#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1p s SER 64 N 0.00 6.18 0.21 1.61 0.01 -1.26 -5.05 113.70 115.40 2k1p s SER 64 Ca 0.00 -1.47 0.08 0.00 1.31 0.00 0.00 55.95 55.88 2k1p s SER 64 Cb 0.00 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 2k1p s SER 64 CO 0.00 -0.85 0.01 -0.94 0.41 0.00 0.00 173.24 171.87 2k1p s SER 65 N 3.19 4.72 -0.26 2.44 1.04 -1.26 -5.01 113.70 118.56 2k1p s SER 65 Ca 0.07 -0.48 0.13 0.00 0.48 0.00 0.00 55.95 56.14 2k1p s SER 65 Cb -0.26 -0.97 0.80 0.00 0.10 0.00 0.00 66.02 65.70 2k1p s SER 65 CO 0.06 0.05 1.77 0.00 0.98 0.00 0.00 173.24 176.10 2k1p n ALA 66 N -0.45 4.10 0.47 5.32 0.00 -1.26 -4.25 120.51 124.43 2k1p n ALA 66 Ca -0.09 -2.06 0.12 0.00 0.00 0.00 0.00 53.44 51.41 2k1p n ALA 66 Cb 0.57 -1.16 0.11 0.00 0.00 0.00 0.00 19.45 18.97 2k1p n ALA 66 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2k1p h ASN 67 N 3.62 0.00 -2.42 0.00 -0.00 -1.95 -3.47 115.58 111.36 2k1p h ASN 67 Ca 0.08 -0.19 -0.12 0.00 -0.00 0.00 0.00 56.30 56.07 2k1p h ASN 67 Cb 2.10 0.00 0.05 0.00 -0.00 0.00 0.00 38.32 40.47 2k1p h ASN 67 CO 0.57 0.10 0.10 -0.90 -0.00 0.00 0.00 177.43 177.30 2k1p n ASP 68 N -2.22 -0.26 -3.76 1.15 5.68 -1.25 -4.67 116.55 111.22 2k1p n ASP 68 Ca 0.02 -1.04 -0.10 0.00 -0.50 0.00 0.00 54.79 53.18 2k1p n ASP 68 Cb 0.46 -0.29 -0.06 0.00 -1.14 0.00 0.00 41.12 40.09 2k1p n ASP 68 CO 0.00 0.00 0.00 -1.66 -1.33 0.00 0.00 177.20 174.21 2k1p s TRP 69 N -1.77 -0.00 -0.04 2.11 1.48 -1.26 -4.97 118.94 114.48 2k1p s TRP 69 Ca 0.21 -0.37 0.05 0.00 -1.06 0.00 0.00 56.10 54.94 2k1p s TRP 69 Cb -0.01 0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.40 2k1p s TRP 69 CO 0.15 -0.65 -0.20 -1.14 -4.06 0.00 0.00 176.95 171.05 2k1p s GLN 70 N -3.84 2.02 0.56 3.25 0.74 -1.26 -1.91 119.66 119.21 2k1p s GLN 70 Ca 0.05 -0.73 -0.10 0.00 0.05 0.00 0.00 55.36 54.63 2k1p s GLN 70 Cb 0.03 -1.77 -0.04 0.00 1.10 0.00 0.00 33.01 32.33 2k1p s GLN 70 CO -0.10 0.33 0.95 0.00 -0.55 0.00 0.00 175.29 175.91 2k1p n LYS 72 N -2.41 0.31 -0.10 0.00 4.81 -1.26 -3.09 118.16 116.42 2k1p n LYS 72 Ca 0.05 0.06 -0.23 0.00 -0.87 0.00 0.00 58.31 57.31 2k1p n LYS 72 Cb 0.54 -1.66 -0.12 0.00 0.02 0.00 0.00 35.03 33.81 2k1p n LYS 72 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2k1p n THR 73 N -2.10 1.57 0.15 3.15 -1.04 -1.26 -4.43 114.28 110.32 2k1p n THR 73 Ca 0.03 -0.23 0.11 0.00 -2.04 0.00 0.00 64.05 61.92 2k1p n THR 73 Cb 0.45 -1.93 -0.02 0.00 -1.82 0.00 0.00 70.33 67.01 2k1p n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k1p n SER 75 N -2.52 -4.98 -4.80 0.00 7.64 -1.18 -4.99 113.62 102.79 2k1p n SER 75 Ca -0.00 0.39 -0.36 0.00 1.01 0.00 0.00 58.87 59.91 2k1p n SER 75 Cb 0.54 -3.94 -0.07 0.00 -1.01 0.00 0.00 64.21 59.73 2k1p n SER 75 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2k1p s ASN 76 N -2.81 6.15 -0.13 6.43 2.47 -1.26 -4.90 114.94 120.90 2k1p s ASN 76 Ca 0.00 0.34 -0.29 0.00 0.42 0.00 0.00 52.86 53.32 2k1p s ASN 76 Cb 0.00 -2.01 -0.01 0.00 -1.45 0.00 0.00 41.25 37.79 2k1p s ASN 76 CO 0.00 0.32 1.02 0.54 -3.72 0.00 0.00 177.10 175.27 2k1p s VAL 77 N -0.51 4.74 0.00 -5.21 0.11 -1.26 -2.38 120.40 115.88 2k1p s VAL 77 Ca 0.12 2.02 0.00 0.00 -2.93 0.00 0.00 61.98 61.19 2k1p s VAL 77 Cb -0.12 -4.30 0.00 0.00 -1.53 0.00 0.00 36.38 30.43 2k1p s VAL 77 CO 0.02 -0.03 0.00 0.59 -3.33 0.00 0.00 175.10 172.35 2k1p n ASN 78 N 5.26 0.00 -4.77 3.54 3.02 -0.80 -4.97 115.26 116.53 2k1p n ASN 78 Ca 0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.34 2k1p n ASN 78 Cb 0.48 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.75 2k1p n ASN 78 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2k1p s TRP 79 N 0.01 2.62 -1.96 3.10 -0.00 -1.26 -4.71 118.94 116.74 2k1p s TRP 79 Ca 0.00 1.34 0.07 0.00 -0.00 0.00 0.00 56.10 57.51 2k1p s TRP 79 Cb 0.00 -3.08 0.39 0.00 -0.00 0.00 0.00 33.47 30.78 2k1p s TRP 79 CO 0.00 -1.92 0.88 0.00 -0.00 0.00 0.00 176.95 175.91 2k1p n ALA 80 N -3.57 1.73 -2.18 5.86 0.00 -1.26 -2.77 120.51 118.32 2k1p n ALA 80 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 2k1p n ALA 80 Cb 0.55 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.90 2k1p n ALA 80 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2k1p n ARG 81 N -1.02 0.41 -2.03 0.00 1.85 -1.26 -3.86 116.66 110.74 2k1p n ARG 81 Ca 0.05 -0.77 -0.40 0.00 -1.00 0.00 0.00 57.85 55.73 2k1p n ARG 81 Cb 0.03 0.42 -0.01 0.00 -1.05 0.00 0.00 32.46 31.84 2k1p n ARG 81 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2k1p s ARG 82 N 0.04 4.05 0.16 2.89 0.52 -1.11 -4.92 118.95 120.58 2k1p s ARG 82 Ca 0.03 2.22 -0.04 0.00 -0.52 0.00 0.00 55.73 57.41 2k1p s ARG 82 Cb 0.14 -2.84 0.02 0.00 0.52 0.00 0.00 34.95 32.78 2k1p s ARG 82 CO -0.04 -0.44 1.41 0.77 0.02 0.00 0.00 175.30 177.02 2k1p h SER 83 N 2.84 0.60 -5.22 0.23 0.02 -1.97 -3.45 113.55 106.61 2k1p h SER 83 Ca -0.50 -0.39 -0.08 0.00 -0.84 0.00 0.00 61.79 59.99 2k1p h SER 83 Cb 1.24 -0.18 -0.12 0.00 0.14 0.00 0.00 62.40 63.49 2k1p h SER 83 CO 0.63 1.14 -0.22 -1.83 -1.14 0.00 0.00 176.83 175.40 2k1p s GLU 84 N -3.69 1.24 0.59 3.45 1.03 -1.26 -1.27 118.70 118.79 2k1p s GLU 84 Ca -0.07 -1.11 -0.20 0.00 0.03 0.00 0.00 54.97 53.63 2k1p s GLU 84 Cb 0.10 0.42 -0.03 0.00 -0.80 0.00 0.00 34.13 33.82 2k1p s GLU 84 CO 0.85 -0.48 1.31 0.00 -1.33 0.00 0.00 175.26 175.62 2k1p n ASN 86 N -1.46 3.22 -0.06 0.00 6.94 -1.26 -2.37 115.26 120.27 2k1p n ASN 86 Ca 0.13 -1.96 -0.11 0.00 -0.02 0.00 0.00 54.58 52.63 2k1p n ASN 86 Cb 0.47 -0.17 -0.04 0.00 -2.36 0.00 0.00 39.78 37.69 2k1p n ASN 86 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2k1p n MET 87 N 1.36 0.35 0.02 -3.83 2.81 -1.26 -4.73 117.12 111.84 2k1p n MET 87 Ca 0.17 0.15 0.11 0.00 -1.81 0.00 0.00 57.70 56.31 2k1p n MET 87 Cb 0.58 -1.10 -0.09 0.00 -0.71 0.00 0.00 33.22 31.89 2k1p n MET 87 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k1p n ASN 89 N -2.18 -4.96 -4.69 0.00 4.05 -1.00 -4.96 115.26 101.53 2k1p n ASN 89 Ca -0.01 0.21 -0.42 0.00 0.45 0.00 0.00 54.58 54.81 2k1p n ASN 89 Cb 0.51 -3.99 -0.03 0.00 1.23 0.00 0.00 39.78 37.50 2k1p n ASN 89 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2k1p s THR 90 N -2.72 3.92 0.26 -0.44 2.01 -1.26 -4.52 115.64 112.89 2k1p s THR 90 Ca 0.00 1.28 -0.31 0.00 0.31 0.00 0.00 61.69 62.98 2k1p s THR 90 Cb 0.00 -3.82 -0.13 0.00 0.01 0.00 0.00 72.50 68.56 2k1p s THR 90 CO 0.00 0.00 1.43 -2.65 -0.69 0.00 0.00 174.62 172.71 2k1p n PRO 91 N 5.25 2.17 0.00 4.92 -0.02 -1.26 -0.54 135.00 145.52 2k1p n PRO 91 Ca 0.12 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2k1p n PRO 91 Cb 0.45 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2k1p n PRO 91 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2k1p n LYS 92 N 1.87 0.00 -3.48 -0.52 4.81 -0.39 -1.38 118.16 119.06 2k1p n LYS 92 Ca 0.10 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.28 2k1p n LYS 92 Cb 0.33 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.29 2k1p n LYS 92 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k1p n TYR 93 N -1.82 1.64 -3.73 5.64 4.01 -1.26 -4.85 117.16 116.79 2k1p n TYR 93 Ca 0.00 -3.88 -0.37 0.00 -0.16 0.00 0.00 57.90 53.49 2k1p n TYR 93 Cb 0.00 -0.36 -0.12 0.00 -0.31 0.00 0.00 39.34 38.55 2k1p n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k1p s ALA 94 N -1.39 3.16 0.00 -0.72 0.00 -0.48 -5.23 121.76 117.09 2k1p s ALA 94 Ca 0.34 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2k1p s ALA 94 Cb 0.08 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 21.03 2k1p s ALA 94 CO -0.11 -0.73 0.09 0.36 0.00 0.00 0.00 175.76 175.37