112.74 2kb4 n SER 76 Ca 0.09 -2.04 -0.18 0.00 -0.26 0.00 0.00 58.87 56.48 2kb4 n SER 76 Cb 0.35 1.42 -0.10 0.00 -0.26 0.00 0.00 64.21 65.63 2kb4 n SER 76 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kb4 n ASP 77 N -1.84 2.13 -4.44 4.04 2.03 -0.48 -4.45 116.55 113.54 2kb4 n ASP 77 Ca 0.00 -0.03 -0.27 0.00 0.52 0.00 0.00 54.79 55.01 2kb4 n ASP 77 Cb 0.32 -0.43 -0.12 0.00 -0.72 0.00 0.00 41.12 40.17 2kb4 n ASP 77 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2kb4 s ILE 78 N -2.45 2.49 -0.18 5.18 -4.36 -1.17 -4.88 121.20 115.84 2kb4 s ILE 78 Ca -0.31 -1.89 -0.06 0.00 -0.26 0.00 0.00 60.65 58.13 2kb4 s ILE 78 Cb 0.09 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 2kb4 s ILE 78 CO 0.49 -0.06 0.03 0.72 0.24 0.00 0.00 174.94 176.36 2kb4 s PHE 79 N -1.53 3.16 0.00 1.37 -0.71 -1.10 -1.46 117.98 117.72 2kb4 s PHE 79 Ca 0.20 -0.10 0.00 0.00 -1.04 0.00 0.00 56.93 55.99 2kb4 s PHE 79 Cb -0.09 -2.04 0.00 0.00 -1.21 0.00 0.00 43.02 39.68 2kb4 s PHE 79 CO 0.10 0.05 0.06 1.47 -1.34 0.00 0.00 175.22 175.56 2kb4 n LEU 80 N 3.62 0.00 -4.15 -1.99 -0.00 -0.57 -4.79 117.00 109.13 2kb4 n LEU 80 Ca -0.17 -0.25 -0.30 0.00 -0.00 0.00 0.00 56.01 55.29 2kb4 n LEU 80 Cb 0.52 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.77 2kb4 n LEU 80 CO 0.34 0.33 -0.53 -0.62 -0.00 0.00 0.00 177.39 176.91 2kb4 s ASP 81 N 0.00 2.72 0.00 1.45 -1.08 -1.22 -3.97 116.67 114.57 2kb4 s ASP 81 Ca 0.00 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.54 2kb4 s ASP 81 Cb 0.00 -1.24 0.00 0.00 -1.46 0.00 0.00 42.92 40.22 2kb4 s ASP 81 CO 0.00 0.10 0.18 0.47 0.52 0.00 0.00 175.17 176.44 2kb4 n ASP 82 N 3.77 0.37 0.04 -0.34 8.00 -1.26 -4.58 116.55 122.54 2kb4 n ASP 82 Ca -0.20 -0.72 -0.19 0.00 0.71 0.00 0.00 54.79 54.39 2kb4 n ASP 82 Cb 0.52 0.25 -0.14 0.00 -0.02 0.00 0.00 41.12 41.73 2kb4 n ASP 82 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2kb4 h VAL 83 N 0.22 0.88 -0.41 2.53 3.04 -1.96 -3.44 116.25 117.11 2kb4 h VAL 83 Ca 0.00 -2.56 -0.01 0.00 -1.01 0.00 0.00 66.70 63.12 2kb4 h VAL 83 Cb 0.11 2.63 -0.16 0.00 -2.01 0.00 0.00 31.29 31.87 2kb4 h VAL 83 CO 0.00 0.82 -0.22 -0.89 -1.01 0.00 0.00 177.57 176.27 2kb4 s THR 84 N -2.59 -0.41 -0.60 3.17 2.01 -1.26 -5.10 115.64 110.86 2kb4 s THR 84 Ca -0.15 -0.33 -0.26 0.00 0.31 0.00 0.00 61.69 61.26 2kb4 s THR 84 Cb 0.07 0.00 0.04 0.00 0.01 0.00 0.00 72.50 72.61 2kb4 s THR 84 CO 0.82 0.00 1.10 0.54 -0.69 0.00 0.00 174.62 176.39 2kb4 s VAL 85 N 1.14 4.13 -0.01 3.82 0.11 -1.26 -4.82 120.40 123.50 2kb4 s VAL 85 Ca 0.23 0.50 -0.21 0.00 -2.93 0.00 0.00 61.98 59.58 2kb4 s VAL 85 Cb 0.08 -4.69 -0.25 0.00 -1.53 0.00 0.00 36.38 29.99 2kb4 s VAL 85 CO -0.10 -1.35 1.04 0.28 -3.33 0.00 0.00 175.10 171.64 2kb4 h SER 86 N 9.54 0.48 -0.49 3.54 0.02 -1.97 -3.49 113.55 121.18 2kb4 h SER 86 Ca -0.26 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 59.88 2kb4 h SER 86 Cb 1.06 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2kb4 h SER 86 CO 1.17 1.22 0.00 0.54 -1.14 0.00 0.00 176.83 178.62 2kb4 n ARG 87 N -4.24 0.00 -1.66 3.45 5.12 -1.26 -5.09 116.66 112.99 2kb4 n ARG 87 Ca -0.11 0.00 -0.49 0.00 -1.93 0.00 0.00 57.85 55.32 2kb4 n ARG 87 Cb 0.68 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.93 2kb4 n ARG 87 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2kb4 n ARG 88 N 0.00 1.81 -0.11 5.56 0.00 -1.26 -4.83 116.66 117.83 2kb4 n ARG 88 Ca 0.00 0.66 -0.24 0.00 -0.00 0.00 0.00 57.85 58.27 2kb4 n ARG 88 Cb 0.00 -2.40 -0.11 0.00 -0.00 0.00 0.00 32.46 29.94 2kb4 n ARG 88 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2kb4 n HIS 89 N 4.17 0.73 -3.92 2.89 -0.00 0.10 -4.39 115.22 114.81 2kb4 n HIS 89 Ca 0.20 0.31 -0.12 0.00 0.46 0.00 0.00 57.72 58.57 2kb4 n HIS 89 Cb 0.25 -1.07 -0.13 0.00 -0.12 0.00 0.00 29.99 28.91 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 -2.41 0.07 -0.14 1.57 0.00 -1.05 -1.19 121.76 118.61 2kb4 s ALA 90 Ca -0.32 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2kb4 s ALA 90 Cb 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 2kb4 s ALA 90 CO 0.57 -0.03 -0.18 -1.21 0.00 0.00 0.00 175.76 174.91 2kb4 s GLU 91 N -0.40 3.19 -0.32 0.00 2.02 0.11 -0.28 118.70 123.01 2kb4 s GLU 91 Ca -0.04 -0.78 -0.07 0.00 0.02 0.00 0.00 54.97 54.10 2kb4 s GLU 91 Cb -0.03 -2.53 0.02 0.00 0.10 0.00 0.00 34.13 31.70 2kb4 s GLU 91 CO -0.00 0.09 0.10 -0.06 0.02 0.00 0.00 175.26 175.40 2kb4 s PHE 92 N 0.62 3.20 -0.12 1.61 0.40 0.10 -0.35 117.98 123.44 2kb4 s PHE 92 Ca -0.10 -1.19 0.02 0.00 -0.60 0.00 0.00 56.93 55.06 2kb4 s PHE 92 Cb -0.16 -2.27 0.01 0.00 0.51 0.00 0.00 43.02 41.11 2kb4 s PHE 92 CO 0.03 -0.65 -0.17 1.03 0.70 0.00 0.00 175.22 176.16 2kb4 s ARG 93 N 1.46 2.44 -0.18 0.44 0.52 0.13 -0.15 118.95 123.60 2kb4 s ARG 93 Ca 0.01 -0.64 -0.01 0.00 -0.52 0.00 0.00 55.73 54.57 2kb4 s ARG 93 Cb -0.18 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.23 2kb4 s ARG 93 CO 0.03 -0.07 -0.12 0.96 0.02 0.00 0.00 175.30 176.11 2kb4 s ILE 94 N 1.00 2.80 0.06 1.52 -5.25 -0.89 -0.83 121.20 119.61 2kb4 s ILE 94 Ca -0.05 -0.70 0.09 0.00 -0.99 0.00 0.00 60.65 59.00 2kb4 s ILE 94 Cb -0.15 -2.22 -0.03 0.00 2.95 0.00 0.00 42.46 43.01 2kb4 s ILE 94 CO -0.03 0.49 -0.25 0.21 -1.79 0.00 0.00 174.94 173.58 2kb4 s ASN 95 N 1.14 3.35 0.53 4.36 3.84 -0.73 -4.83 114.94 122.60 2kb4 s ASN 95 Ca 0.01 -0.58 0.25 0.00 0.21 0.00 0.00 52.86 52.75 2kb4 s ASN 95 Cb -0.14 -0.35 1.41 0.00 -0.55 0.00 0.00 41.25 41.61 2kb4 s ASN 95 CO -0.04 0.24 2.00 1.05 -2.79 0.00 0.00 177.10 177.56 2kb4 h GLU 96 N 4.55 0.00 0.08 0.43 4.11 -1.98 -2.61 114.58 119.17 2kb4 h GLU 96 Ca -0.48 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.83 2kb4 h GLU 96 Cb 1.15 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.41 2kb4 h GLU 96 CO 0.44 0.00 -0.54 0.78 0.07 0.00 0.00 179.01 179.76 2kb4 h GLY 97 N 0.00 0.20 -5.23 1.06 0.00 -2.03 -3.47 103.07 93.61 2kb4 h GLY 97 Ca 0.24 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 46.88 2kb4 h GLY 97 CO -0.00 0.46 -0.50 -0.54 0.00 0.00 0.00 176.54 175.95 2kb4 s GLU 98 N -2.35 0.29 -0.35 4.80 2.02 -0.98 -5.12 118.70 117.01 2kb4 s GLU 98 Ca -0.16 0.07 -0.17 0.00 0.02 0.00 0.00 54.97 54.74 2kb4 s GLU 98 Cb -0.00 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.35 2kb4 s GLU 98 CO 0.77 -0.05 0.43 -0.06 0.02 0.00 0.00 175.26 176.37 2kb4 s PHE 99 N -0.32 3.19 -0.21 1.61 0.08 -1.26 -1.77 117.98 119.31 2kb4 s PHE 99 Ca -0.04 0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.06 2kb4 s PHE 99 Cb -0.03 -2.79 0.03 0.00 -0.57 0.00 0.00 43.02 39.66 2kb4 s PHE 99 CO 0.01 -0.50 -0.16 -2.00 -0.10 0.00 0.00 175.22 172.47 2kb4 s GLU 100 N 2.18 2.73 -0.22 0.44 2.12 -0.01 -2.12 118.70 123.82 2kb4 s GLU 100 Ca 0.15 -1.02 -0.07 0.00 0.36 0.00 0.00 54.97 54.39 2kb4 s GLU 100 Cb -0.16 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 2kb4 s GLU 100 CO 0.12 -0.35 0.05 0.54 -0.54 0.00 0.00 175.26 175.09 2kb4 s VAL 101 N 1.23 4.39 -0.27 3.70 0.11 -0.00 -0.70 120.40 128.85 2kb4 s VAL 101 Ca -0.00 -0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 58.85 2kb4 s VAL 101 Cb -0.16 -3.01 0.02 0.00 -1.53 0.00 0.00 36.38 31.70 2kb4 s VAL 101 CO -0.10 0.40 0.01 -0.69 -3.33 0.00 0.00 175.10 171.39 2kb4 s VAL 102 N 1.06 3.44 -0.47 2.04 1.01 0.53 -0.50 120.40 127.50 2kb4 s VAL 102 Ca 0.04 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 60.91 2kb4 s VAL 102 Cb -0.14 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.50 2kb4 s VAL 102 CO 0.03 0.14 0.92 -1.81 0.00 0.00 0.00 175.10 174.37 2kb4 s ASP 103 N 1.41 6.48 -0.10 3.32 1.11 -0.05 -0.71 116.67 128.14 2kb4 s ASP 103 Ca 0.01 0.06 0.13 0.00 0.18 0.00 0.00 52.55 52.94 2kb4 s ASP 103 Cb -0.17 -2.45 0.25 0.00 1.07 0.00 0.00 42.92 41.62 2kb4 s ASP 103 CO -0.01 -1.06 1.15 1.33 1.18 0.00 0.00 175.17 177.77 2kb4 n VAL 104 N 6.39 1.66 -2.24 -1.27 0.24 -0.44 -4.38 118.33 118.30 2kb4 n VAL 104 Ca 0.06 -1.82 -0.30 0.00 -2.04 0.00 0.00 64.34 60.24 2kb4 n VAL 104 Cb 0.48 -0.01 0.02 0.00 -1.47 0.00 0.00 33.84 32.86 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 -0.96 5.93 0.28 7.63 0.00 -0.34 -4.74 105.19 112.99 2kb4 n GLY 105 Ca 0.12 -2.67 0.16 0.00 0.00 0.00 0.00 46.02 43.63 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kb4 h SER 106 N 2.61 0.00 -0.81 1.61 0.02 -1.87 -1.05 113.55 114.06 2kb4 h SER 106 Ca 0.39 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.37 2kb4 h SER 106 Cb 0.76 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.26 2kb4 h SER 106 CO 1.02 0.07 0.52 -0.07 -1.14 0.00 0.00 176.83 177.23 2kb4 h LEU 107 N 0.00 0.86 0.05 5.07 -0.00 -1.98 -2.67 115.31 116.63 2kb4 h LEU 107 Ca -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2kb4 h LEU 107 Cb 0.33 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2kb4 h LEU 107 CO 0.01 0.59 -0.02 0.78 -0.00 0.00 0.00 178.44 179.80 2kb4 h ASN 108 N 1.01 -0.05 0.00 -0.43 4.21 -1.75 -3.50 115.58 115.07 2kb4 h ASN 108 Ca 0.32 -0.60 0.00 0.00 1.21 0.00 0.00 56.30 57.23 2kb4 h ASN 108 Cb 0.00 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 2kb4 h ASN 108 CO -0.11 0.69 0.00 0.61 -1.29 0.00 0.00 177.43 177.33 2kb4 n GLY 109 N 1.21 2.52 3.61 2.83 0.00 -0.44 -4.70 105.19 110.22 2kb4 n GLY 109 Ca -0.08 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 2kb4 n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kb4 s THR 110 N 0.00 5.07 -0.02 2.61 -4.23 -1.24 -0.93 115.64 116.90 2kb4 s THR 110 Ca 0.00 0.77 0.07 0.00 -1.18 0.00 0.00 61.69 61.35 2kb4 s THR 110 Cb 0.00 -3.84 -0.02 0.00 1.34 0.00 0.00 72.50 69.98 2kb4 s THR 110 CO 0.00 0.04 -0.23 -0.31 -0.54 0.00 0.00 174.62 173.58 2kb4 s TYR 111 N 2.31 2.11 -0.35 3.99 2.02 0.21 -0.80 117.35 126.84 2kb4 s TYR 111 Ca 0.20 -0.43 -0.10 0.00 -0.37 0.00 0.00 57.07 56.37 2kb4 s TYR 111 Cb -0.16 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.06 2kb4 s TYR 111 CO 0.10 -0.06 0.18 0.54 -1.57 0.00 0.00 175.55 174.75 2kb4 s VAL 112 N -0.50 4.51 -1.41 0.71 0.11 0.12 -1.38 120.40 122.56 2kb4 s VAL 112 Ca 0.07 -0.76 -0.08 0.00 -2.93 0.00 0.00 61.98 58.29 2kb4 s VAL 112 Cb -0.09 -3.46 0.04 0.00 -1.53 0.00 0.00 36.38 31.34 2kb4 s VAL 112 CO -0.00 -0.15 0.58 0.59 -3.33 0.00 0.00 175.10 172.79 2kb4 n ASN 113 N 4.98 -4.85 0.00 3.54 3.02 -0.36 -1.35 115.26 120.24 2kb4 n ASN 113 Ca -0.12 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 2kb4 n ASN 113 Cb 0.47 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.69 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kb4 n ARG 114 N -3.94 0.00 -4.62 3.52 1.74 -1.26 -5.06 116.66 107.04 2kb4 n ARG 114 Ca -0.05 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.69 2kb4 n ARG 114 Cb 0.57 -2.15 -0.11 0.00 -1.02 0.00 0.00 32.46 29.75 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2kb4 s GLU 115 N -0.19 2.79 0.44 5.56 -1.05 -0.46 -4.97 118.70 120.82 2kb4 s GLU 115 Ca 0.00 -0.55 -0.26 0.00 -0.15 0.00 0.00 54.97 54.01 2kb4 s GLU 115 Cb 0.00 -2.60 -0.09 0.00 -0.44 0.00 0.00 34.13 31.00 2kb4 s GLU 115 CO 0.00 0.64 1.45 -2.14 0.95 0.00 0.00 175.26 176.16 2kb4 s PRO 116 N -0.75 3.74 0.14 -4.83 0.02 -1.26 0.14 135.00 132.20 2kb4 s PRO 116 Ca 0.11 2.47 -0.09 0.00 0.02 0.00 0.00 61.00 63.51 2kb4 s PRO 116 Cb -0.11 -2.70 -0.01 0.00 0.02 0.00 0.00 34.50 31.70 2kb4 s PRO 116 CO 0.02 -0.79 0.25 -0.98 -0.33 0.00 0.00 177.00 175.17 2kb4 s ARG 117 N -2.40 1.07 0.00 5.54 1.70 0.02 -4.78 118.95 120.11 2kb4 s ARG 117 Ca 0.60 -1.13 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 2kb4 s ARG 117 Cb -0.45 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.30 2kb4 s ARG 117 CO 0.58 -0.38 0.00 0.09 -1.08 0.00 0.00 175.30 174.51 2kb4 n ASN 118 N -0.17 3.00 -3.68 -2.89 4.13 -1.26 -4.60 115.26 109.79 2kb4 n ASN 118 Ca -0.09 -0.08 -0.13 0.00 1.68 0.00 0.00 54.58 55.96 2kb4 n ASN 118 Cb 0.63 0.76 -0.09 0.00 -1.54 0.00 0.00 39.78 39.54 2kb4 n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb4 s ALA 119 N -1.36 -1.38 0.01 5.41 0.00 -1.26 -0.87 121.76 122.31 2kb4 s ALA 119 Ca 0.00 1.63 -0.02 0.00 0.00 0.00 0.00 51.96 53.57 2kb4 s ALA 119 Cb 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 2kb4 s ALA 119 CO 0.00 -0.27 0.02 -1.14 0.00 0.00 0.00 175.76 174.37 2kb4 s GLN 120 N 0.50 0.34 -0.35 0.00 -0.44 0.34 -4.96 119.66 115.09 2kb4 s GLN 120 Ca -0.02 -0.50 -0.12 0.00 -2.50 0.00 0.00 55.36 52.22 2kb4 s GLN 120 Cb -0.04 0.13 -0.00 0.00 -1.64 0.00 0.00 33.01 31.46 2kb4 s GLN 120 CO -0.02 -0.07 0.22 0.54 0.50 0.00 0.00 175.29 176.46 2kb4 s VAL 121 N -1.34 4.99 -0.32 1.34 0.11 -1.26 -0.82 120.40 123.10 2kb4 s VAL 121 Ca -0.15 -0.44 -0.30 0.00 -2.93 0.00 0.00 61.98 58.17 2kb4 s VAL 121 Cb -0.09 -3.63 -0.13 0.00 -1.53 0.00 0.00 36.38 31.01 2kb4 s VAL 121 CO -0.00 -0.07 1.14 0.23 -3.33 0.00 0.00 175.10 173.06 2kb4 n MET 122 N 5.07 0.00 -4.73 1.54 0.00 -0.90 -4.98 117.12 113.12 2kb4 n MET 122 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.27 2kb4 n MET 122 Cb 0.49 -0.97 -0.14 0.00 0.00 0.00 0.00 33.22 32.60 2kb4 n MET 122 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2kb4 s GLN 123 N 2.53 1.87 -0.08 0.03 -0.21 -1.26 -4.97 119.66 117.56 2kb4 s GLN 123 Ca 0.71 -1.09 -0.20 0.00 0.02 0.00 0.00 55.36 54.80 2kb4 s GLN 123 Cb -0.97 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 2kb4 s GLN 123 CO 0.50 0.52 0.58 -0.08 -2.12 0.00 0.00 175.29 174.68 2kb4 s THR 124 N -0.89 5.09 0.00 -0.19 -1.32 -1.26 -3.69 115.64 113.38 2kb4 s THR 124 Ca 0.13 1.18 0.00 0.00 -1.21 0.00 0.00 61.69 61.79 2kb4 s THR 124 Cb -0.10 -3.92 0.00 0.00 -1.51 0.00 0.00 72.50 66.97 2kb4 s THR 124 CO 0.04 0.32 0.00 0.61 -2.21 0.00 0.00 174.62 173.38 2kb4 n GLY 125 N 3.05 0.83 3.87 6.08 0.00 0.22 -4.98 105.19 114.26 2kb4 n GLY 125 Ca -0.05 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.26 6.57 -0.17 1.61 2.15 -1.06 -4.90 116.67 118.61 2kb4 s ASP 126 Ca 0.00 0.67 -0.04 0.00 0.43 0.00 0.00 52.55 53.61 2kb4 s ASP 126 Cb 0.00 -2.14 -0.02 0.00 -0.30 0.00 0.00 42.92 40.46 2kb4 s ASP 126 CO 0.00 0.31 -0.03 -1.83 -0.17 0.00 0.00 175.17 173.44 2kb4 s GLU 127 N -1.39 3.61 -0.20 4.34 -1.05 -1.26 -0.23 118.70 122.51 2kb4 s GLU 127 Ca 0.24 -0.54 -0.06 0.00 -0.15 0.00 0.00 54.97 54.45 2kb4 s GLU 127 Cb -0.14 -2.96 -0.03 0.00 -0.44 0.00 0.00 34.13 30.56 2kb4 s GLU 127 CO 0.12 0.13 0.03 0.42 0.95 0.00 0.00 175.26 176.91 2kb4 s ILE 128 N 0.67 4.26 -0.35 1.83 1.01 0.49 -1.22 121.20 127.89 2kb4 s ILE 128 Ca -0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 2kb4 s ILE 128 Cb -0.14 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.41 2kb4 s ILE 128 CO 0.02 0.42 0.17 -1.58 0.00 0.00 0.00 174.94 173.97 2kb4 s GLN 129 N 0.90 2.95 -0.51 2.79 0.74 -0.48 -0.86 119.66 125.19 2kb4 s GLN 129 Ca 0.02 -0.99 -0.14 0.00 0.05 0.00 0.00 55.36 54.31 2kb4 s GLN 129 Cb -0.14 -3.62 0.12 0.00 1.10 0.00 0.00 33.01 30.46 2kb4 s GLN 129 CO 0.02 -0.60 0.43 0.96 -0.55 0.00 0.00 175.29 175.55 2kb4 s ILE 130 N 1.54 4.91 0.00 -2.34 -4.36 -0.86 -0.62 121.20 119.48 2kb4 s ILE 130 Ca 0.02 -1.50 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 2kb4 s ILE 130 Cb -0.18 -4.13 0.00 0.00 1.25 0.00 0.00 42.46 39.40 2kb4 s ILE 130 CO 0.06 -0.79 0.00 0.61 0.24 0.00 0.00 174.94 175.06 2kb4 n GLY 131 N 5.14 1.59 0.00 6.27 0.00 -0.10 -1.83 105.19 116.25 2kb4 n GLY 131 Ca -0.12 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.17 -3.98 1.61 4.81 -1.26 -4.80 118.16 114.70 2kb4 n LYS 132 Ca 0.00 -0.45 -0.34 0.00 -0.87 0.00 0.00 58.31 56.65 2kb4 n LYS 132 Cb 0.00 -0.70 -0.06 0.00 0.02 0.00 0.00 35.03 34.29 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 -0.14 3.47 -0.24 5.64 0.08 -0.76 -4.98 117.98 121.04 2kb4 s PHE 133 Ca 0.00 0.34 -0.07 0.00 0.12 0.00 0.00 56.93 57.32 2kb4 s PHE 133 Cb 0.00 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 2kb4 s PHE 133 CO 0.00 0.63 0.05 0.50 -0.10 0.00 0.00 175.22 176.30 2kb4 s ARG 134 N -1.64 3.64 0.01 0.44 3.00 -1.10 -2.02 118.95 121.28 2kb4 s ARG 134 Ca 0.23 -0.49 0.07 0.00 -1.00 0.00 0.00 55.73 54.54 2kb4 s ARG 134 Cb -0.12 -3.26 -0.02 0.00 0.00 0.00 0.00 34.95 31.55 2kb4 s ARG 134 CO 0.13 -0.14 -0.21 -1.17 0.00 0.00 0.00 175.30 173.91 2kb4 s LEU 135 N 1.47 2.10 -0.11 -0.88 2.96 -0.04 -2.74 118.68 121.44 2kb4 s LEU 135 Ca 0.06 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2kb4 s LEU 135 Cb -0.15 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 2kb4 s LEU 135 CO 0.03 0.22 -0.19 0.54 -1.32 0.00 0.00 176.35 175.63 2kb4 s VAL 136 N -0.65 2.55 -0.14 1.68 0.11 -0.18 -0.38 120.40 123.40 2kb4 s VAL 136 Ca 0.08 -0.85 -0.02 0.00 -2.93 0.00 0.00 61.98 58.26 2kb4 s VAL 136 Cb -0.09 -2.02 -0.02 0.00 -1.53 0.00 0.00 36.38 32.72 2kb4 s VAL 136 CO 0.01 0.54 -0.08 0.12 -3.33 0.00 0.00 175.10 172.36 2kb4 s PHE 137 N 0.29 2.92 0.33 1.54 5.36 0.67 -0.52 117.98 128.58 2kb4 s PHE 137 Ca -0.14 -0.45 0.04 0.00 -0.96 0.00 0.00 56.93 55.42 2kb4 s PHE 137 Cb -0.17 -1.90 -0.06 0.00 -0.34 0.00 0.00 43.02 40.55 2kb4 s PHE 137 CO 0.07 -0.11 0.06 -0.51 -1.46 0.00 0.00 175.22 173.27 2kb4 s LEU 138 N 0.32 2.19 0.52 6.12 2.01 0.20 -0.61 118.68 129.44 2kb4 s LEU 138 Ca -0.07 -1.38 -0.03 0.00 0.01 0.00 0.00 54.13 52.66 2kb4 s LEU 138 Cb -0.15 -0.39 0.00 0.00 0.01 0.00 0.00 46.19 45.67 2kb4 s LEU 138 CO 0.04 -0.61 0.79 0.00 1.01 0.00 0.00 176.35 177.58 2kb4 s ALA 139 N -3.28 3.52 0.24 4.21 0.00 -1.26 -0.52 121.76 124.67 2kb4 s ALA 139 Ca 0.36 -0.86 -0.24 0.00 0.00 0.00 0.00 51.96 51.22 2kb4 s ALA 139 Cb 0.09 -2.39 -0.09 0.00 0.00 0.00 0.00 23.12 20.73 2kb4 s ALA 139 CO 0.16 -0.60 0.83 0.20 0.00 0.00 0.00 175.76 176.35 2kb4 s GLY 140 N -4.26 2.80 -0.17 0.00 0.00 0.60 -4.30 107.32 101.98 2kb4 s GLY 140 Ca 0.51 0.37 -0.29 0.00 0.00 0.00 0.00 44.72 45.32 2kb4 s GLY 140 CO 0.42 0.82 1.27 -4.14 0.00 0.00 0.00 173.10 171.46 2kb4 s PRO 141 N -1.73 4.21 -0.34 2.90 0.02 -1.26 -4.84 135.00 133.96 2kb4 s PRO 141 Ca 0.43 1.64 -0.07 0.00 0.02 0.00 0.00 61.00 63.02 2kb4 s PRO 141 Cb -0.20 -3.78 0.04 0.00 0.02 0.00 0.00 34.50 30.59 2kb4 s PRO 141 CO 0.24 -0.74 0.11 0.00 -0.33 0.00 0.00 177.00 176.28 2kb4 s ALA 142 N 3.57 3.06 -1.89 -1.55 0.00 -1.26 -5.02 121.76 118.67 2kb4 s ALA 142 Ca 0.55 -1.74 0.15 0.00 0.00 0.00 0.00 51.96 50.92 2kb4 s ALA 142 Cb -0.21 -2.29 0.12 0.00 0.00 0.00 0.00 23.12 20.74 2kb4 s ALA 142 CO 0.15 -1.34 0.98 -0.85 0.00 0.00 0.00 175.76 174.71