#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 0.08 -3.29 6.12 0.02 -2.14 -3.47 113.55 110.87 2kb4 h SER 2 Ca 0.00 -0.95 -0.04 0.00 -0.84 0.00 0.00 61.79 59.97 2kb4 h SER 2 Cb 0.00 -0.03 -0.23 0.00 0.14 0.00 0.00 62.40 62.29 2kb4 h SER 2 CO 0.00 1.12 -0.07 -0.62 -1.14 0.00 0.00 176.83 176.12 2kb4 s ASP 3 N -6.41 -0.76 0.04 3.07 2.15 -1.26 -5.16 116.67 108.33 2kb4 s ASP 3 Ca -0.19 1.29 0.00 0.00 0.43 0.00 0.00 52.55 54.08 2kb4 s ASP 3 Cb -0.01 1.20 -0.04 0.00 -0.30 0.00 0.00 42.92 43.76 2kb4 s ASP 3 CO 0.71 -0.22 0.13 0.54 -0.17 0.00 0.00 175.17 176.15 2kb4 s ASN 4 N 1.26 5.91 -0.34 -0.34 2.20 -1.26 -5.08 114.94 117.29 2kb4 s ASN 4 Ca -0.07 0.16 0.02 0.00 -0.94 0.00 0.00 52.86 52.02 2kb4 s ASN 4 Cb -0.06 -1.72 0.09 0.00 -2.00 0.00 0.00 41.25 37.56 2kb4 s ASN 4 CO -0.13 0.21 0.06 0.20 -2.94 0.00 0.00 177.10 174.50 2kb4 s ASN 5 N -2.18 4.86 -0.36 3.54 0.02 -1.26 -4.93 114.94 114.63 2kb4 s ASN 5 Ca 0.29 -1.94 0.14 0.00 -1.02 0.00 0.00 52.86 50.33 2kb4 s ASN 5 Cb -0.12 -1.68 0.40 0.00 0.02 0.00 0.00 41.25 39.87 2kb4 s ASN 5 CO 0.21 -0.38 0.85 0.61 0.02 0.00 0.00 177.10 178.41 2kb4 n GLY 6 N 4.40 2.91 3.71 0.66 0.00 -1.26 -5.10 105.19 110.50 2kb4 n GLY 6 Ca -0.02 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 2kb4 n GLY 6 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb4 s THR 7 N -2.97 2.83 0.16 2.61 -1.32 -1.26 -4.93 115.64 110.77 2kb4 s THR 7 Ca 0.35 0.49 -0.31 0.00 -1.21 0.00 0.00 61.69 61.01 2kb4 s THR 7 Cb 0.40 -3.32 -0.11 0.00 -1.51 0.00 0.00 72.50 67.96 2kb4 s THR 7 CO -0.04 0.02 1.74 -2.84 -2.21 0.00 0.00 174.62 171.30 2kb4 s PRO 8 N 1.75 4.14 -0.33 7.08 0.02 -1.26 -4.98 135.00 141.44 2kb4 s PRO 8 Ca 0.71 2.56 -0.11 0.00 0.02 0.00 0.00 61.00 64.17 2kb4 s PRO 8 Cb -0.42 -3.34 -0.01 0.00 0.02 0.00 0.00 34.50 30.75 2kb4 s PRO 8 CO 0.32 -0.77 0.20 -1.21 -0.33 0.00 0.00 177.00 175.21 2kb4 s GLU 9 N 1.93 3.45 0.05 5.54 2.02 -1.26 -5.05 118.70 125.38 2kb4 s GLU 9 Ca 0.77 -0.66 -0.31 0.00 0.02 0.00 0.00 54.97 54.79 2kb4 s GLU 9 Cb -0.47 -3.70 -0.06 0.00 0.10 0.00 0.00 34.13 30.00 2kb4 s GLU 9 CO 0.34 -0.42 1.26 -1.25 0.02 0.00 0.00 175.26 175.20 2kb4 s PRO 10 N 1.68 4.39 -0.38 0.39 0.04 -1.26 -5.00 135.00 134.85 2kb4 s PRO 10 Ca 0.06 1.83 -0.09 0.00 0.04 0.00 0.00 61.00 62.84 2kb4 s PRO 10 Cb -0.17 -3.38 0.05 0.00 0.04 0.00 0.00 34.50 31.04 2kb4 s PRO 10 CO 0.09 -0.35 0.20 -1.14 0.04 0.00 0.00 177.00 175.84 2kb4 s GLN 11 N 1.36 2.68 -0.05 4.56 -0.44 -1.26 -5.06 119.66 121.45 2kb4 s GLN 11 Ca 0.60 -1.25 0.05 0.00 -2.50 0.00 0.00 55.36 52.25 2kb4 s GLN 11 Cb -0.30 -3.68 -0.01 0.00 -1.64 0.00 0.00 33.01 27.38 2kb4 s GLN 11 CO 0.28 -0.79 -0.19 0.54 0.50 0.00 0.00 175.29 175.63 2kb4 s VAL 12 N 1.46 1.58 -0.16 1.34 0.11 -1.26 -5.12 120.40 118.35 2kb4 s VAL 12 Ca 0.01 -0.80 -0.06 0.00 -2.93 0.00 0.00 61.98 58.20 2kb4 s VAL 12 Cb -0.21 -1.35 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 2kb4 s VAL 12 CO 0.04 0.45 0.02 -0.70 -3.33 0.00 0.00 175.10 171.58 2kb4 s GLU 13 N -0.03 3.79 -0.26 1.54 2.12 -1.26 -5.05 118.70 119.55 2kb4 s GLU 13 Ca -0.03 -0.41 -0.01 0.00 0.36 0.00 0.00 54.97 54.87 2kb4 s GLU 13 Cb -0.12 -3.07 0.14 0.00 0.26 0.00 0.00 34.13 31.34 2kb4 s GLU 13 CO 0.02 0.30 0.39 0.99 -0.54 0.00 0.00 175.26 176.42 2kb4 s THR 14 N 0.26 -0.62 -0.24 -1.70 2.01 -1.26 -5.13 115.64 108.96 2kb4 s THR 14 Ca 0.01 -0.16 -0.13 0.00 0.31 0.00 0.00 61.69 61.72 2kb4 s THR 14 Cb -0.13 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 2kb4 s THR 14 CO 0.01 -0.18 0.30 0.42 -0.69 0.00 0.00 174.62 174.48 2kb4 s THR 15 N 2.55 5.25 -0.51 -0.82 -4.23 -1.26 -5.03 115.64 111.59 2kb4 s THR 15 Ca 0.12 0.46 -0.28 0.00 -1.18 0.00 0.00 61.69 60.80 2kb4 s THR 15 Cb -0.14 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.09 2kb4 s THR 15 CO -0.21 0.25 1.13 -0.55 -0.54 0.00 0.00 174.62 174.70 2kb4 s SER 16 N 1.31 6.56 0.02 3.99 0.15 -1.26 -5.00 113.70 119.47 2kb4 s SER 16 Ca 0.13 0.30 -0.28 0.00 0.70 0.00 0.00 55.95 56.81 2kb4 s SER 16 Cb -0.15 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 2kb4 s SER 16 CO 0.08 -1.30 0.89 -0.69 1.20 0.00 0.00 173.24 173.42 2kb4 s VAL 17 N 4.53 4.80 0.23 4.45 1.01 -1.26 -5.05 120.40 129.11 2kb4 s VAL 17 Ca 0.45 1.88 0.03 0.00 0.00 0.00 0.00 61.98 64.35 2kb4 s VAL 17 Cb -0.08 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 2kb4 s VAL 17 CO 0.29 0.25 0.38 0.72 0.00 0.00 0.00 175.10 176.73 2kb4 s PHE 18 N 0.57 3.47 0.22 5.22 -0.12 -1.26 -5.11 117.98 120.96 2kb4 s PHE 18 Ca 0.46 0.09 0.09 0.00 -0.05 0.00 0.00 56.93 57.52 2kb4 s PHE 18 Cb -0.21 -1.66 -0.05 0.00 -0.63 0.00 0.00 43.02 40.47 2kb4 s PHE 18 CO 0.26 0.40 -0.16 1.03 -0.05 0.00 0.00 175.22 176.70 2kb4 s ARG 19 N -3.83 1.40 -1.16 1.99 0.52 -1.26 -5.05 118.95 111.57 2kb4 s ARG 19 Ca 0.35 -1.61 -0.18 0.00 -0.52 0.00 0.00 55.73 53.77 2kb4 s ARG 19 Cb -0.10 -1.28 0.11 0.00 0.52 0.00 0.00 34.95 34.20 2kb4 s ARG 19 CO 0.30 0.22 1.48 0.00 0.02 0.00 0.00 175.30 177.32 2kb4 s ALA 20 N -2.79 3.46 0.07 2.13 0.00 -1.26 -4.75 121.76 118.62 2kb4 s ALA 20 Ca 0.24 -2.93 0.12 0.00 0.00 0.00 0.00 51.96 49.38 2kb4 s ALA 20 Cb -0.02 -4.35 0.13 0.00 0.00 0.00 0.00 23.12 18.88 2kb4 s ALA 20 CO 0.09 -3.12 1.47 -0.44 0.00 0.00 0.00 175.76 173.75 2kb4 h ASP 21 N 8.02 0.00 -3.90 0.00 3.32 -2.05 -3.44 116.42 118.38 2kb4 h ASP 21 Ca 0.31 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.02 2kb4 h ASP 21 Cb 0.92 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.18 2kb4 h ASP 21 CO 1.32 0.67 -0.76 -1.48 -1.72 0.00 0.00 179.24 177.27 2kb4 s LEU 22 N -6.84 1.96 -0.29 1.55 2.34 -1.26 -5.12 118.68 111.02 2kb4 s LEU 22 Ca 0.01 -0.11 -0.18 0.00 0.06 0.00 0.00 54.13 53.92 2kb4 s LEU 22 Cb 0.10 -0.31 0.13 0.00 -0.56 0.00 0.00 46.19 45.54 2kb4 s LEU 22 CO 0.76 0.06 0.92 -1.48 -1.06 0.00 0.00 176.35 175.56 2kb4 s LEU 23 N -0.06 -0.59 0.14 1.48 0.05 -1.26 -5.17 118.68 113.26 2kb4 s LEU 23 Ca 0.01 0.99 -0.24 0.00 0.05 0.00 0.00 54.13 54.94 2kb4 s LEU 23 Cb -0.03 1.92 0.07 0.00 -2.05 0.00 0.00 46.19 46.10 2kb4 s LEU 23 CO -0.00 -0.16 0.73 -1.59 -0.55 0.00 0.00 176.35 174.78 2kb4 s LYS 24 N 1.15 1.24 0.00 1.48 0.00 -1.26 -5.18 119.74 117.18 2kb4 s LYS 24 Ca -0.07 -0.54 -0.04 0.00 0.00 0.00 0.00 55.97 55.33 2kb4 s LYS 24 Cb -0.04 0.52 -0.00 0.00 0.00 0.00 0.00 37.83 38.30 2kb4 s LYS 24 CO -0.14 -0.55 0.07 -1.83 0.00 0.00 0.00 175.35 172.90 2kb4 s GLU 25 N -3.57 0.37 -0.25 1.78 -1.05 -1.26 -4.97 118.70 109.74 2kb4 s GLU 25 Ca 0.05 -0.39 -0.06 0.00 -0.15 0.00 0.00 54.97 54.42 2kb4 s GLU 25 Cb -0.02 0.15 0.01 0.00 -0.44 0.00 0.00 34.13 33.83 2kb4 s GLU 25 CO -0.07 -0.08 0.22 -0.12 0.95 0.00 0.00 175.26 176.16 2kb4 n MET 26 N 1.75 -1.96 -3.62 -4.83 0.00 -1.26 -5.06 117.12 102.14 2kb4 n MET 26 Ca -0.22 1.81 -0.27 0.00 0.00 0.00 0.00 57.70 59.02 2kb4 n MET 26 Cb 0.56 -4.17 -0.16 0.00 0.00 0.00 0.00 33.22 29.45 2kb4 n MET 26 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2kb4 s GLU 27 N -1.64 0.24 -0.01 2.12 2.12 -1.26 -5.11 118.70 115.16 2kb4 s GLU 27 Ca 0.09 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.09 2kb4 s GLU 27 Cb -0.03 -1.69 0.01 0.00 0.26 0.00 0.00 34.13 32.68 2kb4 s GLU 27 CO 0.52 -0.79 -0.02 -1.54 -0.54 0.00 0.00 175.26 172.90 2kb4 s SER 28 N 2.05 0.29 0.00 -1.70 1.04 -1.26 -5.10 113.70 109.02 2kb4 s SER 28 Ca 0.04 -0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.14 2kb4 s SER 28 Cb -0.16 -0.07 -0.08 0.00 0.10 0.00 0.00 66.02 65.80 2kb4 s SER 28 CO -0.18 -0.01 1.93 -0.44 0.98 0.00 0.00 173.24 175.52 2kb4 s SER 29 N 0.24 6.42 -0.51 7.02 0.01 -1.26 -4.93 113.70 120.70 2kb4 s SER 29 Ca -0.02 2.54 -0.23 0.00 1.31 0.00 0.00 55.95 59.55 2kb4 s SER 29 Cb -0.04 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.70 2kb4 s SER 29 CO -0.01 -1.09 0.82 -0.89 0.41 0.00 0.00 173.24 172.48 2kb4 s THR 30 N 4.63 4.58 -1.51 1.44 2.01 -1.26 -4.95 115.64 120.59 2kb4 s THR 30 Ca 0.86 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.93 2kb4 s THR 30 Cb -0.40 -4.41 -0.00 0.00 0.01 0.00 0.00 72.50 67.69 2kb4 s THR 30 CO 0.39 -0.91 2.65 0.61 -0.69 0.00 0.00 174.62 176.67 2kb4 n GLY 31 N 5.09 4.55 3.58 4.40 0.00 -1.26 -4.87 105.19 116.67 2kb4 n GLY 31 Ca 0.00 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 2kb4 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 32 N 1.37 5.04 -0.35 2.61 2.01 -1.26 -5.03 115.64 120.03 2kb4 s THR 32 Ca 0.61 0.51 -0.20 0.00 0.31 0.00 0.00 61.69 62.91 2kb4 s THR 32 Cb 0.17 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.78 2kb4 s THR 32 CO -0.07 -0.10 0.63 0.00 -0.69 0.00 0.00 174.62 174.39 2kb4 s ALA 33 N 2.34 3.46 -0.09 7.40 0.00 -1.26 -5.01 121.76 128.60 2kb4 s ALA 33 Ca 0.19 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 2kb4 s ALA 33 Cb -0.15 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 2kb4 s ALA 33 CO 0.12 -1.33 1.61 -1.25 0.00 0.00 0.00 175.76 174.91 2kb4 s PRO 34 N 2.69 4.13 -0.03 0.00 0.04 -1.26 -4.98 135.00 135.59 2kb4 s PRO 34 Ca 0.24 2.07 0.05 0.00 0.04 0.00 0.00 61.00 63.40 2kb4 s PRO 34 Cb -0.14 -3.97 -0.01 0.00 0.04 0.00 0.00 34.50 30.42 2kb4 s PRO 34 CO 0.15 -0.89 -0.17 0.00 0.04 0.00 0.00 177.00 176.12 2kb4 s ALA 35 N 4.15 1.50 0.17 8.56 0.00 -1.26 -5.02 121.76 129.86 2kb4 s ALA 35 Ca 0.71 -0.72 -0.14 0.00 0.00 0.00 0.00 51.96 51.81 2kb4 s ALA 35 Cb -0.31 -0.45 0.10 0.00 0.00 0.00 0.00 23.12 22.45 2kb4 s ALA 35 CO 0.28 0.31 1.78 0.77 0.00 0.00 0.00 175.76 178.90 2kb4 h SER 36 N 6.04 0.31 -6.07 0.00 0.02 -2.08 -3.46 113.55 108.31 2kb4 h SER 36 Ca -0.34 0.03 -0.44 0.00 -0.84 0.00 0.00 61.79 60.20 2kb4 h SER 36 Cb 1.16 -0.03 0.05 0.00 0.14 0.00 0.00 62.40 63.72 2kb4 h SER 36 CO 0.48 0.22 -0.73 0.41 -1.14 0.00 0.00 176.83 176.08 2kb4 n THR 37 N -4.91 -2.69 -1.53 -2.27 -1.04 -1.26 -4.89 114.28 95.69 2kb4 n THR 37 Ca 0.03 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.05 61.86 2kb4 n THR 37 Cb 0.12 -3.46 0.15 0.00 -1.82 0.00 0.00 70.33 65.31 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 -1.82 5.30 0.20 3.41 0.00 -1.26 -4.63 105.19 106.39 2kb4 n GLY 38 Ca 0.00 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 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 1.36 0.55 0.00 4.61 0.00 -1.90 -2.28 119.26 121.61 2kb4 h ALA 39 Ca 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2kb4 h ALA 39 Cb 1.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2kb4 h ALA 39 CO 0.69 0.10 0.00 -0.85 0.00 0.00 0.00 179.25 179.19 2kb4 n GLU 40 N -4.68 0.05 0.20 0.00 0.28 -1.26 -2.44 120.64 112.79 2kb4 n GLU 40 Ca 0.01 0.25 0.14 0.00 -0.16 0.00 0.00 57.16 57.40 2kb4 n GLU 40 Cb 0.10 -1.59 0.52 0.00 1.43 0.00 0.00 31.44 31.91 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 0.00 -2.52 -1.84 -0.00 -1.74 -3.43 115.58 106.05 2kb4 h ASN 41 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 56.30 55.77 2kb4 h ASN 41 Cb 0.33 0.00 0.04 0.00 -0.00 0.00 0.00 38.32 38.69 2kb4 h ASN 41 CO 0.00 0.00 1.12 -0.22 -0.00 0.00 0.00 177.43 178.33 2kb4 s LEU 42 N -5.47 4.40 1.12 0.34 2.96 -1.02 -4.98 118.68 116.03 2kb4 s LEU 42 Ca 0.04 2.78 -0.14 0.00 -0.22 0.00 0.00 54.13 56.59 2kb4 s LEU 42 Cb 0.09 -3.57 0.25 0.00 0.50 0.00 0.00 46.19 43.47 2kb4 s LEU 42 CO 0.52 -1.02 1.06 -2.84 -1.32 0.00 0.00 176.35 172.75 2kb4 s PRO 43 N 2.79 -0.57 0.60 0.98 0.02 -1.26 -5.01 135.00 132.55 2kb4 s PRO 43 Ca 0.82 0.51 -0.17 0.00 0.02 0.00 0.00 61.00 62.17 2kb4 s PRO 43 Cb -0.46 -1.62 -0.03 0.00 0.02 0.00 0.00 34.50 32.40 2kb4 s PRO 43 CO 0.37 -3.40 1.12 0.00 -0.33 0.00 0.00 177.00 174.75 2kb4 s ALA 44 N -2.74 2.59 0.00 -1.55 0.00 -1.26 -4.40 121.76 114.40 2kb4 s ALA 44 Ca 0.67 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2kb4 s ALA 44 Cb -0.20 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2kb4 s ALA 44 CO 0.60 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2kb4 n GLY 45 N -0.18 1.20 3.92 0.00 0.00 0.89 -4.92 105.19 106.10 2kb4 n GLY 45 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 6.29 0.53 1.61 0.01 -1.08 -4.62 113.70 114.44 2kb4 s SER 46 Ca 0.00 0.71 0.04 0.00 1.31 0.00 0.00 55.95 58.01 2kb4 s SER 46 Cb 0.00 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 64.10 2kb4 s SER 46 CO 0.00 -0.44 0.24 0.00 0.41 0.00 0.00 173.24 173.45 2kb4 s ALA 47 N -2.53 4.30 0.13 1.44 0.00 -1.26 0.09 121.76 123.92 2kb4 s ALA 47 Ca 0.44 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.53 2kb4 s ALA 47 Cb -0.10 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 2kb4 s ALA 47 CO 0.40 -0.27 -0.10 -0.48 0.00 0.00 0.00 175.76 175.32 2kb4 s LEU 48 N -4.11 2.50 0.09 0.00 0.05 -1.06 -0.70 118.68 115.44 2kb4 s LEU 48 Ca 0.23 -0.97 0.10 0.00 0.05 0.00 0.00 54.13 53.54 2kb4 s LEU 48 Cb -0.01 -0.31 -0.04 0.00 -2.05 0.00 0.00 46.19 43.79 2kb4 s LEU 48 CO 0.14 -0.33 -0.25 -1.48 -0.55 0.00 0.00 176.35 173.88 2kb4 s LEU 49 N -2.99 2.34 0.07 1.48 0.05 -0.32 -1.64 118.68 117.68 2kb4 s LEU 49 Ca 0.14 -0.65 0.05 0.00 0.05 0.00 0.00 54.13 53.72 2kb4 s LEU 49 Cb 0.02 -1.30 -0.03 0.00 -2.05 0.00 0.00 46.19 42.82 2kb4 s LEU 49 CO -0.00 0.21 -0.15 -0.69 -0.55 0.00 0.00 176.35 175.17 2kb4 s VAL 50 N -0.98 1.16 -0.29 1.48 1.01 0.31 -1.38 120.40 121.71 2kb4 s VAL 50 Ca 0.14 -1.31 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 2kb4 s VAL 50 Cb -0.10 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2kb4 s VAL 50 CO 0.05 -0.20 0.70 0.54 0.00 0.00 0.00 175.10 176.18 2kb4 s VAL 51 N -1.25 4.89 -0.19 2.92 0.11 -0.59 -1.82 120.40 124.47 2kb4 s VAL 51 Ca -0.01 1.08 -0.00 0.00 -2.93 0.00 0.00 61.98 60.11 2kb4 s VAL 51 Cb -0.10 -4.04 -0.21 0.00 -1.53 0.00 0.00 36.38 30.49 2kb4 s VAL 51 CO 0.02 -0.14 0.07 1.17 -3.33 0.00 0.00 175.10 172.90 2kb4 n LYS 52 N 5.96 0.70 -3.26 1.54 4.81 -0.93 -4.85 118.16 122.14 2kb4 n LYS 52 Ca 0.01 0.19 -0.08 0.00 -0.87 0.00 0.00 58.31 57.56 2kb4 n LYS 52 Cb 0.48 -1.61 -0.04 0.00 0.02 0.00 0.00 35.03 33.88 2kb4 n LYS 52 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2kb4 s ARG 53 N -2.54 0.76 -0.06 1.64 6.06 -0.16 -4.88 118.95 119.77 2kb4 s ARG 53 Ca -0.27 -0.64 -0.01 0.00 -2.50 0.00 0.00 55.73 52.31 2kb4 s ARG 53 Cb 0.08 -0.33 0.00 0.00 0.06 0.00 0.00 34.95 34.76 2kb4 s ARG 53 CO 0.69 -1.21 0.01 0.41 -2.50 0.00 0.00 175.30 172.70 2kb4 n GLY 54 N 4.19 -0.02 0.24 8.12 0.00 -1.26 -1.40 105.19 115.07 2kb4 n GLY 54 Ca 0.12 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 2kb4 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 h PRO 55 N 1.69 0.83 0.00 1.61 0.13 -1.91 -3.43 132.00 130.92 2kb4 h PRO 55 Ca -0.03 -0.57 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2kb4 h PRO 55 Cb 0.06 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.27 2kb4 h PRO 55 CO 0.03 1.20 0.00 0.09 -0.23 0.00 0.00 178.00 179.08 2kb4 n ASN 56 N -4.02 0.00 -0.30 1.44 4.13 -1.26 -0.61 115.26 114.65 2kb4 n ASN 56 Ca -0.05 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.31 2kb4 n ASN 56 Cb 0.65 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.85 2kb4 n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb4 n ALA 57 N -1.88 4.01 -3.41 5.41 0.00 -1.26 -3.38 120.51 119.99 2kb4 n ALA 57 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 53.44 52.62 2kb4 n ALA 57 Cb 0.00 -0.80 0.07 0.00 0.00 0.00 0.00 19.45 18.72 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 1.45 -0.30 0.00 0.00 0.00 -1.26 -4.97 105.19 100.11 2kb4 n GLY 58 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N -4.56 0.00 -2.70 4.61 0.00 -1.26 -4.95 120.51 111.65 2kb4 n ALA 59 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 2kb4 n ALA 59 Cb 0.56 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.11 0.83 0.04 0.00 1.70 -1.26 -1.54 118.95 118.61 2kb4 s ARG 60 Ca 0.00 -0.35 -0.23 0.00 -0.47 0.00 0.00 55.73 54.68 2kb4 s ARG 60 Cb 0.00 -0.79 0.05 0.00 -0.57 0.00 0.00 34.95 33.64 2kb4 s ARG 60 CO 0.00 0.20 0.52 -0.59 -1.08 0.00 0.00 175.30 174.36 2kb4 s PHE 61 N -0.18 -0.43 0.23 5.89 -0.12 -0.48 -5.00 117.98 117.89 2kb4 s PHE 61 Ca 0.03 0.50 -0.30 0.00 -0.05 0.00 0.00 56.93 57.11 2kb4 s PHE 61 Cb -0.04 0.34 -0.09 0.00 -0.63 0.00 0.00 43.02 42.60 2kb4 s PHE 61 CO -0.00 -0.64 0.94 -1.17 -0.05 0.00 0.00 175.22 174.30 2kb4 s LEU 62 N -1.93 4.63 -0.37 -1.99 2.96 -1.26 -1.17 118.68 119.56 2kb4 s LEU 62 Ca -0.06 1.93 -0.27 0.00 -0.22 0.00 0.00 54.13 55.52 2kb4 s LEU 62 Cb -0.01 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 43.10 2kb4 s LEU 62 CO -0.01 0.14 0.98 -0.76 -1.32 0.00 0.00 176.35 175.38 2kb4 s LEU 63 N -1.07 3.95 0.00 -0.68 1.02 0.12 -4.84 118.68 117.18 2kb4 s LEU 63 Ca 0.41 0.67 0.09 0.00 0.02 0.00 0.00 54.13 55.33 2kb4 s LEU 63 Cb -0.26 -3.35 0.14 0.00 0.02 0.00 0.00 46.19 42.74 2kb4 s LEU 63 CO 0.32 -0.90 0.95 -0.90 0.02 0.00 0.00 176.35 175.83 2kb4 n ASP 64 N 6.90 2.14 -4.28 2.29 5.75 -1.26 -4.37 116.55 123.72 2kb4 n ASP 64 Ca 0.09 -1.62 -0.29 0.00 -0.01 0.00 0.00 54.79 52.96 2kb4 n ASP 64 Cb 0.48 -0.07 -0.15 0.00 -1.03 0.00 0.00 41.12 40.34 2kb4 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kb4 s GLN 65 N -0.85 1.85 0.14 0.11 -2.07 -1.26 -4.23 119.66 113.35 2kb4 s GLN 65 Ca 0.14 -0.89 -0.19 0.00 -1.82 0.00 0.00 55.36 52.59 2kb4 s GLN 65 Cb 0.08 -1.84 0.01 0.00 -1.09 0.00 0.00 33.01 30.17 2kb4 s GLN 65 CO 0.12 0.50 1.70 -1.35 -1.32 0.00 0.00 175.29 174.93 2kb4 h PRO 66 N 5.37 0.01 -4.74 9.60 0.11 -1.82 -3.37 132.00 137.16 2kb4 h PRO 66 Ca -0.42 -0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.03 2kb4 h PRO 66 Cb 1.13 -0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.86 2kb4 h PRO 66 CO 0.46 0.01 -0.79 0.99 -0.21 0.00 0.00 178.00 178.47 2kb4 s THR 67 N -6.20 2.06 -0.35 -1.15 2.01 -1.25 -0.26 115.64 110.49 2kb4 s THR 67 Ca -0.13 -1.66 -0.20 0.00 0.31 0.00 0.00 61.69 60.00 2kb4 s THR 67 Cb 0.11 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.38 2kb4 s THR 67 CO 0.69 -0.13 0.60 -0.89 -0.69 0.00 0.00 174.62 174.20 2kb4 s THR 68 N 1.13 4.93 -0.22 -0.82 2.01 0.69 -4.90 115.64 118.46 2kb4 s THR 68 Ca -0.06 0.52 -0.19 0.00 0.31 0.00 0.00 61.69 62.27 2kb4 s THR 68 Cb -0.20 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 2kb4 s THR 68 CO -0.06 -0.28 0.56 0.42 -0.69 0.00 0.00 174.62 174.58 2kb4 s THR 69 N 2.61 5.06 -0.22 -0.82 -4.23 -1.26 -0.84 115.64 115.94 2kb4 s THR 69 Ca 0.23 1.03 -0.05 0.00 -1.18 0.00 0.00 61.69 61.72 2kb4 s THR 69 Cb -0.15 -3.88 -0.02 0.00 1.34 0.00 0.00 72.50 69.79 2kb4 s THR 69 CO 0.14 0.12 -0.00 0.00 -0.54 0.00 0.00 174.62 174.34 2kb4 s ALA 70 N 1.94 2.96 0.00 3.99 0.00 0.32 -0.53 121.76 130.44 2kb4 s ALA 70 Ca 0.25 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2kb4 s ALA 70 Cb -0.16 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.16 2kb4 s ALA 70 CO 0.10 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2kb4 n GLY 71 N 4.61 2.82 2.96 0.00 0.00 -0.19 -0.01 105.19 115.37 2kb4 n GLY 71 Ca -0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 4.62 0.95 -0.30 1.61 6.06 -1.21 -2.31 118.95 128.37 2kb4 s ARG 72 Ca 0.00 -0.72 -0.30 0.00 -2.50 0.00 0.00 55.73 52.21 2kb4 s ARG 72 Cb 0.00 -0.01 0.20 0.00 0.06 0.00 0.00 34.95 35.20 2kb4 s ARG 72 CO 0.00 -1.27 1.40 -1.58 -2.50 0.00 0.00 175.30 171.35 2kb4 s HIS 73 N 1.31 -0.00 0.62 5.12 2.46 -1.26 -4.58 115.29 118.96 2kb4 s HIS 73 Ca 0.24 0.00 0.38 0.00 0.47 0.00 0.00 55.06 56.15 2kb4 s HIS 73 Cb -0.02 0.50 2.15 0.00 -0.13 0.00 0.00 32.58 35.08 2kb4 s HIS 73 CO -0.06 -0.00 2.31 -1.35 -2.47 0.00 0.00 174.74 173.17 2kb4 h PRO 74 N 2.00 0.00 0.00 2.88 0.11 -2.00 -0.95 132.00 134.05 2kb4 h PRO 74 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2kb4 h PRO 74 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kb4 h PRO 74 CO 0.21 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.93 2kb4 h GLU 75 N 0.00 0.00 -6.00 1.05 4.39 -2.01 -3.42 114.58 108.59 2kb4 h GLU 75 Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 2kb4 h GLU 75 Cb 0.03 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 2kb4 h GLU 75 CO 0.00 0.00 0.01 -1.12 -1.16 0.00 0.00 179.01 176.74 2kb4 s SER 76 N -5.66 6.93 -0.03 1.42 0.01 -0.36 -4.98 113.70 111.02 2kb4 s SER 76 Ca 0.08 1.11 -0.26 0.00 1.31 0.00 0.00 55.95 58.19 2kb4 s SER 76 Cb 0.07 -2.37 -0.21 0.00 0.21 0.00 0.00 66.02 63.73 2kb4 s SER 76 CO 0.64 -0.01 1.20 -0.78 0.41 0.00 0.00 173.24 174.69 2kb4 h ASP 77 N 6.33 -0.02 -2.93 2.44 3.58 -1.71 -3.44 116.42 120.67 2kb4 h ASP 77 Ca -0.43 -0.52 -0.61 0.00 0.42 0.00 0.00 57.03 55.89 2kb4 h ASP 77 Cb 1.19 0.01 -0.12 0.00 1.72 0.00 0.00 39.33 42.13 2kb4 h ASP 77 CO 0.73 0.52 -0.69 0.27 -2.88 0.00 0.00 179.24 177.19 2kb4 s ILE 78 N -4.02 3.49 -0.07 2.25 -4.36 0.31 -5.02 121.20 113.78 2kb4 s ILE 78 Ca -0.16 -1.52 0.04 0.00 -0.26 0.00 0.00 60.65 58.75 2kb4 s ILE 78 Cb 0.01 -2.75 -0.02 0.00 1.25 0.00 0.00 42.46 40.96 2kb4 s ILE 78 CO 0.66 -0.11 -0.19 0.72 0.24 0.00 0.00 174.94 176.27 2kb4 s PHE 79 N -1.72 2.61 0.15 1.37 -0.12 -1.26 -1.02 117.98 117.98 2kb4 s PHE 79 Ca 0.26 -0.49 -0.24 0.00 -0.05 0.00 0.00 56.93 56.41 2kb4 s PHE 79 Cb -0.09 -1.66 -0.08 0.00 -0.63 0.00 0.00 43.02 40.56 2kb4 s PHE 79 CO 0.17 -0.06 0.74 -0.48 -0.05 0.00 0.00 175.22 175.54 2kb4 s LEU 80 N -0.28 4.58 -0.85 -1.99 2.34 -0.98 -4.21 118.68 117.30 2kb4 s LEU 80 Ca 0.01 1.58 0.01 0.00 0.06 0.00 0.00 54.13 55.79 2kb4 s LEU 80 Cb -0.13 -3.23 0.34 0.00 -0.56 0.00 0.00 46.19 42.61 2kb4 s LEU 80 CO 0.03 0.22 1.58 -0.67 -1.06 0.00 0.00 176.35 176.45 2kb4 n ASP 81 N 1.63 6.47 -4.82 1.48 2.03 0.23 -4.89 116.55 118.67 2kb4 n ASP 81 Ca -0.06 -3.71 -0.30 0.00 0.52 0.00 0.00 54.79 51.24 2kb4 n ASP 81 Cb 0.49 -0.95 -0.06 0.00 -0.72 0.00 0.00 41.12 39.88 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 -2.01 5.74 0.12 1.67 -1.08 -1.26 -4.84 116.67 115.01 2kb4 s ASP 82 Ca 0.44 0.04 0.23 0.00 -0.52 0.00 0.00 52.55 52.73 2kb4 s ASP 82 Cb 0.26 -1.60 0.90 0.00 -1.46 0.00 0.00 42.92 41.02 2kb4 s ASP 82 CO -0.18 0.15 1.71 1.33 0.52 0.00 0.00 175.17 178.70 2kb4 n VAL 83 N 0.22 0.64 -2.38 1.11 0.24 -1.26 -3.04 118.33 113.86 2kb4 n VAL 83 Ca -0.08 0.07 -0.31 0.00 -2.04 0.00 0.00 64.34 61.98 2kb4 n VAL 83 Cb 0.52 -0.85 0.01 0.00 -1.47 0.00 0.00 33.84 32.05 2kb4 n VAL 83 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2kb4 n THR 84 N -1.89 2.98 -2.85 3.34 -1.04 -1.26 -5.05 114.28 108.50 2kb4 n THR 84 Ca 0.04 -4.88 -0.40 0.00 -2.04 0.00 0.00 64.05 56.77 2kb4 n THR 84 Cb 0.28 -1.29 -0.05 0.00 -1.82 0.00 0.00 70.33 67.45 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2kb4 s VAL 85 N -5.24 4.54 -0.04 12.58 0.11 -1.17 -4.97 120.40 126.21 2kb4 s VAL 85 Ca 0.49 1.87 -0.03 0.00 -2.93 0.00 0.00 61.98 61.38 2kb4 s VAL 85 Cb 0.39 -4.23 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 2kb4 s VAL 85 CO -0.25 0.37 0.13 -0.44 -3.33 0.00 0.00 175.10 171.59 2kb4 s SER 86 N -0.24 6.10 -0.04 3.54 0.01 -1.26 -4.91 113.70 116.90 2kb4 s SER 86 Ca 0.42 0.30 -0.30 0.00 1.31 0.00 0.00 55.95 57.68 2kb4 s SER 86 Cb -0.22 -1.87 -0.06 0.00 0.21 0.00 0.00 66.02 64.08 2kb4 s SER 86 CO 0.27 0.30 1.62 -0.13 0.41 0.00 0.00 173.24 175.71 2kb4 s ARG 87 N -1.61 4.19 -0.41 12.44 0.52 -1.26 -3.33 118.95 129.49 2kb4 s ARG 87 Ca 0.22 2.16 -0.16 0.00 -0.52 0.00 0.00 55.73 57.44 2kb4 s ARG 87 Cb -0.12 -3.91 0.02 0.00 0.52 0.00 0.00 34.95 31.45 2kb4 s ARG 87 CO 0.13 -0.81 0.52 0.54 0.02 0.00 0.00 175.30 175.70 2kb4 n ARG 88 N 6.85 -2.47 -0.10 3.54 1.74 -1.26 -4.93 116.66 120.04 2kb4 n ARG 88 Ca 0.17 2.14 -0.15 0.00 -0.77 0.00 0.00 57.85 59.24 2kb4 n ARG 88 Cb 0.43 -5.29 -0.14 0.00 -1.02 0.00 0.00 32.46 26.44 2kb4 n ARG 88 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2kb4 n HIS 89 N -0.15 0.14 -3.74 -1.55 -0.00 0.99 -4.01 115.22 106.90 2kb4 n HIS 89 Ca 0.09 0.04 -0.12 0.00 0.46 0.00 0.00 57.72 58.18 2kb4 n HIS 89 Cb 0.42 -1.02 -0.11 0.00 -0.12 0.00 0.00 29.99 29.16 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 -2.52 -0.82 -0.16 1.57 0.00 -0.87 0.20 121.76 119.16 2kb4 s ALA 90 Ca -0.23 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 2kb4 s ALA 90 Cb 0.08 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 2kb4 s ALA 90 CO 0.71 -0.19 -0.09 -1.21 0.00 0.00 0.00 175.76 174.98 2kb4 s GLU 91 N 0.61 3.42 -0.23 0.00 2.02 0.44 -0.52 118.70 124.43 2kb4 s GLU 91 Ca -0.04 -0.65 -0.07 0.00 0.02 0.00 0.00 54.97 54.23 2kb4 s GLU 91 Cb -0.05 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 2kb4 s GLU 91 CO -0.04 0.10 0.07 -0.06 0.02 0.00 0.00 175.26 175.35 2kb4 s PHE 92 N 0.68 3.12 -0.22 1.61 0.40 -0.02 -0.96 117.98 122.59 2kb4 s PHE 92 Ca -0.05 -0.28 -0.03 0.00 -0.60 0.00 0.00 56.93 55.97 2kb4 s PHE 92 Cb -0.15 -2.20 -0.00 0.00 0.51 0.00 0.00 43.02 41.17 2kb4 s PHE 92 CO 0.02 -0.23 -0.06 0.50 0.70 0.00 0.00 175.22 176.15 2kb4 s ARG 93 N 1.33 3.25 -0.23 0.44 3.52 0.67 -0.22 118.95 127.71 2kb4 s ARG 93 Ca 0.05 -0.70 -0.01 0.00 -0.13 0.00 0.00 55.73 54.94 2kb4 s ARG 93 Cb -0.15 -2.98 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 2kb4 s ARG 93 CO 0.04 -0.24 -0.08 -1.50 -0.81 0.00 0.00 175.30 172.71 2kb4 s ILE 94 N 1.44 2.77 -0.01 4.11 -1.16 0.64 -0.58 121.20 128.41 2kb4 s ILE 94 Ca 0.05 -0.97 -0.02 0.00 -0.51 0.00 0.00 60.65 59.20 2kb4 s ILE 94 Cb -0.15 -2.36 -0.04 0.00 0.61 0.00 0.00 42.46 40.53 2kb4 s ILE 94 CO -0.04 0.28 0.14 0.21 -2.81 0.00 0.00 174.94 172.71 2kb4 s ASN 95 N 1.33 6.07 0.56 4.50 2.47 0.77 -4.62 114.94 126.02 2kb4 s ASN 95 Ca 0.01 0.27 0.44 0.00 0.42 0.00 0.00 52.86 54.00 2kb4 s ASN 95 Cb -0.16 -1.85 1.61 0.00 -1.45 0.00 0.00 41.25 39.41 2kb4 s ASN 95 CO -0.06 0.27 1.63 1.05 -3.72 0.00 0.00 177.10 176.28 2kb4 h GLU 96 N 3.99 0.00 0.00 0.43 4.11 -1.91 -0.91 114.58 120.29 2kb4 h GLU 96 Ca -0.49 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.78 2kb4 h GLU 96 Cb 1.19 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.09 2kb4 h GLU 96 CO 0.66 0.00 -0.98 0.41 0.07 0.00 0.00 179.01 179.17 2kb4 n GLY 97 N -1.85 1.25 3.53 1.06 0.00 -1.26 -4.85 105.19 103.07 2kb4 n GLY 97 Ca 0.36 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 2kb4 n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kb4 s GLU 98 N -0.21 0.84 -0.10 1.61 2.56 -0.35 -5.16 118.70 117.89 2kb4 s GLU 98 Ca 0.33 0.03 0.02 0.00 0.00 0.00 0.00 54.97 55.35 2kb4 s GLU 98 Cb 0.37 0.39 0.01 0.00 2.00 0.00 0.00 34.13 36.91 2kb4 s GLU 98 CO -0.16 -0.30 -0.16 -0.06 -0.56 0.00 0.00 175.26 174.03 2kb4 s PHE 99 N -1.79 1.99 -0.03 5.30 0.08 -1.26 -0.16 117.98 122.10 2kb4 s PHE 99 Ca -0.03 -0.89 0.02 0.00 0.12 0.00 0.00 56.93 56.16 2kb4 s PHE 99 Cb -0.00 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 41.04 2kb4 s PHE 99 CO 0.01 -0.44 -0.09 -2.00 -0.10 0.00 0.00 175.22 172.60 2kb4 s GLU 100 N 0.83 0.98 -0.07 0.44 2.12 0.26 -0.38 118.70 122.88 2kb4 s GLU 100 Ca -0.10 -0.29 0.02 0.00 0.36 0.00 0.00 54.97 54.96 2kb4 s GLU 100 Cb -0.16 -0.91 0.01 0.00 0.26 0.00 0.00 34.13 33.34 2kb4 s GLU 100 CO 0.01 0.10 -0.12 0.54 -0.54 0.00 0.00 175.26 175.25 2kb4 s VAL 101 N 0.26 1.14 -0.15 3.70 0.11 -0.46 -0.24 120.40 124.77 2kb4 s VAL 101 Ca -0.04 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 2kb4 s VAL 101 Cb -0.09 -1.05 0.01 0.00 -1.53 0.00 0.00 36.38 33.72 2kb4 s VAL 101 CO 0.01 0.36 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.24 2kb4 s VAL 102 N 0.76 2.15 -0.13 2.04 1.01 -0.13 -1.27 120.40 124.82 2kb4 s VAL 102 Ca -0.13 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 60.65 2kb4 s VAL 102 Cb -0.16 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 2kb4 s VAL 102 CO 0.03 0.54 0.86 -0.62 0.00 0.00 0.00 175.10 175.90 2kb4 s ASP 103 N 0.87 7.04 0.00 3.32 2.15 0.18 -0.42 116.67 129.80 2kb4 s ASP 103 Ca -0.06 1.27 0.01 0.00 0.43 0.00 0.00 52.55 54.21 2kb4 s ASP 103 Cb -0.15 -2.47 0.03 0.00 -0.30 0.00 0.00 42.92 40.03 2kb4 s ASP 103 CO -0.03 -0.36 0.92 0.52 -0.17 0.00 0.00 175.17 176.05 2kb4 n VAL 104 N 4.53 0.76 -2.17 1.11 0.31 0.13 -4.67 118.33 118.33 2kb4 n VAL 104 Ca 0.05 -0.88 -0.28 0.00 -0.01 0.00 0.00 64.34 63.22 2kb4 n VAL 104 Cb 0.49 0.63 0.02 0.00 -0.91 0.00 0.00 33.84 34.07 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kb4 n GLY 105 N -0.25 6.10 0.08 2.92 0.00 -0.06 -4.59 105.19 109.39 2kb4 n GLY 105 Ca 0.01 -2.67 0.07 0.00 0.00 0.00 0.00 46.02 43.44 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb4 n SER 106 N -0.60 0.33 -0.10 1.61 7.64 -1.26 -1.04 113.62 120.20 2kb4 n SER 106 Ca 0.44 0.63 0.01 0.00 1.01 0.00 0.00 58.87 60.95 2kb4 n SER 106 Cb 0.74 -0.68 0.30 0.00 -1.01 0.00 0.00 64.21 63.55 2kb4 n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kb4 h LEU 107 N 0.00 0.67 0.06 -3.43 3.38 -1.99 -2.91 115.31 111.08 2kb4 h LEU 107 Ca 0.00 -0.05 -0.36 0.00 0.09 0.00 0.00 57.88 57.56 2kb4 h LEU 107 Cb 0.12 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2kb4 h LEU 107 CO 0.00 0.55 -2.12 0.59 0.09 0.00 0.00 178.44 177.56 2kb4 n ASN 108 N -4.39 1.71 -0.48 -0.43 4.13 -0.21 -5.06 115.26 110.54 2kb4 n ASN 108 Ca 0.05 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.44 2kb4 n ASN 108 Cb 0.11 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 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 1.98 -0.88 3.66 7.41 0.00 -0.78 -4.95 105.19 111.63 2kb4 n GLY 109 Ca -0.33 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.04 4.76 -0.13 2.61 2.01 -1.26 -4.72 115.64 118.87 2kb4 s THR 110 Ca 0.00 1.82 -0.04 0.00 0.31 0.00 0.00 61.69 63.78 2kb4 s THR 110 Cb 0.00 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 2kb4 s THR 110 CO 0.00 -0.11 0.02 -0.31 -0.69 0.00 0.00 174.62 173.53 2kb4 s TYR 111 N 2.90 3.18 -0.24 4.92 2.02 -0.54 -3.78 117.35 125.81 2kb4 s TYR 111 Ca 0.40 0.06 -0.07 0.00 -0.37 0.00 0.00 57.07 57.09 2kb4 s TYR 111 Cb -0.15 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 2kb4 s TYR 111 CO 0.08 0.28 0.07 0.08 -1.57 0.00 0.00 175.55 174.49 2kb4 s VAL 112 N -0.26 4.36 -1.80 0.71 1.01 0.99 0.11 120.40 125.52 2kb4 s VAL 112 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2kb4 s VAL 112 Cb -0.12 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2kb4 s VAL 112 CO 0.02 0.35 0.00 0.59 0.00 0.00 0.00 175.10 176.06 2kb4 n ASN 113 N 4.74 -5.39 -0.18 3.32 3.02 0.23 -1.08 115.26 119.92 2kb4 n ASN 113 Ca -0.16 0.20 -0.02 0.00 -0.03 0.00 0.00 54.58 54.57 2kb4 n ASN 113 Cb 0.52 -4.49 -0.01 0.00 -0.61 0.00 0.00 39.78 35.19 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 -2.65 -0.43 -4.13 3.52 1.74 -1.26 -5.03 116.66 108.41 2kb4 n ARG 114 Ca -0.21 0.38 -0.35 0.00 -0.77 0.00 0.00 57.85 56.90 2kb4 n ARG 114 Cb 0.65 -3.90 -0.13 0.00 -1.02 0.00 0.00 32.46 28.05 2kb4 n ARG 114 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2kb4 s GLU 115 N -1.37 3.49 -0.45 5.56 2.56 -0.24 -4.98 118.70 123.27 2kb4 s GLU 115 Ca 0.00 -0.59 -0.28 0.00 0.00 0.00 0.00 54.97 54.10 2kb4 s GLU 115 Cb 0.00 -2.97 -0.08 0.00 2.00 0.00 0.00 34.13 33.07 2kb4 s GLU 115 CO 0.00 -0.03 2.37 -0.35 -0.56 0.00 0.00 175.26 176.69 2kb4 n PRO 116 N 4.31 1.20 -3.55 4.30 -0.04 -1.26 -0.01 135.00 139.96 2kb4 n PRO 116 Ca -0.18 0.17 -0.20 0.00 -0.04 0.00 0.00 63.50 63.25 2kb4 n PRO 116 Cb 0.52 -3.12 -0.14 0.00 -0.04 0.00 0.00 33.50 30.71 2kb4 n PRO 116 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2kb4 s ARG 117 N 7.61 0.13 0.30 0.54 6.06 -1.25 -4.93 118.95 127.41 2kb4 s ARG 117 Ca 1.03 0.16 0.17 0.00 -2.50 0.00 0.00 55.73 54.59 2kb4 s ARG 117 Cb -0.39 -1.30 0.11 0.00 0.06 0.00 0.00 34.95 33.43 2kb4 s ARG 117 CO 0.33 -0.62 1.42 -0.91 -2.50 0.00 0.00 175.30 173.01 2kb4 h ASN 118 N 8.35 0.00 -3.93 -2.12 4.21 -1.90 -3.40 115.58 116.80 2kb4 h ASN 118 Ca -0.16 0.00 -0.46 0.00 1.21 0.00 0.00 56.30 56.89 2kb4 h ASN 118 Cb 1.15 0.00 -0.30 0.00 -1.12 0.00 0.00 38.32 38.05 2kb4 h ASN 118 CO 0.27 0.37 -0.80 0.00 -1.29 0.00 0.00 177.43 175.98 2kb4 s ALA 119 N -3.03 1.01 0.01 -0.83 0.00 -1.26 0.47 121.76 118.13 2kb4 s ALA 119 Ca 0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 2kb4 s ALA 119 Cb 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 2kb4 s ALA 119 CO 0.74 0.19 -0.00 -1.14 0.00 0.00 0.00 175.76 175.55 2kb4 s GLN 120 N 0.02 0.20 -0.53 0.00 -0.44 -0.40 -5.01 119.66 113.50 2kb4 s GLN 120 Ca -0.01 -0.34 -0.18 0.00 -2.50 0.00 0.00 55.36 52.33 2kb4 s GLN 120 Cb -0.08 0.07 0.08 0.00 -1.64 0.00 0.00 33.01 31.44 2kb4 s GLN 120 CO 0.00 -0.03 0.61 0.08 0.50 0.00 0.00 175.29 176.45 2kb4 s VAL 121 N -0.85 4.93 0.18 1.34 1.01 -1.26 -1.35 120.40 124.40 2kb4 s VAL 121 Ca -0.09 -0.79 -0.33 0.00 0.00 0.00 0.00 61.98 60.77 2kb4 s VAL 121 Cb -0.06 -4.34 -0.13 0.00 0.00 0.00 0.00 36.38 31.86 2kb4 s VAL 121 CO -0.00 -0.88 1.68 0.23 0.00 0.00 0.00 175.10 176.13 2kb4 n MET 122 N 6.03 2.54 -4.10 2.72 2.81 0.49 -4.98 117.12 122.63 2kb4 n MET 122 Ca -0.09 0.92 -0.28 0.00 -1.81 0.00 0.00 57.70 56.44 2kb4 n MET 122 Cb 0.44 -2.74 -0.06 0.00 -0.71 0.00 0.00 33.22 30.15 2kb4 n MET 122 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2kb4 s GLN 123 N 1.25 2.76 -0.30 0.03 1.11 -1.26 -4.57 119.66 118.68 2kb4 s GLN 123 Ca 0.77 -0.88 -0.29 0.00 0.01 0.00 0.00 55.36 54.98 2kb4 s GLN 123 Cb -0.57 -2.59 0.00 0.00 -1.01 0.00 0.00 33.01 28.84 2kb4 s GLN 123 CO 0.35 0.50 1.25 -0.08 0.01 0.00 0.00 175.29 177.32 2kb4 s THR 124 N -1.62 4.23 0.00 -0.19 -1.32 -1.26 -1.90 115.64 113.57 2kb4 s THR 124 Ca 0.29 1.40 0.00 0.00 -1.21 0.00 0.00 61.69 62.17 2kb4 s THR 124 Cb -0.11 -4.21 0.00 0.00 -1.51 0.00 0.00 72.50 66.68 2kb4 s THR 124 CO 0.22 -0.46 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 2kb4 n GLY 125 N 4.18 1.02 3.74 6.08 0.00 0.79 -4.89 105.19 116.12 2kb4 n GLY 125 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2kb4 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kb4 s ASP 126 N -1.36 6.48 -0.15 1.61 1.01 -0.80 -4.75 116.67 118.71 2kb4 s ASP 126 Ca 0.00 2.82 -0.01 0.00 0.71 0.00 0.00 52.55 56.08 2kb4 s ASP 126 Cb 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 2kb4 s ASP 126 CO 0.00 -0.85 -0.12 -1.61 0.21 0.00 0.00 175.17 172.80 2kb4 s GLU 127 N -0.10 3.35 -0.29 8.23 2.02 -1.26 -0.77 118.70 129.88 2kb4 s GLU 127 Ca 0.64 -0.69 -0.13 0.00 0.02 0.00 0.00 54.97 54.81 2kb4 s GLU 127 Cb -0.46 -2.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 2kb4 s GLU 127 CO 0.43 0.12 0.30 0.42 0.02 0.00 0.00 175.26 176.55 2kb4 s ILE 128 N 0.60 5.23 -0.35 -1.63 1.01 0.10 0.75 121.20 126.90 2kb4 s ILE 128 Ca -0.07 0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 2kb4 s ILE 128 Cb -0.16 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2kb4 s ILE 128 CO 0.03 0.14 0.20 -1.58 0.00 0.00 0.00 174.94 173.73 2kb4 s GLN 129 N 1.94 3.10 -0.36 2.79 2.00 0.12 -1.25 119.66 127.99 2kb4 s GLN 129 Ca 0.11 -0.89 0.02 0.00 -2.00 0.00 0.00 55.36 52.60 2kb4 s GLN 129 Cb -0.16 -3.71 0.11 0.00 0.80 0.00 0.00 33.01 30.05 2kb4 s GLN 129 CO 0.11 -0.57 0.11 0.96 -0.50 0.00 0.00 175.29 175.39 2kb4 s ILE 130 N 1.61 1.83 0.00 -2.34 -4.36 -0.33 -1.47 121.20 116.13 2kb4 s ILE 130 Ca 0.04 -2.21 0.00 0.00 -0.26 0.00 0.00 60.65 58.22 2kb4 s ILE 130 Cb -0.18 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.19 2kb4 s ILE 130 CO 0.07 -0.67 0.00 0.61 0.24 0.00 0.00 174.94 175.19 2kb4 n GLY 131 N 4.22 1.41 0.46 6.27 0.00 -1.26 -1.24 105.19 115.04 2kb4 n GLY 131 Ca 0.03 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 1.31 -3.55 1.61 4.01 -1.26 -4.99 118.16 115.28 2kb4 n LYS 132 Ca 0.00 -1.09 -0.33 0.00 -0.51 0.00 0.00 58.31 56.38 2kb4 n LYS 132 Cb 0.00 -1.23 -0.05 0.00 -0.51 0.00 0.00 35.03 33.23 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 -1.35 3.52 -0.05 2.13 0.08 -0.37 -4.92 117.98 117.02 2kb4 s PHE 133 Ca 0.14 0.76 0.01 0.00 0.12 0.00 0.00 56.93 57.96 2kb4 s PHE 133 Cb 0.11 -2.15 0.02 0.00 -0.57 0.00 0.00 43.02 40.43 2kb4 s PHE 133 CO 0.24 0.43 -0.05 1.03 -0.10 0.00 0.00 175.22 176.77 2kb4 s ARG 134 N -2.32 0.93 0.00 0.44 0.52 -0.49 -1.19 118.95 116.84 2kb4 s ARG 134 Ca 0.39 -0.14 0.02 0.00 -0.52 0.00 0.00 55.73 55.48 2kb4 s ARG 134 Cb -0.13 -0.90 -0.04 0.00 0.52 0.00 0.00 34.95 34.41 2kb4 s ARG 134 CO 0.21 -0.07 -0.03 -1.17 0.02 0.00 0.00 175.30 174.26 2kb4 s LEU 135 N 0.88 3.34 -0.07 2.53 1.98 -0.38 -0.99 118.68 125.98 2kb4 s LEU 135 Ca -0.12 -0.08 0.01 0.00 -2.89 0.00 0.00 54.13 51.06 2kb4 s LEU 135 Cb -0.14 -1.92 0.02 0.00 0.66 0.00 0.00 46.19 44.80 2kb4 s LEU 135 CO 0.01 0.28 -0.10 0.54 -1.89 0.00 0.00 176.35 175.19 2kb4 s VAL 136 N -1.05 0.99 -0.15 1.68 0.11 -0.75 0.00 120.40 121.22 2kb4 s VAL 136 Ca 0.18 -0.37 -0.03 0.00 -2.93 0.00 0.00 61.98 58.84 2kb4 s VAL 136 Cb -0.11 -0.94 -0.02 0.00 -1.53 0.00 0.00 36.38 33.78 2kb4 s VAL 136 CO 0.09 0.33 -0.07 0.12 -3.33 0.00 0.00 175.10 172.24 2kb4 s PHE 137 N 0.91 2.96 -0.01 1.54 5.36 0.05 -0.53 117.98 128.26 2kb4 s PHE 137 Ca -0.10 -0.41 0.05 0.00 -0.96 0.00 0.00 56.93 55.51 2kb4 s PHE 137 Cb -0.15 -1.92 -0.01 0.00 -0.34 0.00 0.00 43.02 40.60 2kb4 s PHE 137 CO 0.01 -0.09 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.00 2kb4 s LEU 138 N 0.36 2.05 -1.02 6.12 1.02 -0.65 -0.15 118.68 126.42 2kb4 s LEU 138 Ca -0.06 -0.31 -0.19 0.00 0.02 0.00 0.00 54.13 53.59 2kb4 s LEU 138 Cb -0.15 -0.82 0.11 0.00 0.02 0.00 0.00 46.19 45.36 2kb4 s LEU 138 CO 0.04 0.18 1.29 0.00 0.02 0.00 0.00 176.35 177.88 2kb4 s ALA 139 N -0.43 3.31 -0.63 4.21 0.00 -1.26 -2.57 121.76 124.38 2kb4 s ALA 139 Ca 0.06 -2.75 0.05 0.00 0.00 0.00 0.00 51.96 49.31 2kb4 s ALA 139 Cb -0.06 -4.21 0.15 0.00 0.00 0.00 0.00 23.12 19.00 2kb4 s ALA 139 CO -0.00 -3.12 0.40 0.20 0.00 0.00 0.00 175.76 173.24 2kb4 s GLY 140 N 3.86 2.73 0.02 0.00 0.00 -1.26 -5.02 107.32 107.65 2kb4 s GLY 140 Ca 0.39 -3.60 -0.31 0.00 0.00 0.00 0.00 44.72 41.20 2kb4 s GLY 140 CO -0.07 1.07 1.97 -1.55 0.00 0.00 0.00 173.10 174.51 2kb4 n PRO 141 N 2.43 2.81 -2.85 2.90 -0.04 -1.24 -4.49 135.00 134.51 2kb4 n PRO 141 Ca 0.14 1.03 -0.43 0.00 -0.04 0.00 0.00 63.50 64.20 2kb4 n PRO 141 Cb 0.34 -2.98 -0.04 0.00 -0.04 0.00 0.00 33.50 30.78 2kb4 n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb4 s ALA 142 N 4.43 3.15 0.00 0.55 0.00 0.11 -4.81 121.76 125.19 2kb4 s ALA 142 Ca 0.89 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2kb4 s ALA 142 Cb -0.46 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 18.91 2kb4 s ALA 142 CO 0.43 -2.46 0.00 -1.91 0.00 0.00 0.00 175.76 171.83