#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 0.14 -3.57 7.83 0.02 -2.12 -3.44 113.55 112.42 2kb4 h SER 2 Ca 0.00 -0.14 -0.68 0.00 -0.84 0.00 0.00 61.79 60.13 2kb4 h SER 2 Cb 0.00 -0.04 -0.17 0.00 0.14 0.00 0.00 62.40 62.33 2kb4 h SER 2 CO 0.00 1.08 -0.69 -0.62 -1.14 0.00 0.00 176.83 175.47 2kb4 s ASP 3 N -6.85 4.75 -0.43 3.07 2.15 -1.26 -5.05 116.67 113.05 2kb4 s ASP 3 Ca -0.01 -0.07 -0.28 0.00 0.43 0.00 0.00 52.55 52.62 2kb4 s ASP 3 Cb 0.09 -1.17 -0.02 0.00 -0.30 0.00 0.00 42.92 41.53 2kb4 s ASP 3 CO 0.84 0.31 1.81 0.20 -0.17 0.00 0.00 175.17 178.15 2kb4 s ASN 4 N -1.25 5.69 -0.30 -0.34 0.01 -1.26 -4.91 114.94 112.58 2kb4 s ASN 4 Ca 0.16 0.96 -0.28 0.00 -0.71 0.00 0.00 52.86 52.99 2kb4 s ASN 4 Cb -0.11 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.00 2kb4 s ASN 4 CO 0.06 -1.93 1.82 0.21 -1.51 0.00 0.00 177.10 175.75 2kb4 s ASN 5 N 6.72 5.91 -0.53 -1.22 2.47 -1.26 -4.95 114.94 122.08 2kb4 s ASN 5 Ca 0.75 1.40 -0.20 0.00 0.42 0.00 0.00 52.86 55.24 2kb4 s ASN 5 Cb -0.19 -2.53 0.06 0.00 -1.45 0.00 0.00 41.25 37.15 2kb4 s ASN 5 CO 0.29 -1.68 0.68 -0.83 -3.72 0.00 0.00 177.10 171.84 2kb4 s GLY 6 N 6.08 1.73 -0.24 1.21 0.00 -1.26 -5.03 107.32 109.81 2kb4 s GLY 6 Ca 0.81 -1.77 -0.10 0.00 0.00 0.00 0.00 44.72 43.66 2kb4 s GLY 6 CO 0.34 1.56 0.13 -1.59 0.00 0.00 0.00 173.10 173.54 2kb4 s THR 7 N 2.81 5.09 0.46 0.90 2.01 -1.26 -5.07 115.64 120.57 2kb4 s THR 7 Ca 0.16 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.01 2kb4 s THR 7 Cb -0.19 -3.37 -0.07 0.00 0.01 0.00 0.00 72.50 68.88 2kb4 s THR 7 CO 0.12 0.35 1.25 -2.16 -0.69 0.00 0.00 174.62 173.49 2kb4 s PRO 8 N 1.12 3.67 0.29 4.92 0.04 -1.26 -4.96 135.00 138.81 2kb4 s PRO 8 Ca 0.06 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 2kb4 s PRO 8 Cb -0.14 -2.48 -0.10 0.00 0.04 0.00 0.00 34.50 31.83 2kb4 s PRO 8 CO 0.05 -0.69 1.24 -1.21 0.04 0.00 0.00 177.00 176.43 2kb4 s GLU 9 N -2.60 4.45 0.27 4.56 2.02 -1.26 -4.91 118.70 121.22 2kb4 s GLU 9 Ca 0.63 2.06 -0.31 0.00 0.02 0.00 0.00 54.97 57.37 2kb4 s GLU 9 Cb -0.34 -3.13 -0.12 0.00 0.10 0.00 0.00 34.13 30.63 2kb4 s GLU 9 CO 0.42 -0.08 1.56 -0.35 0.02 0.00 0.00 175.26 176.83 2kb4 n PRO 10 N 1.33 2.53 -1.91 0.39 -0.04 -1.26 -3.96 135.00 132.08 2kb4 n PRO 10 Ca 0.01 0.90 -0.02 0.00 -0.04 0.00 0.00 63.50 64.35 2kb4 n PRO 10 Cb 0.43 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 2kb4 n PRO 10 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2kb4 n GLN 11 N 2.36 -0.75 -4.07 0.54 -0.06 -1.26 -5.06 117.38 109.08 2kb4 n GLN 11 Ca 0.10 1.01 -0.35 0.00 -2.00 0.00 0.00 57.00 55.76 2kb4 n GLN 11 Cb 0.35 -2.78 -0.08 0.00 -4.06 0.00 0.00 30.24 23.67 2kb4 n GLN 11 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2kb4 s VAL 12 N -1.46 4.90 -0.08 1.69 0.11 -1.25 -5.08 120.40 119.22 2kb4 s VAL 12 Ca 0.07 -0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.92 2kb4 s VAL 12 Cb -0.02 -3.14 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 2kb4 s VAL 12 CO 0.24 0.56 0.54 -1.83 -3.33 0.00 0.00 175.10 171.28 2kb4 s GLU 13 N -0.51 4.33 0.33 1.54 1.03 -1.26 -5.06 118.70 119.11 2kb4 s GLU 13 Ca 0.10 0.59 -0.20 0.00 0.03 0.00 0.00 54.97 55.49 2kb4 s GLU 13 Cb -0.12 -3.41 -0.10 0.00 -0.80 0.00 0.00 34.13 29.71 2kb4 s GLU 13 CO 0.02 0.21 0.84 -0.08 -1.33 0.00 0.00 175.26 174.92 2kb4 s THR 14 N 0.40 4.46 -0.37 1.83 -1.32 -1.26 -5.01 115.64 114.38 2kb4 s THR 14 Ca 0.29 1.38 -0.25 0.00 -1.21 0.00 0.00 61.69 61.90 2kb4 s THR 14 Cb -0.16 -3.76 0.01 0.00 -1.51 0.00 0.00 72.50 67.08 2kb4 s THR 14 CO 0.13 -0.05 0.88 0.28 -2.21 0.00 0.00 174.62 173.66 2kb4 s THR 15 N -1.84 4.63 -0.39 5.08 -1.32 -1.26 -4.94 115.64 115.60 2kb4 s THR 15 Ca 0.53 1.10 0.02 0.00 -1.21 0.00 0.00 61.69 62.13 2kb4 s THR 15 Cb -0.13 -4.30 0.15 0.00 -1.51 0.00 0.00 72.50 66.71 2kb4 s THR 15 CO 0.19 -0.50 0.28 -0.44 -2.21 0.00 0.00 174.62 171.93 2kb4 s SER 16 N 1.86 2.40 0.06 8.08 0.01 -1.26 -5.10 113.70 119.75 2kb4 s SER 16 Ca 0.36 -2.64 -0.07 0.00 1.31 0.00 0.00 55.95 54.91 2kb4 s SER 16 Cb -0.12 -0.49 -0.01 0.00 0.21 0.00 0.00 66.02 65.61 2kb4 s SER 16 CO 0.18 -0.24 0.15 0.54 0.41 0.00 0.00 173.24 174.28 2kb4 s VAL 17 N 0.52 0.14 0.19 3.43 0.11 -1.26 -5.13 120.40 118.40 2kb4 s VAL 17 Ca 0.25 -1.16 -0.30 0.00 -2.93 0.00 0.00 61.98 57.84 2kb4 s VAL 17 Cb -0.11 -1.17 -0.08 0.00 -1.53 0.00 0.00 36.38 33.49 2kb4 s VAL 17 CO -0.08 -0.64 1.22 -0.36 -3.33 0.00 0.00 175.10 171.90 2kb4 s PHE 18 N -3.30 3.39 0.00 1.54 0.08 -1.26 -5.01 117.98 113.42 2kb4 s PHE 18 Ca 0.01 1.39 0.00 0.00 0.12 0.00 0.00 56.93 58.45 2kb4 s PHE 18 Cb 0.03 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 2kb4 s PHE 18 CO -0.08 -1.32 0.00 0.54 -0.10 0.00 0.00 175.22 174.26 2kb4 n ARG 19 N 2.47 3.88 -1.95 0.44 1.74 -1.26 -4.96 116.66 117.02 2kb4 n ARG 19 Ca 0.04 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 2kb4 n ARG 19 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 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 5.29 0.15 7.54 0.00 -1.26 -4.59 120.51 124.64 2kb4 n ALA 20 Ca 0.00 -3.97 0.03 0.00 0.00 0.00 0.00 53.44 49.50 2kb4 n ALA 20 Cb 0.00 -3.43 0.07 0.00 0.00 0.00 0.00 19.45 16.09 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 6.12 0.00 -4.65 0.00 5.19 -1.98 -3.49 116.42 117.61 2kb4 h ASP 21 Ca 0.52 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.93 2kb4 h ASP 21 Cb 0.66 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.13 2kb4 h ASP 21 CO 1.79 0.47 -0.98 -0.11 -3.12 0.00 0.00 179.24 177.28 2kb4 n LEU 22 N -3.25 -6.21 -4.08 1.55 -0.00 -1.26 -4.99 117.00 98.76 2kb4 n LEU 22 Ca 0.02 1.42 -0.35 0.00 -0.00 0.00 0.00 56.01 57.10 2kb4 n LEU 22 Cb 0.70 -2.86 -0.11 0.00 -0.00 0.00 0.00 43.42 41.16 2kb4 n LEU 22 CO 0.40 -2.83 -0.04 -0.22 -0.00 0.00 0.00 177.39 174.69 2kb4 s LEU 23 N -1.00 5.09 -0.29 -1.96 2.96 -1.26 -4.99 118.68 117.23 2kb4 s LEU 23 Ca -0.09 -2.70 -0.01 0.00 -0.22 0.00 0.00 54.13 51.11 2kb4 s LEU 23 Cb 0.01 -1.81 0.13 0.00 0.50 0.00 0.00 46.19 45.02 2kb4 s LEU 23 CO 0.63 -0.38 0.29 -0.54 -1.32 0.00 0.00 176.35 175.03 2kb4 s LYS 24 N 0.16 0.32 0.13 1.98 -0.14 -1.26 -5.14 119.74 115.78 2kb4 s LYS 24 Ca 0.15 -0.12 -0.00 0.00 -1.36 0.00 0.00 55.97 54.64 2kb4 s LYS 24 Cb -0.21 -0.67 -0.04 0.00 -1.68 0.00 0.00 37.83 35.22 2kb4 s LYS 24 CO -0.03 -1.01 0.03 -1.83 -0.76 0.00 0.00 175.35 171.75 2kb4 s GLU 25 N 2.36 0.91 0.05 1.68 -1.05 -1.26 -5.11 118.70 116.28 2kb4 s GLU 25 Ca 0.09 -1.42 -0.33 0.00 -0.15 0.00 0.00 54.97 53.16 2kb4 s GLU 25 Cb -0.14 0.14 -0.12 0.00 -0.44 0.00 0.00 34.13 33.57 2kb4 s GLU 25 CO -0.32 -0.21 1.77 -0.12 0.95 0.00 0.00 175.26 177.34 2kb4 n MET 26 N -0.09 2.33 -0.73 -4.83 0.00 -1.26 -4.99 117.12 107.55 2kb4 n MET 26 Ca -0.07 0.85 0.00 0.00 -0.00 0.00 0.00 57.70 58.48 2kb4 n MET 26 Cb 0.63 -2.68 0.00 0.00 0.00 0.00 0.00 33.22 31.17 2kb4 n MET 26 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2kb4 n GLU 27 N 5.37 2.03 -1.82 2.12 0.00 -1.26 -5.03 120.64 122.05 2kb4 n GLU 27 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.93 2kb4 n GLU 27 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.72 2kb4 n GLU 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2kb4 s SER 28 N -0.82 6.43 0.35 -1.84 0.15 -1.26 -4.97 113.70 111.73 2kb4 s SER 28 Ca 0.00 2.36 -0.17 0.00 0.70 0.00 0.00 55.95 58.84 2kb4 s SER 28 Cb 0.00 -2.53 -0.09 0.00 -1.71 0.00 0.00 66.02 61.69 2kb4 s SER 28 CO 0.00 -1.11 0.79 -0.44 1.20 0.00 0.00 173.24 173.68 2kb4 s SER 29 N 4.40 6.83 0.08 5.45 0.01 -1.26 -4.99 113.70 124.22 2kb4 s SER 29 Ca 0.83 1.39 -0.32 0.00 1.31 0.00 0.00 55.95 59.16 2kb4 s SER 29 Cb -0.37 -2.42 -0.11 0.00 0.21 0.00 0.00 66.02 63.33 2kb4 s SER 29 CO 0.36 -0.24 1.83 0.41 0.41 0.00 0.00 173.24 176.01 2kb4 n THR 30 N -0.40 0.40 -1.99 1.44 -1.04 -1.26 -4.87 114.28 106.56 2kb4 n THR 30 Ca 0.04 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 2kb4 n THR 30 Cb 0.53 -2.02 -0.03 0.00 -1.82 0.00 0.00 70.33 67.00 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 2.93 1.32 0.04 3.41 0.00 -1.26 -4.96 107.32 108.79 2kb4 s GLY 31 Ca 0.84 0.77 -0.26 0.00 0.00 0.00 0.00 44.72 46.08 2kb4 s GLY 31 CO 0.41 3.12 0.80 -1.59 0.00 0.00 0.00 173.10 175.83 2kb4 s THR 32 N 4.86 4.75 0.07 0.90 2.01 -1.26 -5.01 115.64 121.96 2kb4 s THR 32 Ca 0.76 1.70 -0.31 0.00 0.31 0.00 0.00 61.69 64.15 2kb4 s THR 32 Cb -0.31 -4.15 -0.08 0.00 0.01 0.00 0.00 72.50 67.98 2kb4 s THR 32 CO 0.31 0.33 1.53 0.00 -0.69 0.00 0.00 174.62 176.09 2kb4 s ALA 33 N 0.15 3.65 0.40 7.40 0.00 -1.26 -4.95 121.76 127.15 2kb4 s ALA 33 Ca 0.41 1.13 -0.27 0.00 0.00 0.00 0.00 51.96 53.22 2kb4 s ALA 33 Cb -0.21 -3.63 -0.10 0.00 0.00 0.00 0.00 23.12 19.19 2kb4 s ALA 33 CO 0.24 -0.92 1.45 -2.14 0.00 0.00 0.00 175.76 174.38 2kb4 s PRO 34 N 2.09 3.95 -1.28 0.00 0.02 -1.26 -4.91 135.00 133.61 2kb4 s PRO 34 Ca 0.69 2.48 -0.06 0.00 0.02 0.00 0.00 61.00 64.12 2kb4 s PRO 34 Cb -0.38 -2.84 0.15 0.00 0.02 0.00 0.00 34.50 31.46 2kb4 s PRO 34 CO 0.30 -0.63 2.17 0.00 -0.33 0.00 0.00 177.00 178.51 2kb4 n ALA 35 N 0.20 6.29 -3.20 -1.55 0.00 -1.26 -4.71 120.51 116.28 2kb4 n ALA 35 Ca 0.03 -4.21 -0.12 0.00 0.00 0.00 0.00 53.44 49.13 2kb4 n ALA 35 Cb 0.41 -2.78 0.01 0.00 0.00 0.00 0.00 19.45 17.09 2kb4 n ALA 35 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kb4 n SER 36 N 2.20 -6.98 -3.97 0.00 7.64 -1.26 -4.82 113.62 106.43 2kb4 n SER 36 Ca 0.53 -0.08 -0.08 0.00 1.01 0.00 0.00 58.87 60.26 2kb4 n SER 36 Cb 0.28 -4.16 -0.09 0.00 -1.01 0.00 0.00 64.21 59.24 2kb4 n SER 36 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kb4 s THR 37 N -2.68 0.18 0.00 0.44 -1.32 -1.26 -4.72 115.64 106.28 2kb4 s THR 37 Ca 0.12 -1.46 0.00 0.00 -1.21 0.00 0.00 61.69 59.14 2kb4 s THR 37 Cb -0.03 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.57 2kb4 s THR 37 CO 0.80 -0.81 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 2kb4 n GLY 38 N 0.07 4.13 0.19 6.08 0.00 -1.26 -4.80 105.19 109.60 2kb4 n GLY 38 Ca -0.15 -1.05 0.07 0.00 0.00 0.00 0.00 46.02 44.89 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 0.91 0.21 4.61 0.00 -1.88 -0.75 119.26 122.36 2kb4 h ALA 39 Ca 0.00 -0.30 -0.34 0.00 0.00 0.00 0.00 54.91 54.27 2kb4 h ALA 39 Cb 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.76 2kb4 h ALA 39 CO 0.00 0.41 -1.63 1.05 0.00 0.00 0.00 179.25 179.07 2kb4 h GLU 40 N 0.00 0.45 0.17 0.00 9.09 -1.92 -3.37 114.58 118.99 2kb4 h GLU 40 Ca -0.00 -0.77 -0.32 0.00 0.05 0.00 0.00 59.36 58.32 2kb4 h GLU 40 Cb 0.98 0.29 0.01 0.00 -1.65 0.00 0.00 28.75 28.38 2kb4 h GLU 40 CO 0.04 1.36 -1.53 -0.97 0.05 0.00 0.00 179.01 177.97 2kb4 h ASN 41 N 0.12 0.56 -3.70 3.06 -1.24 -1.86 -3.46 115.58 109.06 2kb4 h ASN 41 Ca -0.30 -0.70 -0.50 0.00 0.71 0.00 0.00 56.30 55.50 2kb4 h ASN 41 Cb 2.13 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 40.97 2kb4 h ASN 41 CO 0.22 1.57 0.17 -0.76 -1.29 0.00 0.00 177.43 177.34 2kb4 s LEU 42 N -7.22 4.26 0.00 0.34 1.02 -0.29 -4.95 118.68 111.84 2kb4 s LEU 42 Ca -0.10 1.50 0.00 0.00 0.02 0.00 0.00 54.13 55.55 2kb4 s LEU 42 Cb 0.06 -3.83 0.00 0.00 0.02 0.00 0.00 46.19 42.44 2kb4 s LEU 42 CO 0.88 -0.06 1.90 -2.65 0.02 0.00 0.00 176.35 176.44 2kb4 n PRO 43 N 0.39 0.98 -3.98 1.29 -0.02 -1.26 -4.77 135.00 127.63 2kb4 n PRO 43 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 2kb4 n PRO 43 Cb 0.51 -1.01 -0.14 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.05 2.69 -0.14 3.55 0.00 -1.26 -3.61 121.76 123.04 2kb4 s ALA 44 Ca 0.00 -1.65 0.15 0.00 0.00 0.00 0.00 51.96 50.46 2kb4 s ALA 44 Cb 0.00 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 2kb4 s ALA 44 CO 0.00 -1.08 1.22 0.78 0.00 0.00 0.00 175.76 176.68 2kb4 h GLY 45 N 7.94 0.00 -4.34 0.00 0.00 -1.86 -3.45 103.07 101.36 2kb4 h GLY 45 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.73 2kb4 h GLY 45 CO 0.53 0.00 -0.75 -0.56 0.00 0.00 0.00 176.54 175.76 2kb4 s SER 46 N -6.22 1.39 0.14 0.19 0.01 -1.26 -5.03 113.70 102.92 2kb4 s SER 46 Ca 0.01 -0.65 -0.04 0.00 1.31 0.00 0.00 55.95 56.58 2kb4 s SER 46 Cb 0.08 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 2kb4 s SER 46 CO 0.77 -0.16 0.13 0.00 0.41 0.00 0.00 173.24 174.39 2kb4 s ALA 47 N -1.63 0.50 0.13 1.44 0.00 -1.24 -4.71 121.76 116.26 2kb4 s ALA 47 Ca -0.02 -1.22 0.11 0.00 0.00 0.00 0.00 51.96 50.82 2kb4 s ALA 47 Cb -0.08 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 2kb4 s ALA 47 CO 0.01 -0.54 -0.25 -0.48 0.00 0.00 0.00 175.76 174.50 2kb4 s LEU 48 N -3.01 2.39 -0.08 0.00 -0.00 -0.53 0.02 118.68 117.47 2kb4 s LEU 48 Ca 0.20 -0.73 -0.00 0.00 -0.00 0.00 0.00 54.13 53.60 2kb4 s LEU 48 Cb 0.06 -1.26 -0.03 0.00 -0.00 0.00 0.00 46.19 44.96 2kb4 s LEU 48 CO 0.00 0.17 -0.05 -1.48 -0.00 0.00 0.00 176.35 174.99 2kb4 s LEU 49 N -2.13 3.24 -0.12 1.48 0.05 -0.90 -0.59 118.68 119.71 2kb4 s LEU 49 Ca 0.15 -0.01 -0.00 0.00 0.05 0.00 0.00 54.13 54.32 2kb4 s LEU 49 Cb -0.10 -1.72 -0.02 0.00 -2.05 0.00 0.00 46.19 42.30 2kb4 s LEU 49 CO 0.07 0.35 -0.11 0.68 -0.55 0.00 0.00 176.35 176.79 2kb4 s VAL 50 N -0.70 3.29 -0.36 1.48 -7.23 0.51 -2.24 120.40 115.15 2kb4 s VAL 50 Ca 0.11 -0.59 -0.20 0.00 -1.81 0.00 0.00 61.98 59.50 2kb4 s VAL 50 Cb -0.11 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.44 2kb4 s VAL 50 CO 0.02 0.53 0.59 -0.69 -0.31 0.00 0.00 175.10 175.24 2kb4 s VAL 51 N 0.15 4.93 0.02 1.32 1.01 -0.51 -0.99 120.40 126.34 2kb4 s VAL 51 Ca -0.05 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.41 2kb4 s VAL 51 Cb -0.15 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 31.95 2kb4 s VAL 51 CO 0.04 -0.30 0.92 0.50 0.00 0.00 0.00 175.10 176.27 2kb4 h LYS 52 N 8.50 0.10 -0.48 2.72 3.64 -1.52 -3.39 116.57 126.14 2kb4 h LYS 52 Ca -0.27 -0.18 0.20 0.00 -1.27 0.00 0.00 60.65 59.14 2kb4 h LYS 52 Cb 1.11 0.07 -0.21 0.00 -0.41 0.00 0.00 32.23 32.79 2kb4 h LYS 52 CO 0.82 0.91 0.02 0.50 -2.27 0.00 0.00 179.45 179.43 2kb4 s ARG 53 N -2.64 0.27 -0.30 1.90 6.06 -1.06 -5.03 118.95 118.16 2kb4 s ARG 53 Ca -0.05 0.46 -0.13 0.00 -2.50 0.00 0.00 55.73 53.51 2kb4 s ARG 53 Cb 0.08 0.25 0.17 0.00 0.06 0.00 0.00 34.95 35.51 2kb4 s ARG 53 CO 0.83 -0.32 0.94 0.20 -2.50 0.00 0.00 175.30 174.45 2kb4 s GLY 54 N 2.93 -0.32 0.18 8.12 0.00 -1.26 -0.98 107.32 115.99 2kb4 s GLY 54 Ca 0.06 2.86 0.07 0.00 0.00 0.00 0.00 44.72 47.71 2kb4 s GLY 54 CO -0.14 3.32 1.07 -1.05 0.00 0.00 0.00 173.10 176.30 2kb4 n PRO 55 N 5.13 0.05 0.15 2.90 -0.02 -1.26 -1.85 135.00 140.09 2kb4 n PRO 55 Ca -0.08 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2kb4 n PRO 55 Cb 0.52 -1.93 0.22 0.00 -0.02 0.00 0.00 33.50 32.29 2kb4 n PRO 55 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2kb4 h ASN 56 N 0.00 0.00 0.00 2.55 7.08 -1.81 -2.94 115.58 120.46 2kb4 h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2kb4 h ASN 56 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.78 2kb4 h ASN 56 CO 0.00 0.55 0.00 0.00 -2.08 0.00 0.00 177.43 175.90 2kb4 n ALA 57 N -2.41 0.00 0.00 4.14 0.00 -0.77 -4.37 120.51 117.10 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 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.64 0.09 0.00 0.00 -1.26 -4.57 105.19 98.80 2kb4 n GLY 58 Ca 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.03 -3.01 4.61 0.00 -1.26 -4.96 120.51 115.86 2kb4 n ALA 59 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 2kb4 n ALA 59 Cb 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 19.45 19.32 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 -2.01 1.09 -0.04 0.00 1.70 -1.26 -1.42 118.95 117.01 2kb4 s ARG 60 Ca 0.01 -0.35 -0.05 0.00 -0.47 0.00 0.00 55.73 54.86 2kb4 s ARG 60 Cb -0.00 -1.00 0.01 0.00 -0.57 0.00 0.00 34.95 33.39 2kb4 s ARG 60 CO 0.00 0.13 0.13 -0.59 -1.08 0.00 0.00 175.30 173.90 2kb4 s PHE 61 N 0.17 -0.11 0.04 5.89 -0.12 -0.95 -4.98 117.98 117.93 2kb4 s PHE 61 Ca -0.03 0.26 -0.30 0.00 -0.05 0.00 0.00 56.93 56.81 2kb4 s PHE 61 Cb -0.09 0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 2kb4 s PHE 61 CO 0.01 -0.10 1.13 -1.17 -0.05 0.00 0.00 175.22 175.04 2kb4 s LEU 62 N -0.17 4.37 -0.36 -1.99 2.96 -1.26 -2.11 118.68 120.11 2kb4 s LEU 62 Ca -0.02 1.90 -0.24 0.00 -0.22 0.00 0.00 54.13 55.55 2kb4 s LEU 62 Cb -0.02 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.10 2kb4 s LEU 62 CO 0.00 -0.41 0.80 -0.76 -1.32 0.00 0.00 176.35 174.67 2kb4 s LEU 63 N 1.08 4.11 -0.22 -0.68 1.43 0.10 -4.74 118.68 119.76 2kb4 s LEU 63 Ca 0.57 0.40 0.17 0.00 -1.03 0.00 0.00 54.13 54.23 2kb4 s LEU 63 Cb -0.27 -3.06 0.39 0.00 0.03 0.00 0.00 46.19 43.28 2kb4 s LEU 63 CO 0.29 -0.75 1.26 -0.67 0.23 0.00 0.00 176.35 176.71 2kb4 n ASP 64 N 6.46 0.04 -3.89 2.29 2.03 -1.26 -3.62 116.55 118.59 2kb4 n ASP 64 Ca 0.04 -2.09 -0.21 0.00 0.52 0.00 0.00 54.79 53.05 2kb4 n ASP 64 Cb 0.48 0.08 -0.16 0.00 -0.72 0.00 0.00 41.12 40.79 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2kb4 s GLN 65 N -1.33 0.88 0.18 -0.67 0.74 -1.26 -5.06 119.66 113.14 2kb4 s GLN 65 Ca 0.18 -0.11 -0.23 0.00 0.05 0.00 0.00 55.36 55.24 2kb4 s GLN 65 Cb 0.33 -0.90 0.07 0.00 1.10 0.00 0.00 33.01 33.61 2kb4 s GLN 65 CO -0.08 -0.10 1.58 -1.35 -0.55 0.00 0.00 175.29 174.79 2kb4 h PRO 66 N 7.28 -0.20 -3.01 1.67 0.10 -1.91 -3.37 132.00 132.56 2kb4 h PRO 66 Ca -0.36 0.01 -0.55 0.00 0.10 0.00 0.00 66.00 65.20 2kb4 h PRO 66 Cb 1.15 0.05 -0.40 0.00 0.10 0.00 0.00 31.00 31.90 2kb4 h PRO 66 CO 0.45 -0.13 -0.78 0.99 0.10 0.00 0.00 178.00 178.63 2kb4 s THR 67 N -5.91 0.29 -0.41 -1.15 2.01 -1.26 -1.97 115.64 107.24 2kb4 s THR 67 Ca -0.14 -1.10 -0.29 0.00 0.31 0.00 0.00 61.69 60.47 2kb4 s THR 67 Cb 0.14 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.44 2kb4 s THR 67 CO 0.67 -0.74 1.09 -0.89 -0.69 0.00 0.00 174.62 174.06 2kb4 s THR 68 N 1.80 4.36 -0.17 -0.82 2.01 0.99 -4.88 115.64 118.92 2kb4 s THR 68 Ca 0.10 1.40 -0.04 0.00 0.31 0.00 0.00 61.69 63.46 2kb4 s THR 68 Cb -0.17 -4.50 -0.03 0.00 0.01 0.00 0.00 72.50 67.81 2kb4 s THR 68 CO -0.29 -0.76 -0.02 -0.89 -0.69 0.00 0.00 174.62 171.97 2kb4 s THR 69 N 4.04 3.95 -0.25 -0.82 2.01 -1.26 -0.28 115.64 123.02 2kb4 s THR 69 Ca 0.46 -0.33 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 2kb4 s THR 69 Cb -0.10 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 2kb4 s THR 69 CO 0.24 0.47 0.09 0.00 -0.69 0.00 0.00 174.62 174.73 2kb4 s ALA 70 N 0.59 3.23 0.00 7.40 0.00 0.32 -0.31 121.76 133.00 2kb4 s ALA 70 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2kb4 s ALA 70 Cb -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.82 2kb4 s ALA 70 CO 0.02 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2kb4 n GLY 71 N 4.95 -0.45 2.80 0.00 0.00 -0.85 -1.67 105.19 109.96 2kb4 n GLY 71 Ca -0.16 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 0.90 0.19 1.61 3.52 0.74 -4.17 118.95 121.74 2kb4 s ARG 72 Ca 0.00 -1.03 0.00 0.00 -0.13 0.00 0.00 55.73 54.58 2kb4 s ARG 72 Cb 0.00 -0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 32.96 2kb4 s ARG 72 CO 0.00 -1.28 0.07 -1.01 -0.81 0.00 0.00 175.30 172.26 2kb4 s HIS 73 N 1.06 1.18 0.64 5.12 3.76 -1.26 -4.75 115.29 121.05 2kb4 s HIS 73 Ca 0.25 -1.20 0.40 0.00 -0.15 0.00 0.00 55.06 54.37 2kb4 s HIS 73 Cb -0.03 -0.65 2.26 0.00 1.11 0.00 0.00 32.58 35.26 2kb4 s HIS 73 CO -0.07 -0.42 2.34 -1.00 -0.85 0.00 0.00 174.74 174.74 2kb4 h PRO 74 N 2.65 0.00 -3.16 8.40 0.13 -2.00 -3.15 132.00 134.88 2kb4 h PRO 74 Ca -0.36 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.08 2kb4 h PRO 74 Cb 1.22 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.98 2kb4 h PRO 74 CO 0.59 0.00 -0.17 0.39 -0.23 0.00 0.00 178.00 178.58 2kb4 n GLU 75 N -3.31 2.59 -4.01 0.86 -0.58 -1.26 -5.02 120.64 109.91 2kb4 n GLU 75 Ca -0.03 -4.50 -0.09 0.00 -0.42 0.00 0.00 57.16 52.11 2kb4 n GLU 75 Cb 0.07 -2.38 -0.11 0.00 -0.57 0.00 0.00 31.44 28.45 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2kb4 s SER 76 N -0.68 0.38 -0.21 1.62 0.01 -1.19 -4.60 113.70 109.03 2kb4 s SER 76 Ca 0.28 -0.58 -0.07 0.00 1.31 0.00 0.00 55.95 56.89 2kb4 s SER 76 Cb -0.04 0.10 -0.11 0.00 0.21 0.00 0.00 66.02 66.19 2kb4 s SER 76 CO -0.11 -0.33 -0.25 -0.67 0.41 0.00 0.00 173.24 172.29 2kb4 n ASP 77 N 1.35 1.81 -4.18 2.44 -0.08 0.58 -4.87 116.55 113.60 2kb4 n ASP 77 Ca -0.22 0.15 -0.14 0.00 -1.51 0.00 0.00 54.79 53.07 2kb4 n ASP 77 Cb 0.56 -0.54 -0.11 0.00 2.34 0.00 0.00 41.12 43.37 2kb4 n ASP 77 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2kb4 s ILE 78 N -2.40 0.92 -0.06 5.18 -4.36 -1.20 -5.05 121.20 114.23 2kb4 s ILE 78 Ca -0.30 -1.69 0.06 0.00 -0.26 0.00 0.00 60.65 58.47 2kb4 s ILE 78 Cb 0.10 -1.41 -0.01 0.00 1.25 0.00 0.00 42.46 42.40 2kb4 s ILE 78 CO 0.41 -0.60 -0.25 0.72 0.24 0.00 0.00 174.94 175.46 2kb4 s PHE 79 N -2.60 2.40 -0.53 1.37 -0.71 -1.26 -2.00 117.98 114.65 2kb4 s PHE 79 Ca 0.06 -0.71 -0.28 0.00 -1.04 0.00 0.00 56.93 54.97 2kb4 s PHE 79 Cb -0.02 -1.57 0.01 0.00 -1.21 0.00 0.00 43.02 40.23 2kb4 s PHE 79 CO -0.00 -0.21 1.45 -0.51 -1.34 0.00 0.00 175.22 174.61 2kb4 s LEU 80 N -0.17 3.44 -1.41 -1.99 1.02 -1.26 -4.60 118.68 113.71 2kb4 s LEU 80 Ca -0.03 0.43 -0.08 0.00 0.02 0.00 0.00 54.13 54.47 2kb4 s LEU 80 Cb -0.14 -3.14 0.07 0.00 0.02 0.00 0.00 46.19 43.00 2kb4 s LEU 80 CO 0.03 -1.69 2.40 -0.67 0.02 0.00 0.00 176.35 176.44 2kb4 n ASP 81 N 9.61 7.06 -4.10 2.29 2.03 -1.11 -4.70 116.55 127.63 2kb4 n ASP 81 Ca 0.14 -2.96 -0.10 0.00 0.52 0.00 0.00 54.79 52.39 2kb4 n ASP 81 Cb 0.49 -1.47 -0.09 0.00 -0.72 0.00 0.00 41.12 39.33 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kb4 s ASP 82 N 1.27 0.13 0.31 1.67 2.15 -1.26 -4.61 116.67 116.33 2kb4 s ASP 82 Ca 0.54 -1.14 0.04 0.00 0.43 0.00 0.00 52.55 52.42 2kb4 s ASP 82 Cb 0.16 0.40 0.51 0.00 -0.30 0.00 0.00 42.92 43.69 2kb4 s ASP 82 CO -0.06 -0.87 1.78 -0.37 -0.17 0.00 0.00 175.17 175.48 2kb4 h VAL 83 N 2.61 1.24 -1.71 1.11 -1.51 -2.01 -3.32 116.25 112.66 2kb4 h VAL 83 Ca -0.33 -1.13 -0.76 0.00 -1.23 0.00 0.00 66.70 63.25 2kb4 h VAL 83 Cb 1.23 1.29 -0.17 0.00 -2.13 0.00 0.00 31.29 31.51 2kb4 h VAL 83 CO 0.51 0.36 1.76 0.35 -1.23 0.00 0.00 177.57 179.31 2kb4 n THR 84 N -4.16 4.43 -3.90 7.19 -2.24 -1.26 -4.91 114.28 109.43 2kb4 n THR 84 Ca -0.00 -4.62 -0.35 0.00 -2.27 0.00 0.00 64.05 56.80 2kb4 n THR 84 Cb 0.36 -2.36 -0.14 0.00 -2.10 0.00 0.00 70.33 66.10 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kb4 s VAL 85 N 0.29 3.14 0.16 2.28 0.11 -1.25 -5.01 120.40 120.12 2kb4 s VAL 85 Ca 0.39 -1.07 -0.09 0.00 -2.93 0.00 0.00 61.98 58.28 2kb4 s VAL 85 Cb 0.06 -2.67 -0.06 0.00 -1.53 0.00 0.00 36.38 32.18 2kb4 s VAL 85 CO 0.01 0.07 0.47 -0.44 -3.33 0.00 0.00 175.10 171.88 2kb4 s SER 86 N 1.34 6.62 0.46 3.54 0.01 -1.26 -4.97 113.70 119.44 2kb4 s SER 86 Ca -0.01 0.82 0.26 0.00 1.31 0.00 0.00 55.95 58.33 2kb4 s SER 86 Cb -0.18 -2.18 0.88 0.00 0.21 0.00 0.00 66.02 64.75 2kb4 s SER 86 CO -0.02 0.04 1.80 0.08 0.41 0.00 0.00 173.24 175.56 2kb4 h ARG 87 N 3.02 0.00 -4.21 12.44 0.11 -1.90 -3.29 114.38 120.55 2kb4 h ARG 87 Ca -0.47 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 58.96 2kb4 h ARG 87 Cb 1.18 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.85 2kb4 h ARG 87 CO 0.69 0.13 -0.71 -0.98 0.10 0.00 0.00 179.97 179.20 2kb4 s ARG 88 N -3.51 1.44 -0.12 0.08 1.70 -1.26 -0.19 118.95 117.09 2kb4 s ARG 88 Ca 0.02 -1.90 -0.08 0.00 -0.47 0.00 0.00 55.73 53.31 2kb4 s ARG 88 Cb 0.09 -3.00 -0.05 0.00 -0.57 0.00 0.00 34.95 31.41 2kb4 s ARG 88 CO 0.62 -0.99 -0.18 1.58 -1.08 0.00 0.00 175.30 175.25 2kb4 n HIS 89 N 4.10 0.00 -3.75 5.89 -0.00 -0.67 -4.32 115.22 116.47 2kb4 n HIS 89 Ca 0.04 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.09 2kb4 n HIS 89 Cb 0.40 -0.46 -0.13 0.00 -0.12 0.00 0.00 29.99 29.68 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 -2.31 -0.41 -0.15 1.57 0.00 -0.99 -0.70 121.76 118.76 2kb4 s ALA 90 Ca -0.19 0.77 -0.00 0.00 0.00 0.00 0.00 51.96 52.54 2kb4 s ALA 90 Cb 0.06 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 2kb4 s ALA 90 CO 0.25 -0.16 -0.13 -1.21 0.00 0.00 0.00 175.76 174.51 2kb4 s GLU 91 N 1.00 3.31 -0.27 0.00 2.02 -1.08 -0.52 118.70 123.15 2kb4 s GLU 91 Ca -0.07 -0.71 -0.03 0.00 0.02 0.00 0.00 54.97 54.18 2kb4 s GLU 91 Cb -0.09 -2.67 0.03 0.00 0.10 0.00 0.00 34.13 31.50 2kb4 s GLU 91 CO -0.06 0.08 -0.01 -0.06 0.02 0.00 0.00 175.26 175.23 2kb4 s PHE 92 N 0.68 3.14 0.15 1.61 0.40 0.61 -1.35 117.98 123.23 2kb4 s PHE 92 Ca -0.07 -1.54 0.09 0.00 -0.60 0.00 0.00 56.93 54.82 2kb4 s PHE 92 Cb -0.15 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 2kb4 s PHE 92 CO 0.02 -0.72 -0.13 1.03 0.70 0.00 0.00 175.22 176.11 2kb4 s ARG 93 N 1.34 1.94 -0.24 0.44 0.52 0.86 -0.01 118.95 123.81 2kb4 s ARG 93 Ca -0.01 -1.24 -0.03 0.00 -0.52 0.00 0.00 55.73 53.93 2kb4 s ARG 93 Cb -0.18 -2.14 0.01 0.00 0.52 0.00 0.00 34.95 33.17 2kb4 s ARG 93 CO -0.02 0.45 -0.05 0.96 0.02 0.00 0.00 175.30 176.66 2kb4 s ILE 94 N -1.49 3.08 0.03 1.52 -5.25 -0.83 -0.98 121.20 117.28 2kb4 s ILE 94 Ca 0.22 -0.81 0.00 0.00 -0.99 0.00 0.00 60.65 59.07 2kb4 s ILE 94 Cb -0.09 -2.50 -0.04 0.00 2.95 0.00 0.00 42.46 42.78 2kb4 s ILE 94 CO 0.13 0.28 0.12 0.21 -1.79 0.00 0.00 174.94 173.90 2kb4 s ASN 95 N 1.39 5.89 0.47 4.36 3.84 -0.00 -4.83 114.94 126.06 2kb4 s ASN 95 Ca 0.03 0.16 0.26 0.00 0.21 0.00 0.00 52.86 53.52 2kb4 s ASN 95 Cb -0.16 -1.72 1.31 0.00 -0.55 0.00 0.00 41.25 40.13 2kb4 s ASN 95 CO -0.04 0.22 1.82 1.05 -2.79 0.00 0.00 177.10 177.37 2kb4 h GLU 96 N 3.64 0.19 0.07 0.43 4.11 -2.00 -2.75 114.58 118.27 2kb4 h GLU 96 Ca -0.48 -0.01 -0.37 0.00 0.07 0.00 0.00 59.36 58.57 2kb4 h GLU 96 Cb 1.17 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2kb4 h GLU 96 CO 0.67 0.13 -2.17 0.41 0.07 0.00 0.00 179.01 178.12 2kb4 n GLY 97 N -1.62 -0.49 3.52 1.06 0.00 -1.26 -5.06 105.19 101.35 2kb4 n GLY 97 Ca 0.23 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.53 1.95 -0.17 1.61 1.03 -1.04 -4.65 118.70 114.90 2kb4 s GLU 98 Ca -0.28 -1.72 -0.17 0.00 0.03 0.00 0.00 54.97 52.83 2kb4 s GLU 98 Cb 0.08 0.46 -0.04 0.00 -0.80 0.00 0.00 34.13 33.83 2kb4 s GLU 98 CO 0.69 -0.82 0.43 -0.06 -1.33 0.00 0.00 175.26 174.17 2kb4 s PHE 99 N -2.98 3.43 -0.08 4.83 0.08 -1.26 -0.82 117.98 121.17 2kb4 s PHE 99 Ca 0.29 0.72 0.04 0.00 0.12 0.00 0.00 56.93 58.10 2kb4 s PHE 99 Cb -0.01 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.91 2kb4 s PHE 99 CO 0.19 0.06 -0.20 -2.00 -0.10 0.00 0.00 175.22 173.17 2kb4 s GLU 100 N 1.05 2.52 -0.09 0.44 2.12 -0.15 -0.10 118.70 124.49 2kb4 s GLU 100 Ca 0.22 -0.72 0.04 0.00 0.36 0.00 0.00 54.97 54.86 2kb4 s GLU 100 Cb -0.15 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.27 2kb4 s GLU 100 CO 0.08 0.15 -0.22 0.54 -0.54 0.00 0.00 175.26 175.28 2kb4 s VAL 101 N 0.38 1.90 -0.13 3.70 0.11 -0.12 -0.10 120.40 126.14 2kb4 s VAL 101 Ca -0.15 -0.93 0.02 0.00 -2.93 0.00 0.00 61.98 57.98 2kb4 s VAL 101 Cb -0.17 -1.64 -0.00 0.00 -1.53 0.00 0.00 36.38 33.04 2kb4 s VAL 101 CO 0.07 0.52 -0.19 0.68 -3.33 0.00 0.00 175.10 172.85 2kb4 s VAL 102 N 0.30 2.43 -0.36 2.04 -7.23 -0.46 -1.18 120.40 115.93 2kb4 s VAL 102 Ca -0.15 -0.87 -0.26 0.00 -1.81 0.00 0.00 61.98 58.89 2kb4 s VAL 102 Cb -0.17 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 34.80 2kb4 s VAL 102 CO 0.07 0.54 0.93 -0.62 -0.31 0.00 0.00 175.10 175.71 2kb4 s ASP 103 N 0.54 6.69 0.00 4.85 2.15 0.09 -2.64 116.67 128.35 2kb4 s ASP 103 Ca -0.12 0.61 0.00 0.00 0.43 0.00 0.00 52.55 53.48 2kb4 s ASP 103 Cb -0.16 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2kb4 s ASP 103 CO 0.04 -0.86 0.60 1.33 -0.17 0.00 0.00 175.17 176.12 2kb4 n VAL 104 N 5.97 0.28 -2.37 1.11 0.24 -1.21 -4.77 118.33 117.58 2kb4 n VAL 104 Ca 0.07 -0.58 -0.34 0.00 -2.04 0.00 0.00 64.34 61.45 2kb4 n VAL 104 Cb 0.48 0.94 0.01 0.00 -1.47 0.00 0.00 33.84 33.80 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb4 n GLY 105 N -0.14 5.80 0.00 7.63 0.00 0.12 -4.71 105.19 113.89 2kb4 n GLY 105 Ca 0.00 -2.63 0.04 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.39 0.00 -0.07 1.61 3.41 -1.26 -0.48 113.62 116.43 2kb4 n SER 106 Ca 0.45 -0.03 -0.00 0.00 -0.26 0.00 0.00 58.87 59.02 2kb4 n SER 106 Cb 0.39 -0.14 0.27 0.00 -0.26 0.00 0.00 64.21 64.47 2kb4 n SER 106 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2kb4 h LEU 107 N 0.00 0.63 0.00 1.04 -0.00 -1.97 -3.33 115.31 111.68 2kb4 h LEU 107 Ca 0.00 -0.09 -0.12 0.00 -0.00 0.00 0.00 57.88 57.67 2kb4 h LEU 107 Cb 0.03 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.51 2kb4 h LEU 107 CO 0.00 0.61 -1.42 0.59 -0.00 0.00 0.00 178.44 178.21 2kb4 n ASN 108 N -4.32 1.72 -0.13 -0.43 4.13 -0.51 -5.11 115.26 110.61 2kb4 n ASN 108 Ca 0.03 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.33 2kb4 n ASN 108 Cb 0.18 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2kb4 n ASN 108 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kb4 n GLY 109 N 2.78 -0.04 3.66 7.41 0.00 0.37 -4.67 105.19 114.70 2kb4 n GLY 109 Ca -0.14 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.03 4.62 -0.15 2.61 2.01 -1.26 -3.82 115.64 119.62 2kb4 s THR 110 Ca 0.00 1.95 -0.06 0.00 0.31 0.00 0.00 61.69 63.89 2kb4 s THR 110 Cb 0.00 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2kb4 s THR 110 CO 0.00 -0.21 0.07 -0.31 -0.69 0.00 0.00 174.62 173.47 2kb4 s TYR 111 N 3.29 3.32 -0.22 4.92 2.02 0.10 -2.63 117.35 128.15 2kb4 s TYR 111 Ca 0.45 0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 57.35 2kb4 s TYR 111 Cb -0.15 -1.99 0.02 0.00 -0.40 0.00 0.00 41.96 39.44 2kb4 s TYR 111 CO 0.08 0.36 -0.10 0.08 -1.57 0.00 0.00 175.55 174.40 2kb4 s VAL 112 N -0.23 2.74 -1.69 0.71 1.01 0.81 -0.20 120.40 123.56 2kb4 s VAL 112 Ca 0.08 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2kb4 s VAL 112 Cb -0.12 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2kb4 s VAL 112 CO 0.01 0.36 0.20 -3.20 0.00 0.00 0.00 175.10 172.47 2kb4 n ASN 113 N 4.68 -5.90 0.00 3.32 2.85 -0.34 -1.17 115.26 118.71 2kb4 n ASN 113 Ca -0.18 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.19 2kb4 n ASN 113 Cb 0.49 -4.87 0.00 0.00 1.24 0.00 0.00 39.78 36.64 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kb4 n ARG 114 N -3.34 -0.28 -4.03 1.20 1.74 -1.26 -5.02 116.66 105.67 2kb4 n ARG 114 Ca -0.20 0.07 -0.35 0.00 -0.77 0.00 0.00 57.85 56.60 2kb4 n ARG 114 Cb 0.66 -3.31 -0.08 0.00 -1.02 0.00 0.00 32.46 28.71 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kb4 s GLU 115 N -0.42 3.63 -0.11 5.56 2.02 -0.31 -4.95 118.70 124.12 2kb4 s GLU 115 Ca 0.00 -0.29 -0.29 0.00 0.02 0.00 0.00 54.97 54.41 2kb4 s GLU 115 Cb 0.00 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 2kb4 s GLU 115 CO 0.00 0.51 1.54 -2.14 0.02 0.00 0.00 175.26 175.19 2kb4 s PRO 116 N -0.30 4.14 -0.09 0.39 0.02 -1.26 -0.13 135.00 137.77 2kb4 s PRO 116 Ca 0.09 1.96 0.03 0.00 0.02 0.00 0.00 61.00 63.11 2kb4 s PRO 116 Cb -0.12 -3.93 0.01 0.00 0.02 0.00 0.00 34.50 30.48 2kb4 s PRO 116 CO 0.01 -0.87 -0.19 1.03 -0.33 0.00 0.00 177.00 176.65 2kb4 s ARG 117 N 3.97 2.53 0.11 5.54 1.81 -1.08 -4.95 118.95 126.89 2kb4 s ARG 117 Ca 0.68 -0.70 -0.14 0.00 -1.72 0.00 0.00 55.73 53.85 2kb4 s ARG 117 Cb -0.29 -1.96 -0.07 0.00 -0.45 0.00 0.00 34.95 32.18 2kb4 s ARG 117 CO 0.25 0.12 1.44 -2.95 -0.68 0.00 0.00 175.30 173.48 2kb4 h ASN 118 N 6.81 0.80 -3.73 0.23 7.08 -1.92 -3.41 115.58 121.45 2kb4 h ASN 118 Ca -0.24 -0.46 -0.19 0.00 -3.08 0.00 0.00 56.30 52.33 2kb4 h ASN 118 Cb 1.22 -0.23 -0.27 0.00 -2.08 0.00 0.00 38.32 36.96 2kb4 h ASN 118 CO 0.47 1.10 -0.53 0.00 -2.08 0.00 0.00 177.43 176.39 2kb4 s ALA 119 N -4.39 -0.40 0.01 4.14 0.00 -1.26 -0.73 121.76 119.12 2kb4 s ALA 119 Ca -0.12 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.34 2kb4 s ALA 119 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 2kb4 s ALA 119 CO 0.84 -0.09 0.02 -1.14 0.00 0.00 0.00 175.76 175.39 2kb4 s GLN 120 N 0.27 0.33 -0.21 0.00 2.00 -0.33 -5.01 119.66 116.71 2kb4 s GLN 120 Ca -0.01 -0.48 -0.29 0.00 -2.00 0.00 0.00 55.36 52.58 2kb4 s GLN 120 Cb -0.03 0.13 0.01 0.00 0.80 0.00 0.00 33.01 33.91 2kb4 s GLN 120 CO -0.01 -0.06 1.02 0.08 -0.50 0.00 0.00 175.29 175.81 2kb4 s VAL 121 N -1.28 4.71 0.35 1.34 1.01 -1.26 -0.94 120.40 124.33 2kb4 s VAL 121 Ca -0.14 1.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.54 2kb4 s VAL 121 Cb -0.08 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 31.89 2kb4 s VAL 121 CO -0.00 -0.14 1.52 -0.04 0.00 0.00 0.00 175.10 176.44 2kb4 s MET 122 N 2.98 4.11 -0.23 2.72 1.00 0.85 -4.94 119.30 125.79 2kb4 s MET 122 Ca 0.44 2.58 -0.08 0.00 0.00 0.00 0.00 55.69 58.63 2kb4 s MET 122 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 34.83 31.66 2kb4 s MET 122 CO 0.08 -0.57 0.10 -1.14 0.00 0.00 0.00 175.02 173.49 2kb4 s GLN 123 N -1.66 3.84 -0.29 2.03 2.00 -1.26 -4.74 119.66 119.58 2kb4 s GLN 123 Ca 0.56 -0.39 -0.26 0.00 -2.00 0.00 0.00 55.36 53.26 2kb4 s GLN 123 Cb -0.47 -3.37 0.01 0.00 0.80 0.00 0.00 33.01 29.98 2kb4 s GLN 123 CO 0.59 -0.02 0.93 0.95 -0.50 0.00 0.00 175.29 177.23 2kb4 s THR 124 N 1.21 4.69 0.00 -0.34 -4.23 -1.26 -3.24 115.64 112.47 2kb4 s THR 124 Ca 0.05 1.54 0.00 0.00 -1.18 0.00 0.00 61.69 62.10 2kb4 s THR 124 Cb -0.14 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.44 2kb4 s THR 124 CO 0.04 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 2kb4 n GLY 125 N 3.91 0.88 1.88 3.99 0.00 0.16 -4.26 105.19 111.76 2kb4 n GLY 125 Ca 0.08 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.15 0.80 -4.60 1.61 -0.08 -1.20 -4.97 116.55 108.27 2kb4 n ASP 126 Ca 0.00 -2.23 -0.30 0.00 -1.51 0.00 0.00 54.79 50.74 2kb4 n ASP 126 Cb 0.00 0.66 -0.10 0.00 2.34 0.00 0.00 41.12 44.02 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 -2.86 2.25 -0.19 -0.67 -1.05 -1.26 -2.38 118.70 112.55 2kb4 s GLU 127 Ca 0.14 -0.95 0.01 0.00 -0.15 0.00 0.00 54.97 54.02 2kb4 s GLU 127 Cb 0.01 -2.37 0.03 0.00 -0.44 0.00 0.00 34.13 31.36 2kb4 s GLU 127 CO 0.10 0.53 -0.16 0.42 0.95 0.00 0.00 175.26 177.10 2kb4 s ILE 128 N -1.20 1.89 -0.20 1.83 -1.09 0.63 -1.19 121.20 121.87 2kb4 s ILE 128 Ca 0.21 -0.98 0.02 0.00 -2.23 0.00 0.00 60.65 57.67 2kb4 s ILE 128 Cb -0.11 -1.80 0.03 0.00 -1.58 0.00 0.00 42.46 39.00 2kb4 s ILE 128 CO 0.13 0.38 -0.17 -1.58 -1.23 0.00 0.00 174.94 172.48 2kb4 s GLN 129 N 1.33 2.70 -0.23 2.79 -0.44 0.72 -0.42 119.66 126.10 2kb4 s GLN 129 Ca 0.02 -0.98 -0.00 0.00 -2.50 0.00 0.00 55.36 51.90 2kb4 s GLN 129 Cb -0.14 -2.64 0.06 0.00 -1.64 0.00 0.00 33.01 28.65 2kb4 s GLN 129 CO -0.11 -0.33 -0.01 -1.50 0.50 0.00 0.00 175.29 173.85 2kb4 s ILE 130 N 1.25 1.18 0.00 -2.34 2.07 -0.26 0.02 121.20 123.12 2kb4 s ILE 130 Ca 0.01 -1.06 0.00 0.00 -1.41 0.00 0.00 60.65 58.18 2kb4 s ILE 130 Cb -0.15 -1.57 0.00 0.00 0.13 0.00 0.00 42.46 40.86 2kb4 s ILE 130 CO -0.10 -0.20 0.00 0.61 -1.91 0.00 0.00 174.94 173.34 2kb4 n GLY 131 N 4.79 1.36 0.00 1.50 0.00 -1.25 -0.70 105.19 110.89 2kb4 n GLY 131 Ca -0.10 0.17 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 0.28 0.00 0.00 0.00 173.32 173.60 2kb4 n LYS 132 N 0.00 1.62 -3.05 1.61 4.01 -1.26 -4.97 118.16 116.11 2kb4 n LYS 132 Ca 0.00 -1.15 -0.43 0.00 -0.51 0.00 0.00 58.31 56.21 2kb4 n LYS 132 Cb 0.00 -1.00 -0.06 0.00 -0.51 0.00 0.00 35.03 33.46 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2kb4 s PHE 133 N -0.65 2.98 -0.26 2.13 0.08 0.12 -4.64 117.98 117.74 2kb4 s PHE 133 Ca 0.00 -0.28 -0.14 0.00 0.12 0.00 0.00 56.93 56.63 2kb4 s PHE 133 Cb 0.00 -3.65 -0.04 0.00 -0.57 0.00 0.00 43.02 38.76 2kb4 s PHE 133 CO 0.00 -1.09 0.34 -0.98 -0.10 0.00 0.00 175.22 173.39 2kb4 s ARG 134 N 3.05 4.03 0.02 0.44 1.70 -0.15 -1.10 118.95 126.94 2kb4 s ARG 134 Ca 0.21 -0.01 0.07 0.00 -0.47 0.00 0.00 55.73 55.53 2kb4 s ARG 134 Cb -0.16 -3.63 -0.02 0.00 -0.57 0.00 0.00 34.95 30.56 2kb4 s ARG 134 CO 0.16 -0.21 -0.21 -1.17 -1.08 0.00 0.00 175.30 172.79 2kb4 s LEU 135 N 1.87 2.12 -0.05 -1.89 2.96 0.43 -1.29 118.68 122.83 2kb4 s LEU 135 Ca 0.14 -0.46 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 2kb4 s LEU 135 Cb -0.16 -1.00 -0.00 0.00 0.50 0.00 0.00 46.19 45.53 2kb4 s LEU 135 CO 0.09 0.20 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.44 2kb4 s VAL 136 N -0.67 1.59 -0.24 1.68 1.01 -0.16 -0.27 120.40 123.34 2kb4 s VAL 136 Ca 0.08 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 2kb4 s VAL 136 Cb -0.08 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 2kb4 s VAL 136 CO 0.01 0.45 0.03 0.12 0.00 0.00 0.00 175.10 175.71 2kb4 s PHE 137 N 0.03 3.04 0.04 5.22 5.36 -1.00 -0.37 117.98 130.29 2kb4 s PHE 137 Ca -0.05 -0.60 0.08 0.00 -0.96 0.00 0.00 56.93 55.40 2kb4 s PHE 137 Cb -0.12 -2.18 -0.03 0.00 -0.34 0.00 0.00 43.02 40.35 2kb4 s PHE 137 CO 0.03 -0.42 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.62 2kb4 s LEU 138 N 1.52 2.15 -1.19 6.12 2.01 0.24 0.39 118.68 129.94 2kb4 s LEU 138 Ca 0.06 -0.55 -0.13 0.00 0.01 0.00 0.00 54.13 53.52 2kb4 s LEU 138 Cb -0.15 -1.17 0.19 0.00 0.01 0.00 0.00 46.19 45.08 2kb4 s LEU 138 CO 0.01 0.23 1.36 0.00 1.01 0.00 0.00 176.35 178.96 2kb4 s ALA 139 N -0.77 4.15 0.00 4.21 0.00 -1.26 -1.45 121.76 126.64 2kb4 s ALA 139 Ca 0.10 -3.46 0.00 0.00 0.00 0.00 0.00 51.96 48.60 2kb4 s ALA 139 Cb -0.09 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 19.02 2kb4 s ALA 139 CO 0.02 -2.65 0.11 0.41 0.00 0.00 0.00 175.76 173.64 2kb4 n GLY 140 N 3.82 -0.47 3.73 0.00 0.00 -1.26 -4.86 105.19 106.16 2kb4 n GLY 140 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.05 4.25 -0.40 1.61 0.02 -1.26 -4.98 135.00 133.19 2kb4 s PRO 141 Ca 0.00 2.31 -0.07 0.00 0.02 0.00 0.00 61.00 63.26 2kb4 s PRO 141 Cb 0.00 -3.13 0.09 0.00 0.02 0.00 0.00 34.50 31.47 2kb4 s PRO 141 CO 0.00 -0.48 0.22 0.00 -0.33 0.00 0.00 177.00 176.41 2kb4 s ALA 142 N 0.43 3.20 0.00 -1.55 0.00 -1.26 -4.38 121.76 118.20 2kb4 s ALA 142 Ca 0.63 -2.23 0.00 0.00 0.00 0.00 0.00 51.96 50.36 2kb4 s ALA 142 Cb -0.42 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.19 2kb4 s ALA 142 CO 0.39 -1.66 0.14 -1.91 0.00 0.00 0.00 175.76 172.72